#	AA	SS3	SS8	ASA 	HSEa-u	HSEa-d	CN13	theta	tau 	phi 	psi 	P(3-C)	P(3-E)	P(3-H)	P(8-C)	P(8-S)	P(8-T)	P(8-H)	P(8-G)	P(8-I)	P(8-E)	P(8-B)	
0	M	C	C	85.20	8.98	9.62	19.72	116.56	-149.72	-89.96	140.16	98.91	0.97	0.12	98.17	0.80	0.07	0.07	0.02	0.00	0.41	0.45
1	D	C	C	87.07	2.40	12.25	15.40	113.38	-122.03	-80.53	142.18	96.41	0.85	2.74	95.42	0.73	0.28	2.71	0.08	0.00	0.26	0.53
2	P	H	H	96.00	2.97	9.47	14.13	92.90	-122.25	-59.48	-37.12	8.29	0.05	91.65	2.26	0.98	4.89	90.63	1.17	0.01	0.02	0.02
3	Q	H	H	125.39	1.17	11.70	12.81	92.15	52.97	-65.50	-38.96	4.87	0.06	95.07	1.06	0.67	3.16	93.64	1.39	0.01	0.03	0.02
4	K	H	H	112.08	2.10	12.36	15.07	92.22	50.84	-65.98	-39.80	1.36	0.05	98.59	0.42	0.24	0.74	97.42	1.13	0.00	0.04	0.01
5	N	H	H	73.97	3.86	12.11	17.54	91.92	50.81	-64.57	-41.03	0.75	0.07	99.17	0.19	0.12	0.46	98.61	0.54	0.01	0.06	0.01
6	Y	H	H	124.71	2.83	14.10	17.55	91.71	50.23	-64.51	-41.00	0.58	0.06	99.35	0.11	0.09	0.39	99.00	0.35	0.01	0.05	0.01
7	E	H	H	104.40	1.89	15.30	16.90	91.74	50.46	-64.22	-40.80	0.78	0.07	99.15	0.13	0.09	0.57	98.78	0.35	0.01	0.06	0.01
8	M	H	H	90.18	3.46	14.53	19.06	92.04	50.15	-64.90	-40.54	1.20	0.04	98.75	0.16	0.11	0.94	98.24	0.50	0.01	0.03	0.01
9	N	H	H	71.39	6.13	13.51	21.09	92.43	51.75	-67.16	-34.33	3.54	0.04	96.41	0.33	0.23	2.96	95.58	0.83	0.02	0.03	0.01
10	N	H	H	98.56	3.35	15.37	19.33	93.46	54.70	-73.77	-22.09	16.56	0.07	83.36	0.84	0.88	14.87	81.82	1.43	0.07	0.03	0.05
11	Q	H	H	115.33	2.98	15.39	18.83	98.80	56.74	-84.54	-10.40	39.85	0.55	59.60	4.59	5.03	30.22	57.17	2.22	0.18	0.21	0.37
12	R	C	H	114.04	6.79	13.18	21.14	109.76	81.79	-88.53	115.36	53.83	6.01	40.16	27.16	15.25	14.07	34.15	3.43	0.23	2.19	3.52
13	E	C	C	96.11	6.77	14.10	21.90	106.56	51.24	-80.12	90.06	57.47	3.39	39.14	40.38	6.50	10.72	31.12	7.99	0.02	1.91	1.37
14	S	H	H	57.15	7.03	14.67	22.59	100.59	48.27	-76.06	-18.82	47.87	3.04	49.09	24.53	7.40	16.19	33.73	15.15	0.07	1.81	1.13
15	W	H	H	141.28	6.24	15.60	22.69	97.49	60.81	-76.43	-7.65	42.68	3.51	53.81	13.66	8.09	20.58	35.35	18.54	0.27	2.34	1.16
16	C	H	H	50.96	7.61	13.40	22.55	106.92	87.61	-80.83	89.04	40.60	6.60	52.80	19.35	7.51	14.79	36.32	15.33	0.23	4.60	1.86
17	A	H	H	53.65	5.59	15.71	22.56	94.51	56.13	-66.89	-31.81	23.95	9.91	66.15	10.01	5.34	10.41	48.77	15.20	0.75	7.79	1.74
18	V	H	H	61.94	7.68	13.30	22.40	92.97	55.36	-69.38	-34.12	24.03	10.77	65.20	8.20	4.72	12.07	48.09	15.24	1.13	8.85	1.71
19	E	H	H	96.17	6.11	12.88	20.33	93.35	54.77	-76.54	-21.40	30.26	9.52	60.22	11.02	5.77	14.60	45.22	13.13	0.65	7.91	1.70
