#	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	S	C	C	71.47	5.88	15.46	22.70	113.26	-156.83	-101.54	133.82	99.73	0.27	0.01	99.66	0.12	0.02	0.00	0.00	0.00	0.18	0.01
1	H	C	C	91.56	10.27	12.28	23.44	121.24	170.97	-110.55	137.82	69.89	29.70	0.41	66.17	1.92	0.81	0.11	0.24	0.00	29.73	1.03
2	T	E	E	77.52	6.13	16.56	24.02	120.20	-150.05	-104.03	134.88	39.59	60.05	0.36	32.02	6.40	0.62	0.07	0.26	0.00	60.04	0.59
3	V	E	E	34.44	18.39	12.69	30.86	122.82	-163.74	-115.67	133.14	9.40	90.43	0.17	8.69	0.56	0.07	0.08	0.06	0.00	90.27	0.27
4	K	E	E	107.38	6.65	21.90	29.45	120.02	-159.71	-111.29	131.00	5.07	94.76	0.17	4.84	0.23	0.04	0.09	0.04	0.00	94.54	0.22
5	I	E	E	32.25	18.95	14.48	33.36	118.18	-158.63	-104.00	125.11	18.14	81.34	0.51	17.58	0.64	0.13	0.23	0.17	0.00	80.64	0.60
6	Y	C	E	85.73	10.38	18.31	29.40	115.63	-165.97	-99.36	147.40	55.68	39.83	4.48	39.08	12.16	4.38	0.91	3.32	0.00	39.22	0.93
7	D	C	S	98.13	5.90	20.72	27.03	99.84	-78.47	-80.49	-7.32	74.30	20.60	5.10	13.24	39.59	22.24	0.70	3.95	0.02	19.09	1.17
8	T	C	C	63.63	9.66	20.56	30.26	114.94	53.86	-107.99	121.10	73.65	19.97	6.37	34.02	20.06	21.15	1.19	5.14	0.02	16.72	1.70
9	C	C	C	14.70	22.73	14.24	36.23	112.43	119.61	-93.41	126.18	75.00	22.45	2.55	64.83	6.10	3.23	0.83	1.84	0.00	17.83	5.33
10	I	C	C	62.09	12.11	22.84	34.84	111.29	-158.92	-97.08	114.40	73.22	23.77	3.01	37.75	16.36	20.71	1.16	1.91	0.07	16.42	5.62
11	G	C	S	30.67	11.21	22.89	33.75	98.55	-11.19	78.05	12.38	87.08	9.67	3.24	22.76	39.47	26.01	1.13	1.79	0.01	6.95	1.87
12	C	C	C	18.22	20.86	15.71	35.72	107.61	123.38	-88.46	81.03	87.94	2.66	9.40	70.65	12.64	3.99	8.54	1.58	0.00	1.12	1.47
13	T	H	H	70.17	8.31	21.50	30.24	94.28	75.95	-65.37	-35.72	28.42	0.67	70.92	9.46	11.74	9.19	67.18	1.76	0.07	0.21	0.38
14	Q	H	H	86.07	6.70	23.76	30.59	92.66	53.66	-66.81	-38.99	16.67	0.81	82.53	8.47	3.91	5.65	78.95	2.17	0.12	0.44	0.29
15	C	H	H	5.29	23.45	17.07	40.55	92.62	51.65	-65.83	-42.25	4.55	0.97	94.47	2.36	0.88	2.19	89.87	3.61	0.06	0.87	0.15
16	V	H	H	25.87	19.39	18.37	37.08	91.88	52.33	-63.93	-39.01	3.41	1.28	95.32	1.41	0.55	1.87	90.96	3.71	0.07	1.28	0.14
17	R	H	H	157.07	2.61	23.74	26.37	91.69	53.04	-66.65	-32.14	7.96	1.06	90.98	1.63	0.75	5.97	87.58	2.75	0.17	0.94	0.22
18	A	H	H	37.70	11.73	19.00	31.24	93.54	51.48	-80.80	-19.75	20.61	0.61	78.79	1.53	2.31	17.23	76.84	1.15	0.31	0.21	0.41
19	C	C	C	8.51	24.05	10.45	33.83	111.44	84.18	-96.72	114.55	97.85	1.09	1.06	68.12	28.13	1.45	0.98	0.18	0.00	0.37	0.76
