#	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	I	C	C	36.33	16.97	14.06	31.10	118.32	-148.98	-102.57	131.36	99.72	0.28	0.00	95.82	3.95	0.02	0.00	0.00	0.00	0.11	0.10
1	P	C	C	54.12	5.44	18.33	25.06	114.44	-107.22	-64.48	145.36	99.94	0.05	0.02	99.75	0.18	0.03	0.00	0.00	0.00	0.01	0.02
2	P	H	G	65.47	12.87	12.19	25.35	92.46	-114.07	-58.75	-32.79	19.95	0.06	79.98	1.00	0.94	14.89	0.80	82.32	0.00	0.04	0.00
3	D	H	G	103.39	4.27	16.82	22.33	92.03	60.35	-73.45	-11.70	19.21	0.11	80.69	0.53	0.93	15.13	0.77	82.56	0.00	0.07	0.01
4	Q	H	G	84.73	8.58	17.33	26.72	98.38	57.55	-95.74	-0.48	16.95	0.64	82.41	2.51	2.52	10.06	0.94	83.41	0.00	0.52	0.03
5	Q	C	C	36.70	18.10	15.57	33.35	117.51	99.32	-87.66	135.24	53.25	45.44	1.31	46.37	6.70	0.69	0.37	0.92	0.00	43.04	1.91
6	R	E	E	82.65	12.08	24.68	36.63	127.77	-162.06	-122.76	140.70	11.94	87.85	0.22	11.84	0.44	0.08	0.12	0.10	0.00	85.92	1.50
7	L	E	E	5.28	24.96	19.95	45.28	116.70	-143.00	-100.63	129.11	5.00	94.93	0.07	4.36	0.44	0.04	0.02	0.03	0.00	94.94	0.16
8	I	E	E	22.48	15.03	25.06	40.61	119.98	-162.21	-113.76	129.79	3.07	96.86	0.07	2.62	0.39	0.07	0.02	0.04	0.00	96.71	0.14
9	F	E	E	16.39	21.69	18.16	39.55	121.16	-169.26	-121.53	126.29	3.26	96.58	0.16	2.36	0.85	0.32	0.06	0.12	0.00	94.82	1.47
10	A	C	T	40.13	14.60	17.80	32.37	94.76	-26.11	53.31	48.12	97.95	1.60	0.44	0.50	3.34	94.58	0.02	0.31	0.00	1.15	0.09
11	G	C	T	49.86	5.80	19.08	25.54	95.51	-44.73	82.01	1.37	99.43	0.27	0.29	0.61	4.57	94.30	0.01	0.27	0.00	0.21	0.02
12	K	E	E	106.57	5.74	18.31	25.65	125.56	103.61	-111.11	144.41	10.94	88.91	0.16	6.32	5.05	0.90	0.04	0.14	0.00	84.70	2.85
13	Q	E	E	102.47	7.78	18.77	27.53	113.86	-114.33	-78.22	135.57	13.46	86.44	0.10	11.95	1.07	0.23	0.04	0.06	0.00	81.36	5.28
14	L	C	C	18.48	22.06	9.48	30.64	115.08	-121.15	-80.31	137.84	90.04	9.83	0.14	88.91	1.26	0.20	0.03	0.08	0.00	8.74	0.78
15	E	C	C	117.55	3.66	18.34	22.84	122.00	-158.74	-105.56	148.61	92.63	6.89	0.48	85.09	4.94	1.97	0.13	0.33	0.00	2.72	4.82
16	D	C	T	118.01	3.05	14.69	18.70	102.44	-38.22	-42.46	96.55	98.83	0.32	0.85	0.54	4.70	93.70	0.09	0.67	0.00	0.16	0.14
17	G	C	T	55.60	2.99	15.60	19.44	95.72	-15.61	83.91	1.47	99.16	0.13	0.71	1.27	5.18	92.61	0.05	0.76	0.00	0.08	0.04
18	R	C	C	91.21	8.60	14.55	24.67	122.45	116.84	-99.16	147.33	84.52	15.21	0.27	67.05	16.94	0.58	0.10	0.18	0.00	5.60	9.56
