4pkd: virtual backbone torsions, dot-bracket notation, sugar puckers, glycosidic bond, suiteness calculated using X3DNA-DSSR

#	dbn	Residue	PTPoutlier	puckering	sugar class	Glyco	Eta	Theta	Eta'	Theta'	Eta"	Theta"	Suiteness
1	(	1..V.GTP.59.		C3'-endo	~C3'-endo	anti							0
2	(	1..V.G.60.		O4'-endo	--	anti	173.72	219.209	190.124	208.547	229.224	223.897	0
3	(	1..V.A.61.		C3'-endo	~C3'-endo	anti	163.114	206.087	167.564	207.792	199.076	235.091	0.789
4	(	1..V.U.62.		C3'-endo	~C3'-endo	anti	163.36	211.051	173.735	209.931	211.84	231.669	0.483
5	(	1..V.C.63.		C3'-endo	~C3'-endo	anti	165.484	216.751	178.282	214.273	215.264	248.381	0.334
6	(	1..V.C.64.		C3'-endo	~C3'-endo	anti	163.555	207.492	176.496	209.75	229.424	249.484	0.505
7	.	1..V.A.65.		C3'-endo	~C3'-endo	anti	168.64	216.143	179.314	221.207	232.899	254.22	0.415
8	.	1..V.U.66.		C3'-endo	~C3'-endo	anti	174.128	207.496	191.351	221.459	239.28	225.348	0.514
9	.	1..V.U.67.		C2'-endo	~C2'-endo	anti	230.086	99.82	231.461	82.037	222.25	67.221	0.908
10	.	1..V.G.68.		C3'-endo	~C3'-endo	anti	144.715	228.869	152.619	232.363	140.404	251.44	0.089
11	.	1..V.C.69.		C2'-endo	~C2'-endo	anti	232.22	140.737	251.646	124.076	236.829	140.745	0.617
12	.	1..V.A.70.		C3'-endo	~C3'-endo	anti	180.23	224.092	180.758	220.564	187.973	257.918	0.36
13	.	1..V.C.71.		C3'-endo	~C3'-endo	anti	170.258	91.598	183.922	67.035	238.79	298.828	0.138
14	.	1..V.U.72.	***	C3'-endo	~C3'-endo	anti	346.413	160.374	357.306	168.108	125.177	173.056	0
15	.	1..V.C.73.		C3'-endo	~C3'-endo	syn	175.269	222.998	164.607	235.649	160.308	230.834	0
16	.	1..V.C.74.		C2'-exo	~C3'-endo	anti	154.801	187.897	189.03	178.609	203.305	187.678	0.235
17	)	1..V.G.75.		C2'-exo	~C3'-endo	anti	335.128	195.76	328.71	196.816	301.423	220.994	0
18	)	1..V.G.76.		C3'-endo	~C3'-endo	anti	175.328	216.281	187.248	221.008	222.647	232.018	0.027
19	)	1..V.A.77.		C3'-endo	~C3'-endo	anti	179.44	217.034	192.947	216.698	212.991	245.992	0.129
20	)	1..V.U.78.		C3'-endo	~C3'-endo	anti	154.891	208.727	168.211	208.83	212.174	240.229	0.57
21	)	1..V.C.79.		C3'-endo	~C3'-endo	anti	162.497	203.328	178.583	201.957	226.921	221.936	0.632
22	)	1..V.C.80.		C3'-endo	~C3'-endo	anti	170.143	199.764	178.626	203.126	211.75	225.531	0.804
23	(	1..V.A.81.		C3'-endo	~C3'-endo	anti	174.951	217.332	179.649	218.832	208.421	246.108	0
24	(	1..V.G.82.		C3'-endo	~C3'-endo	anti	160.61	215.065	175.346	214.837	220.178	242.452	0.873
25	(	1..V.G.83.		C3'-endo	~C3'-endo	anti	172.707	213.181	185.371	218.053	229.955	240.499	0.25
26	(	1..V.A.84.		C3'-endo	~C3'-endo	anti	166.61	227.912	181.482	212.927	216.728	220.539	0.593