20	P	C	T	91.68	3.92	20.68	25.44	93.31	-162.68	-66.91	-20.03	90.16	0.75	9.09	18.34	17.76	53.64	4.36	5.10	0.00	0.43	0.38
21	T	C	T	58.83	9.95	17.57	28.13	98.40	50.56	-94.91	-0.20	87.51	0.98	11.51	5.77	24.05	57.73	5.38	5.96	0.01	0.57	0.52
22	D	C	C	82.07	9.71	21.08	30.95	95.56	-115.62	58.07	44.09	81.66	5.93	12.41	43.27	19.07	19.37	3.84	8.87	0.01	4.34	1.24
23	V	C	C	11.53	21.31	18.31	39.74	96.96	146.13	-83.41	-25.02	70.93	19.09	9.98	34.17	28.26	8.90	3.94	5.66	0.02	17.65	1.38
24	L	E	E	7.18	24.72	16.83	41.72	127.04	42.26	-125.74	138.87	25.91	64.58	9.51	16.65	7.61	4.84	4.18	4.54	0.05	60.34	1.80
25	E	E	E	86.88	7.61	25.91	34.18	127.54	-170.80	-123.27	142.41	18.72	76.41	4.87	14.87	3.05	1.63	2.19	2.03	0.00	75.35	0.88
26	M	E	E	56.33	18.55	16.34	34.23	115.13	-127.96	-89.08	129.72	21.18	76.46	2.36	17.92	2.97	1.00	1.39	1.04	0.00	73.17	2.52
27	V	C	E	38.85	11.66	16.32	29.62	121.75	-164.19	-114.43	135.11	49.76	49.58	0.66	42.62	5.63	0.68	0.25	0.37	0.00	49.17	1.27
28	P	C	C	81.05	5.06	18.08	23.97	113.24	-109.76	-67.46	143.26	67.26	30.03	2.71	54.18	7.78	3.78	0.71	1.88	0.00	30.24	1.43
29	W	C	C	86.88	15.06	8.76	23.18	110.77	-136.22	-95.47	123.09	73.71	15.88	10.41	44.95	14.15	14.99	2.65	7.87	0.02	10.80	4.57
30	D	C	T	120.36	1.57	13.88	15.75	102.71	-36.90	-72.72	62.19	84.27	5.33	10.40	19.05	17.66	47.68	2.57	7.67	0.02	3.58	1.74
31	G	C	T	62.85	1.14	13.28	14.21	98.18	-49.64	80.83	0.72	86.61	2.08	11.32	14.66	21.86	50.42	2.81	8.09	0.01	1.29	0.85
32	C	C	C	51.05	10.47	8.45	19.78	119.86	114.14	-97.38	144.85	74.80	14.20	11.01	45.62	20.31	8.90	6.33	5.02	0.05	8.15	5.61
33	K	C	C	122.72	3.38	16.97	20.80	113.61	-120.58	-84.33	142.25	63.88	16.31	19.81	44.85	10.59	7.41	15.20	5.74	0.06	11.89	4.26
34	A	H	H	49.41	13.37	12.09	25.26	95.73	-119.55	-63.07	-34.12	35.92	13.92	50.16	18.66	7.95	10.69	30.05	19.24	0.33	11.09	1.99
35	A	H	H	63.74	5.16	16.74	22.83	94.17	61.33	-68.08	-30.08	28.03	19.14	52.83	15.04	5.70	8.36	33.87	18.11	0.21	17.16	1.56
36	Q	H	H	91.32	6.57	17.63	24.95	95.35	58.28	-75.48	-23.75	23.30	23.77	52.93	14.73	4.30	5.45	35.37	16.55	0.11	21.94	1.56
37	V	H	H	32.01	17.78	13.07	30.04	99.14	58.66	-76.96	-24.28	25.28	31.25	43.47	16.01	4.57	5.49	34.73	8.71	0.18	27.32	2.99
38	A	C	H	52.72	10.35	16.73	27.40	97.87	66.67	-77.98	-18.31	39.41	26.21	34.38	21.22	7.40	11.30	27.06	7.53	0.26	22.48	2.75
39	S	C	C	73.85	4.57	18.68	23.87	101.15	56.34	-91.54	2.09	61.76	15.46	22.78	25.74	16.27	20.57	16.11	6.80	0.27	11.68	2.56