20	L	C	H	111.30	3.04	12.94	16.95	97.09	57.36	-84.99	-12.71	53.82	6.93	39.25	18.84	16.66	20.86	29.44	6.87	0.57	4.14	2.62
21	S	C	C	51.78	4.87	10.07	16.93	117.36	70.09	-106.02	129.49	93.43	4.43	2.14	62.03	27.48	3.74	1.24	0.93	0.00	2.13	2.45
22	P	C	T	113.12	2.11	10.25	14.00	94.04	-140.03	-65.17	-16.49	89.28	0.59	10.13	8.23	12.30	68.96	3.28	6.59	0.00	0.35	0.29
23	L	C	T	132.62	1.36	11.10	12.76	97.40	60.64	-88.05	-2.93	86.99	1.15	11.86	10.16	12.07	64.94	4.35	7.26	0.01	0.70	0.51
24	Q	C	C	97.50	5.98	8.83	16.53	116.00	92.83	-91.53	134.00	77.58	6.81	15.61	43.72	25.60	8.65	6.64	8.43	0.03	3.03	3.89
25	D	C	C	104.05	2.83	11.56	15.81	113.18	-150.32	-96.22	123.75	72.79	6.55	20.66	50.70	10.10	11.63	8.64	12.24	0.01	4.11	2.56
26	W	C	C	140.17	6.94	10.31	18.56	106.12	-155.50	-92.01	61.07	68.17	7.72	24.11	30.85	15.09	23.35	9.34	13.76	0.08	4.80	2.73
27	C	C	C	69.45	5.67	11.02	18.37	114.22	102.01	-94.58	126.89	67.87	8.25	23.88	36.88	16.64	14.74	11.25	12.22	0.10	4.73	3.43
28	K	C	C	101.91	5.64	10.24	17.52	110.95	-133.67	-79.99	128.68	57.41	4.77	37.82	30.74	15.64	12.08	20.10	16.82	0.06	2.69	1.86
29	S	C	T	83.99	2.36	11.19	14.81	93.91	-109.64	-67.54	-24.49	50.63	2.31	47.07	12.61	9.94	27.80	20.37	26.77	0.18	1.39	0.92
30	E	C	T	141.82	1.90	11.73	14.19	96.13	54.82	-86.87	-4.42	49.68	4.05	46.27	13.79	10.11	26.21	19.52	25.95	0.36	2.66	1.41
31	R	C	C	113.78	8.31	8.72	18.14	114.34	90.34	-93.04	127.05	60.03	7.69	32.28	37.27	12.89	10.70	15.64	15.88	0.10	4.66	2.86
32	K	C	C	135.36	3.34	12.40	17.48	118.25	-161.58	-101.41	138.06	77.85	16.21	5.94	62.68	8.66	5.28	3.91	2.34	0.01	10.69	6.43
33	H	C	C	112.61	7.57	9.87	18.75	115.85	-133.45	-92.21	134.92	69.35	27.64	3.01	56.68	7.99	2.69	1.96	1.26	0.01	12.97	16.46
34	H	C	C	100.69	6.25	9.88	17.88	114.01	-139.94	-98.62	121.64	90.28	5.81	3.92	77.85	8.95	3.21	2.23	1.68	0.00	3.47	2.61
35	G	C	G	49.94	3.33	11.89	16.58	100.10	-146.57	-70.30	-28.92	58.72	1.51	39.77	26.35	10.97	20.97	9.74	30.40	0.01	0.76	0.79
36	E	H	G	137.59	2.54	12.01	15.51	98.67	48.76	-82.30	-3.80	35.63	0.97	63.40	8.62	6.40	20.39	10.80	52.87	0.01	0.58	0.32
37	N	H	G	89.67	5.98	10.69	18.16	101.31	89.77	-79.06	-2.98	32.61	1.16	66.23	8.17	6.00	18.47	10.97	55.29	0.02	0.71	0.37
38	F	H	G	123.23	6.59	11.81	19.63	100.51	48.63	-94.05	35.35	44.64	2.64	52.72	17.82	9.87	19.21	8.81	41.75	0.03	1.49	1.02
39	K	C	C	116.92	4.98	12.52	19.28	117.48	132.29	-91.70	136.53	83.80	9.41	6.79	53.64	24.94	4.30	3.63	3.10	0.02	3.37	7.00
40	S	C	C	47.54	8.02	10.21	19.77	120.28	-138.09	-87.58	156.79	88.98	6.54	4.48	75.25	10.39	2.32	3.46	1.21	0.00	2.53	4.84