19	T	C	C	34.80	9.15	20.06	30.43	125.70	-138.83	-96.97	162.14	52.57	47.24	0.19	48.02	1.67	0.09	0.12	0.05	0.00	5.46	44.59
20	L	H	G	11.55	23.88	13.01	37.07	91.16	-106.81	-59.39	-35.89	37.78	0.67	61.55	4.40	3.70	28.48	5.12	57.60	0.00	0.40	0.29
21	S	H	G	65.75	6.99	18.35	26.35	91.52	59.66	-65.16	-32.21	30.45	0.16	69.39	1.01	1.71	26.30	5.59	65.22	0.00	0.10	0.06
22	D	H	G	99.70	3.03	19.47	22.77	92.24	56.49	-72.84	-20.26	25.84	0.15	74.02	1.03	1.98	22.10	6.54	68.22	0.00	0.08	0.05
23	Y	C	T	45.20	17.59	13.07	30.44	100.02	50.23	-100.92	7.99	58.39	0.63	40.98	4.30	13.34	39.61	6.62	35.20	0.04	0.29	0.60
24	N	C	T	111.12	3.28	22.98	26.54	94.66	-118.32	61.93	41.44	98.20	0.49	1.32	19.46	5.35	73.51	0.24	0.99	0.00	0.28	0.16
25	I	C	C	9.67	25.17	9.19	33.77	115.83	170.41	-81.55	133.85	87.24	12.45	0.31	85.01	1.59	0.14	0.17	0.07	0.00	2.98	10.04
26	Q	C	C	95.29	3.72	23.05	26.45	125.91	-155.47	-100.77	160.42	97.22	2.50	0.28	96.81	0.57	0.25	0.09	0.09	0.00	0.98	1.22
27	K	C	T	125.38	8.73	15.49	25.15	96.74	-96.55	-60.90	-27.92	96.74	0.87	2.39	1.32	6.87	88.96	0.34	1.72	0.00	0.55	0.24
28	E	C	T	134.85	3.01	20.00	23.00	95.32	38.26	-82.59	0.93	96.88	1.01	2.10	1.93	7.11	87.96	0.20	1.82	0.00	0.85	0.12
29	S	C	C	16.12	16.84	14.35	31.83	118.93	124.40	-75.19	150.11	92.16	7.10	0.74	78.69	12.66	0.76	0.19	0.58	0.00	6.53	0.61
30	T	E	E	41.81	10.99	24.24	35.83	121.00	-135.08	-108.54	135.22	16.95	82.74	0.31	16.04	1.03	0.20	0.15	0.17	0.00	80.69	1.73
31	L	E	E	4.92	25.40	18.78	44.65	122.47	-162.10	-113.49	133.96	2.92	96.98	0.10	2.72	0.16	0.04	0.04	0.04	0.00	96.83	0.16
32	H	E	E	43.53	13.79	26.92	40.92	118.43	-158.50	-110.16	127.51	1.87	98.07	0.07	1.72	0.09	0.02	0.02	0.02	0.00	98.08	0.04
33	L	E	E	6.61	24.44	21.38	45.79	119.29	-161.01	-107.18	128.64	3.51	96.35	0.14	3.30	0.16	0.03	0.05	0.04	0.00	96.29	0.12
34	V	E	E	23.53	14.87	25.44	40.69	118.91	-164.91	-115.05	126.06	8.63	90.94	0.43	7.79	0.59	0.15	0.16	0.15	0.00	90.79	0.38
35	L	E	E	15.92	21.30	19.57	40.54	120.38	-165.81	-107.82	132.70	21.20	77.24	1.55	18.04	2.42	0.80	0.65	0.65	0.00	76.74	0.69
36	R	E	E	98.82	10.00	22.49	32.58	114.64	-146.06	-97.43	125.32	38.88	58.89	2.23	30.94	6.07	1.92	0.84	1.18	0.00	58.08	0.96
37	L	C	E	43.53	17.13	13.32	30.04	117.63	-160.32	-98.95	133.97	49.05	46.90	4.05	38.20	7.98	3.96	1.51	2.65	0.02	41.88	3.80