40	S	C	C	40.90	12.88	14.29	27.67	119.68	96.52	-95.34	139.58	92.67	5.78	1.55	53.35	38.36	1.59	1.09	0.52	0.00	3.86	1.23
41	P	C	C	59.24	11.02	15.64	27.42	110.86	-106.43	-67.50	148.02	82.51	5.98	11.51	60.05	11.74	10.29	6.31	5.49	0.01	4.16	1.97
42	R	C	C	109.27	9.41	17.21	27.16	110.87	-121.29	-86.24	124.77	78.04	7.58	14.38	59.61	8.36	9.24	6.87	7.83	0.01	4.35	3.74
43	T	H	G	53.61	15.62	13.86	28.54	99.85	-161.88	-76.71	-22.86	43.28	4.53	52.19	26.37	7.96	10.51	8.51	42.53	0.01	3.11	1.01
44	E	H	G	132.89	3.62	18.85	23.25	95.30	68.24	-73.79	-20.27	36.85	5.16	57.99	11.63	9.02	19.21	8.99	46.14	0.04	3.93	1.03
45	D	H	G	83.00	7.03	18.69	26.30	100.02	49.17	-95.40	10.79	38.66	5.38	55.97	15.02	9.13	17.66	7.04	46.00	0.05	3.91	1.18
46	C	C	C	17.90	21.54	12.30	32.93	113.34	120.36	-87.75	124.55	76.24	15.41	8.36	60.07	10.35	4.61	4.27	4.62	0.02	9.76	6.30
47	V	C	T	63.79	9.54	21.56	31.49	112.76	-158.02	-91.45	126.87	72.12	20.23	7.66	22.02	14.14	37.38	4.55	3.04	0.24	12.55	6.07
48	G	C	T	29.51	9.75	21.23	31.38	99.18	10.95	84.72	0.62	85.02	8.81	6.17	17.61	25.46	43.02	3.11	2.67	0.05	5.92	2.16
49	C	C	C	17.91	20.53	13.44	33.24	99.50	134.24	-71.90	16.51	89.28	2.68	8.04	79.09	7.88	1.82	7.54	1.13	0.00	1.15	1.40
50	K	H	H	131.54	3.23	21.22	25.09	92.98	64.99	-62.81	-40.35	21.36	0.46	78.19	4.10	4.20	13.97	72.11	4.94	0.20	0.26	0.22
51	R	H	H	115.50	5.86	20.87	27.19	92.37	50.39	-66.71	-38.01	18.19	0.91	80.90	3.11	3.18	12.79	74.05	5.62	0.28	0.69	0.29
52	C	H	H	6.44	23.04	13.46	36.32	92.79	51.17	-69.02	-37.34	10.11	1.50	88.39	4.24	1.89	4.76	80.74	6.69	0.07	1.36	0.24
53	E	H	H	82.61	12.92	17.38	29.99	91.93	59.01	-63.77	-37.04	9.37	1.49	89.14	3.51	1.50	4.90	82.08	6.28	0.08	1.40	0.23
54	T	H	H	102.59	1.39	21.60	21.30	93.24	51.32	-72.99	-28.83	16.80	0.90	82.30	3.11	1.90	11.84	77.56	4.48	0.12	0.77	0.21
55	A	H	H	40.04	11.02	16.69	28.38	95.74	49.55	-82.64	-27.56	26.79	0.77	72.44	3.52	4.91	19.54	68.62	2.43	0.23	0.38	0.37
56	C	C	C	14.77	20.32	10.15	29.72	112.13	48.37	-117.79	101.61	97.97	1.06	0.98	64.62	32.22	1.11	0.81	0.20	0.00	0.40	0.64
57	P	C	T	90.96	3.95	17.36	22.36	94.27	-170.57	-67.03	-19.84	86.96	1.79	11.25	26.91	18.60	41.43	5.62	5.59	0.00	1.37	0.47
58	T	C	T	78.81	5.37	16.29	22.53	103.68	49.84	-99.62	-5.83	79.85	4.08	16.07	10.24	25.84	44.51	8.10	6.94	0.05	3.44	0.89
59	D	C	C	88.09	8.24	17.20	26.08	99.82	-116.25	-42.95	52.50	77.37	8.52	14.11	49.50	14.19	13.36	6.91	7.60	0.01	7.19	1.25