41	S	H	H	74.42	3.07	13.28	17.47	93.88	-118.83	-65.29	-30.22	36.35	1.02	62.63	7.97	9.34	20.31	49.45	11.50	0.34	0.48	0.60
42	V	H	H	81.26	4.26	12.47	17.99	93.37	55.28	-66.77	-38.65	31.63	0.74	67.63	4.18	5.05	21.90	55.20	12.46	0.40	0.41	0.40
43	F	H	H	97.18	5.55	11.27	18.41	93.34	49.90	-68.30	-37.91	26.55	1.96	71.49	6.83	5.00	15.24	56.15	14.18	0.58	1.29	0.73
44	N	H	H	93.86	3.20	11.80	16.22	93.86	54.39	-69.07	-32.09	29.49	3.04	67.46	13.59	7.07	11.86	56.13	8.06	0.34	1.82	1.12
45	A	H	H	73.37	2.59	10.43	14.22	94.26	57.97	-73.24	-23.32	44.11	3.83	52.06	20.25	9.76	16.70	42.81	6.70	0.20	2.15	1.42
46	K	C	H	137.51	2.85	9.70	13.98	98.26	58.27	-83.74	-8.56	55.45	4.26	40.30	30.49	9.93	16.54	32.84	6.07	0.11	2.18	1.83
47	Q	C	C	130.82	2.50	8.81	13.03	106.19	93.92	-79.49	95.53	69.07	3.27	27.66	28.33	14.77	26.64	22.14	4.95	0.09	1.57	1.50
48	G	C	C	60.35	1.36	10.82	12.71	105.94	12.77	80.59	3.32	87.45	2.42	10.13	38.10	21.59	28.52	5.74	3.72	0.01	1.11	1.20
49	Q	C	C	125.58	2.81	8.71	13.53	115.35	129.59	-89.24	134.69	97.67	1.61	0.72	74.73	22.28	0.80	0.43	0.26	0.00	0.67	0.82
50	P	C	C	94.16	3.72	8.14	13.85	113.80	-110.08	-72.24	146.66	96.40	1.89	1.71	89.48	5.10	1.76	0.86	0.71	0.00	0.86	1.22
51	E	C	C	145.11	1.82	9.60	12.88	111.95	-112.24	-81.50	135.64	94.64	2.40	2.96	86.02	5.91	2.60	1.48	1.28	0.00	1.15	1.55
52	S	C	C	85.21	2.81	7.55	12.34	109.73	-119.78	-82.66	123.88	87.91	3.07	9.02	60.98	17.77	8.90	3.99	4.96	0.00	1.51	1.89
53	E	C	C	134.10	2.45	8.37	12.37	110.75	-165.57	-96.41	108.21	81.54	3.37	15.10	50.17	19.88	11.54	6.42	8.36	0.01	1.67	1.94
54	A	C	C	84.39	1.99	8.93	12.27	109.54	-123.51	-79.50	132.47	72.81	3.08	24.12	39.73	16.23	17.12	7.09	16.75	0.01	1.63	1.45
55	R	C	C	164.39	2.63	8.41	12.74	105.13	-117.60	-86.85	41.27	68.25	3.71	28.04	34.13	14.22	20.29	6.83	20.93	0.02	2.07	1.52
56	C	C	C	85.38	4.30	7.89	13.91	113.59	57.24	-92.21	124.90	68.96	6.45	24.59	37.59	14.50	17.20	5.70	18.94	0.02	4.07	1.99
57	T	C	C	105.46	1.98	10.18	13.29	101.98	-159.79	-94.60	5.91	74.41	11.66	13.94	45.76	18.57	10.39	4.35	9.86	0.02	8.43	2.62
58	F	C	C	123.16	5.13	7.70	14.65	115.65	101.30	-97.94	135.50	72.89	21.83	5.28	57.29	10.76	3.90	2.37	3.16	0.01	18.10	4.40
59	E	C	C	142.99	1.90	11.20	14.48	116.99	-150.12	-100.96	132.31	71.79	26.07	2.15	65.37	4.25	1.26	1.27	0.97	0.00	22.89	3.99
60	V	C	C	89.84	6.71	7.60	15.80	115.13	-137.64	-90.77	131.91	74.79	21.66	3.55	67.99	4.10	1.92	2.13	1.49	0.00	18.48	3.88
61	N	C	C	110.29	2.88	10.22	14.73	112.05	-151.57	-92.03	131.00	86.89	6.00	7.12	69.44	11.80	5.69	3.42	3.63	0.00	4.48	1.54