38	R	C	T	149.84	5.01	16.01	22.24	110.16	-129.68	-86.12	122.66	59.51	35.27	5.22	15.82	14.35	32.63	1.01	4.07	0.08	27.69	4.35
39	G	C	T	55.28	3.00	15.81	19.38	103.45	6.13	80.78	-1.24	87.32	7.98	4.70	11.60	22.19	53.51	0.60	4.16	0.00	6.85	1.08
40	G	C	C	33.30	7.49	15.65	24.20	128.73	-66.46	129.32	-176.05	68.40	28.35	3.25	27.96	24.21	18.72	0.58	2.63	0.01	23.82	2.06
41	I	E	E	83.21	10.73	15.01	26.46	118.63	-69.84	-102.07	133.90	47.74	51.03	1.23	36.52	8.31	2.07	0.67	0.81	0.01	41.39	10.22
42	I	C	C	57.96	13.39	15.01	29.11	118.12	-154.74	-105.83	129.75	60.89	37.89	1.22	47.21	11.46	1.57	0.71	0.68	0.01	31.36	7.00
43	E	C	C	101.09	9.20	18.40	28.28	117.32	-133.15	-97.17	131.81	86.98	11.18	1.84	69.47	15.83	1.71	1.33	0.60	0.00	9.74	1.31
44	P	C	C	47.61	11.94	16.72	29.16	113.96	-93.96	-70.78	155.43	85.33	4.93	9.74	65.44	13.03	5.98	8.94	1.89	0.00	3.45	1.27
45	S	C	C	41.79	7.55	21.64	29.62	119.08	-115.71	-80.90	157.62	82.49	5.51	12.00	75.45	3.84	2.84	11.39	1.28	0.00	2.39	2.80
46	L	H	H	23.47	22.33	15.13	36.70	92.59	-113.63	-60.96	-37.51	4.46	0.22	95.32	2.19	0.98	1.70	93.84	1.11	0.01	0.12	0.04
47	R	H	H	120.82	8.31	20.11	29.05	91.66	54.93	-62.80	-41.08	2.58	0.36	97.06	1.18	0.47	1.25	95.42	1.32	0.02	0.30	0.04
48	Q	H	H	86.22	3.71	22.04	25.39	91.89	49.18	-65.36	-40.83	1.98	0.50	97.53	0.97	0.36	0.96	95.37	1.79	0.02	0.49	0.04
49	L	H	H	12.54	17.79	16.88	35.34	91.99	49.76	-64.56	-42.53	1.81	0.46	97.73	0.83	0.34	0.90	96.29	1.20	0.02	0.37	0.05
50	A	H	H	10.86	18.85	14.46	33.60	91.78	51.92	-63.42	-40.98	3.57	0.40	96.02	1.32	0.41	2.12	94.03	1.69	0.03	0.33	0.07
51	Q	H	H	121.86	2.48	19.12	21.71	92.36	50.12	-66.22	-38.63	6.48	0.11	93.41	0.92	0.44	5.07	91.82	1.62	0.02	0.07	0.03
52	K	H	H	122.57	4.04	18.31	23.05	92.68	49.71	-68.62	-33.38	11.39	0.07	88.54	0.70	0.63	9.98	87.66	0.94	0.03	0.03	0.03
53	Y	C	T	51.27	16.39	13.16	29.31	100.02	39.43	-98.17	5.35	61.26	0.51	38.23	4.34	5.78	48.49	39.22	1.64	0.04	0.20	0.29
54	N	C	T	116.04	3.00	20.56	23.89	95.67	-124.83	50.74	50.85	94.59	0.38	5.03	16.96	3.70	73.78	4.52	0.70	0.00	0.21	0.13
55	C	C	C	22.77	20.45	10.36	29.61	116.31	166.08	-91.38	138.06	88.80	4.46	6.74	79.24	4.38	5.32	3.44	2.96	0.00	2.97	1.68
56	D	C	C	101.88	4.39	21.38	26.27	97.02	101.16	-92.51	-3.42	82.61	7.07	10.31	40.95	28.19	13.96	3.73	6.48	0.02	5.41	1.27
57	K	C	S	76.59	12.26	20.18	32.37	128.01	77.39	-108.67	152.20	66.00	22.16	11.84	27.44	28.98	10.84	3.53	7.46	0.03	19.96	1.76