27	(	1..V.G.85.		C2'-exo	~C3'-endo	anti	166.994	193.536	170.916	209.363	197.967	250.896	0
28	(	1..V.A.86.		C3'-endo	~C3'-endo	anti	172.193	235.53	196.432	225.591	246.33	264.298	0
29	.	1..V.U.87.		C2'-exo	~C3'-endo	anti	162.2	112.4	175.123	112.497	236.413	85.55	0
30	.	1..V.A.88.	***	C1'-exo	~C2'-endo	anti	142.636	284.835	139.24	275.752	121.422	310.648	0
31	(	1..V.C.89.		C3'-endo	~C3'-endo	anti	141.636	210.23	181.845	213.027	227.139	234.105	0.195
32	(	1..V.C.90.		C3'-endo	~C3'-endo	anti	164.521	207.874	173.305	212.058	206.261	237.788	0.868
33	(	1..V.A.91.		C3'-endo	~C3'-endo	anti	176.099	225.974	185.607	226.401	219.228	268.28	0.826
34	(	1..V.U.92.		C3'-endo	~C3'-endo	anti	158.424	1.801	178.581	345.252	240.371	311.499	0.83
35	.	1..V.G.93.		C4'-exo	--	syn	225.785	343.617	252.208	2.143	321.182	305.432	0
36	.	1..V.A.94.	***	C2'-endo	~C2'-endo	anti	249.618	319.498	277.01	249.333	345.558	205	0
37	.	1..V.U.95.	***	C2'-endo	~C2'-endo	anti	296.966	164.036	20.96	161.703	61.312	156.744	0.01
38	.	1..V.C.96.		C2'-endo	~C2'-endo	anti	185.177	128.858	185.806	117.52	175.145	133.474	0.121
39	.	1..V.A.97.		C2'-endo	~C2'-endo	anti	192.433	115.736	212.629	57.247	206.461	349.278	0.248
40	.	1..V.C.98.		C3'-endo	~C3'-endo	anti	335.963	208.599	348.975	210.54	60.082	289.993	0.321
41	.	1..V.G.99.		C1'-exo	~C2'-endo	syn	198.038	262.059	213.764	247.341	292.11	235.176	0.766
42	.	1..V.A.100.		C3'-endo	~C3'-endo	anti	253.829	172.002	266.685	193.536	259.142	267.419	0
43	.	1..V.A.101.		C2'-exo	~C3'-endo	anti	157.684	247.875	182.288	254.407	263.637	290.233	0.567
44	.	1..V.G.102.		C3'-endo	~C3'-endo	anti	165.776	221.309	205.6	216.842	270.808	261.928	0.04
45	)	1..V.G.103.		C3'-endo	~C3'-endo	anti	163.871	224.087	182.834	225.601	249.755	264.565	0.934
46	)	1..V.U.104.		C3'-endo	~C3'-endo	anti	162.719	218.023	179.067	218.574	236.574	240.796	0.597
47	)	1..V.G.105.		C3'-endo	~C3'-endo	anti	165.108	234.223	177.497	224.047	215.106	245.879	0.515
48	)	1..V.G.106.		C2'-exo	~C3'-endo	anti	170.781	199.477	181.716	211.645	223.717	264.323	0
49	.	1..V.U.107.		C3'-endo	~C3'-endo	anti	161.818	219.03	186.23	222.339	252.127	262.152	0.689
50	)	1..V.U.108.		C3'-endo	~C3'-endo	anti	164.483	222.552	182.277	221.44	238.169	251.262	0.873
51	)	1..V.U.109.		C3'-endo	~C3'-endo	anti	167.381	198.31	186.101	195.493	236.083	199.762	0.826
52	)	1..V.U.110.		C3'-endo	~C3'-endo	anti	168.003	218.372	172.205	211.694	186.394	235.457	0.1
53	)	1..V.C.111.		C2'-exo	~C3'-endo	anti	169.599	207.675	179.941	214.17	220.55	240.714	0.393
54	)	1..V.C.112.		C3'-endo	~C3'-endo	anti	166.218	217.009	185.216	219.722	224.572	244.845	0.047
55	)	1..V.U.113.		C3'-endo	~C3'-endo	anti							0