62	D	C	C	116.44	2.21	9.40	13.15	102.08	-151.38	-84.96	10.15	82.07	3.73	14.19	55.84	16.31	10.16	6.05	8.03	0.01	2.28	1.33
63	K	C	C	135.22	3.04	9.59	14.29	105.82	102.90	-85.86	73.05	78.93	4.28	16.79	54.47	13.45	11.04	7.44	9.35	0.01	2.71	1.53
64	T	C	C	88.23	3.76	10.40	15.81	110.56	112.94	-94.12	105.77	76.47	7.17	16.36	48.73	18.13	9.59	8.79	7.57	0.04	3.76	3.41
65	H	C	C	86.96	7.42	8.65	17.54	108.93	49.26	-84.29	109.06	83.59	4.62	11.80	67.59	12.21	3.65	8.56	3.37	0.00	2.19	2.42
66	R	C	H	152.85	2.32	12.99	16.32	93.94	-152.92	-67.36	-28.59	51.64	2.67	45.69	21.90	9.00	20.78	25.54	20.08	0.07	1.58	1.05
67	E	H	H	96.14	5.74	11.17	18.41	94.73	58.99	-76.92	-18.02	46.28	3.70	50.02	17.33	8.69	20.67	25.09	24.46	0.16	2.25	1.36
68	K	H	G	95.27	8.14	10.05	19.39	96.02	75.11	-71.83	-23.00	38.24	4.39	57.37	21.55	7.56	10.73	22.98	33.13	0.07	2.78	1.22
69	R	C	G	151.85	3.08	12.74	17.08	96.58	69.42	-73.28	-15.95	51.13	4.21	44.66	20.00	9.70	22.44	18.78	24.71	0.21	2.51	1.65
70	H	C	T	119.18	4.09	12.33	17.65	98.29	60.16	-91.22	-5.93	63.08	4.89	32.03	21.47	14.74	28.17	12.87	17.53	0.19	2.59	2.44
71	F	C	S	80.94	9.23	7.76	18.22	119.83	85.98	-101.83	134.84	96.00	2.83	1.17	41.16	53.67	1.51	0.65	0.39	0.00	1.12	1.49
72	P	C	C	88.00	2.57	11.77	15.51	113.67	-109.62	-67.96	151.28	95.54	1.38	3.07	79.24	9.57	6.81	1.09	1.83	0.00	0.79	0.66
73	N	C	C	121.57	2.55	9.48	13.83	108.96	-104.73	-72.12	133.84	88.95	2.68	8.38	58.87	14.86	15.00	2.30	6.13	0.00	1.39	1.45
74	K	C	C	149.36	2.40	8.86	12.73	109.47	-145.49	-88.07	113.52	85.60	3.61	10.78	47.62	19.48	18.73	3.04	7.46	0.00	1.91	1.76
75	T	C	C	94.27	3.00	8.12	12.74	112.37	66.14	-96.91	123.39	85.32	3.42	11.26	48.95	18.86	17.85	3.64	7.27	0.00	1.83	1.60
76	S	C	C	81.34	2.85	8.66	13.08	108.67	-154.29	-93.85	92.24	82.76	3.61	13.63	48.12	18.60	16.44	5.79	7.48	0.01	2.05	1.52
77	Y	C	C	156.65	3.01	8.77	13.39	110.33	117.15	-92.18	113.24	74.23	5.76	20.00	43.28	14.60	16.85	8.96	10.64	0.01	3.74	1.92
78	S	C	C	73.47	4.17	8.47	14.28	112.16	83.60	-93.20	127.61	67.59	9.44	22.97	43.03	11.79	13.06	9.70	13.08	0.02	7.03	2.28
79	H	C	C	135.72	3.14	8.95	13.66	108.96	-150.25	-92.52	101.75	61.69	14.70	23.61	39.71	11.35	11.31	10.13	13.07	0.04	11.69	2.70
80	L	C	C	113.84	3.87	7.92	13.51	112.07	-143.62	-91.61	122.22	60.52	19.31	20.17	42.66	8.79	9.46	10.00	9.87	0.05	15.72	3.44
81	A	C	C	79.46	3.18	9.20	14.10	114.14	-158.33	-97.44	125.76	72.58	18.56	8.86	65.37	2.43	4.42	6.14	2.48	0.01	14.88	4.28
82	I	C	C	108.50	5.84	10.84	18.14	110.32	-156.32	-91.77	114.19	98.56	1.33	0.11	98.32	0.33	0.15	0.06	0.02	0.00	0.99	0.13