60	F	C	C	60.83	15.06	15.04	30.00	99.50	152.99	-89.09	-16.99	63.26	22.43	14.31	43.69	13.63	5.75	9.39	4.86	0.01	20.89	1.80
61	L	E	E	45.65	17.60	14.49	31.47	122.35	64.44	-113.66	133.70	31.28	55.96	12.76	22.72	5.74	3.68	9.00	3.93	0.03	52.96	1.92
62	S	E	E	55.04	7.49	20.17	28.56	125.40	-169.27	-120.58	140.59	22.97	67.67	9.36	18.21	2.70	1.62	6.79	2.35	0.00	67.59	0.74
63	I	E	E	60.53	16.29	13.66	29.65	121.70	-158.60	-115.61	130.27	21.03	70.44	8.53	17.44	1.67	0.92	6.92	1.47	0.00	71.06	0.51
64	R	E	E	124.70	5.87	17.13	24.53	121.35	-166.53	-115.59	131.73	19.11	73.28	7.60	15.75	1.48	0.86	6.37	1.31	0.00	73.79	0.44
65	V	E	E	63.71	11.21	12.84	25.17	119.49	-157.29	-109.11	129.30	21.86	70.61	7.54	17.79	1.95	1.14	6.07	1.54	0.00	70.92	0.58
66	Y	E	E	119.86	6.29	12.81	20.88	117.47	-160.68	-106.63	126.18	32.84	60.20	6.96	26.28	3.90	2.16	5.49	1.86	0.00	59.14	1.17
67	L	C	E	104.39	5.22	10.79	17.83	113.81	-163.69	-101.49	124.70	56.40	35.48	8.12	31.65	12.71	12.75	5.05	3.16	0.02	33.16	1.49
68	G	C	C	52.74	2.55	11.58	15.09	117.21	-43.39	98.17	-167.01	81.80	10.29	7.91	30.40	23.30	28.45	4.35	3.38	0.01	8.95	1.15
69	A	C	C	89.07	2.12	10.20	13.48	109.85	-43.10	-89.68	112.30	79.46	5.70	14.84	30.22	24.60	25.25	8.29	6.08	0.02	4.29	1.25
70	E	C	C	139.36	2.60	9.62	13.93	115.81	-149.33	-96.48	133.36	64.87	14.33	20.80	32.86	18.17	14.10	13.96	6.74	0.10	11.83	2.23
71	T	C	C	93.34	3.97	9.16	15.14	119.24	-155.43	-106.44	137.68	56.77	21.10	22.13	39.62	9.68	6.96	16.67	5.97	0.05	18.68	2.37
72	T	C	C	91.14	4.36	9.24	15.58	118.18	-154.99	-105.20	134.98	47.20	25.27	27.53	33.45	7.17	6.20	20.85	7.09	0.07	22.80	2.38
73	R	C	C	158.88	3.19	10.06	15.19	117.58	-158.69	-103.80	136.92	44.31	25.56	30.13	27.59	8.25	8.74	21.46	8.62	0.12	23.12	2.09
74	S	C	C	80.76	3.34	9.51	14.73	116.86	-145.61	-99.55	136.25	48.86	22.58	28.57	29.47	8.54	10.93	19.54	9.01	0.12	20.24	2.15
75	M	C	C	129.82	3.71	8.98	14.33	109.37	-151.71	-96.17	101.66	58.94	18.30	22.76	30.53	11.66	16.96	15.57	7.21	0.13	15.63	2.30
76	G	C	C	52.39	3.05	10.01	14.45	112.04	-113.16	91.79	152.66	69.31	18.05	12.64	32.89	15.64	21.75	6.86	5.23	0.07	15.68	1.89
77	L	C	C	119.93	3.28	7.92	13.03	112.78	-88.93	-91.63	127.46	63.56	23.02	13.42	40.83	11.36	11.94	7.10	6.09	0.06	19.71	2.91
78	A	C	C	81.76	2.82	8.19	12.85	116.33	-156.35	-100.01	134.02	70.36	19.57	10.07	57.45	3.61	9.08	5.85	3.55	0.01	16.88	3.56
79	Y	C	C	153.66	4.67	10.45	16.81	115.03	-145.33	-100.20	130.01	98.98	0.80	0.21	98.90	0.15	0.15	0.15	0.01	0.00	0.56	0.07