58	M	E	E	44.60	17.48	22.08	38.90	118.26	-121.95	-93.66	133.96	37.88	49.69	12.43	29.51	5.74	3.68	5.05	7.15	0.02	45.71	3.14
59	I	E	E	9.66	23.06	21.15	43.98	125.35	-161.66	-115.86	141.14	30.64	66.50	2.86	25.86	3.32	0.75	2.60	0.82	0.01	52.49	14.15
60	C	C	C	13.57	17.39	21.97	39.63	116.25	-115.79	-74.36	148.79	69.71	29.56	0.73	68.22	1.77	0.27	0.50	0.24	0.00	26.55	2.45
61	R	H	G	95.41	14.10	19.77	33.68	91.59	-115.28	-59.02	-35.19	36.96	1.14	61.90	3.27	4.78	27.46	29.85	33.33	0.13	0.81	0.36
62	K	H	G	107.13	7.61	23.03	31.39	91.07	60.55	-67.52	-25.42	36.38	0.69	62.93	1.80	3.24	29.69	30.59	33.81	0.17	0.45	0.26
63	C	H	G	14.40	19.66	18.14	37.71	98.20	46.89	-91.11	-10.07	35.85	1.32	62.82	4.01	4.35	25.62	29.81	34.75	0.11	0.88	0.46
64	Y	H	H	37.15	21.26	18.48	38.27	96.95	75.79	-72.83	-23.10	43.74	8.69	47.56	23.95	8.37	12.49	29.33	17.30	0.25	5.18	3.14
65	A	C	T	44.48	11.63	21.27	32.66	96.06	64.21	-74.49	-21.44	60.16	7.62	32.22	20.39	13.52	26.83	16.09	15.61	0.26	5.15	2.14
66	R	C	T	119.72	7.63	22.93	30.83	114.75	42.10	-103.61	108.37	59.37	11.36	29.27	23.49	14.05	23.98	11.62	16.09	0.16	7.81	2.81
67	L	C	C	30.40	21.50	15.38	35.77	114.78	-114.77	-80.20	133.36	78.57	11.03	10.40	51.78	21.79	4.59	6.15	4.27	0.08	4.86	6.48
68	H	C	C	54.45	13.64	17.76	31.77	113.61	-113.83	-74.80	138.66	97.53	0.46	2.01	91.70	4.93	1.11	1.22	0.54	0.00	0.19	0.33
69	P	C	T	78.51	7.04	19.05	26.91	93.17	-118.23	-60.90	-30.30	58.10	0.20	41.71	3.33	3.96	49.03	16.03	27.37	0.01	0.10	0.18
70	R	C	T	115.68	8.24	19.77	28.39	93.92	58.20	-75.88	-14.34	53.90	0.41	45.70	3.53	3.69	44.41	19.18	28.62	0.05	0.23	0.30
71	A	H	G	10.34	21.79	13.58	34.79	97.12	76.02	-74.03	-20.17	41.64	3.38	54.98	26.66	7.10	8.44	19.85	34.98	0.01	2.04	0.93
72	V	C	H	65.65	11.69	19.15	30.63	97.76	84.83	-75.52	-25.82	50.87	8.56	40.58	21.77	10.39	19.10	22.82	17.46	0.32	5.54	2.61
73	N	C	C	94.17	5.16	21.45	26.86	99.48	47.95	-94.05	14.49	54.70	8.59	36.71	22.85	10.44	21.89	19.64	16.67	0.34	5.73	2.44
74	C	C	C	24.44	18.93	12.13	30.43	110.65	129.87	-80.02	122.50	66.85	6.08	27.06	49.78	10.46	6.27	20.52	6.97	0.02	3.40	2.58
75	R	C	C	116.23	7.65	18.75	26.87	109.72	-142.33	-95.54	104.83	62.95	8.03	29.02	43.71	10.57	8.56	23.10	6.11	0.05	4.32	3.56
76	K	C	H	98.09	10.76	13.91	25.03	99.17	-133.35	-72.58	-16.90	54.03	5.33	40.64	26.26	14.28	15.33	28.46	10.42	0.18	3.05	2.02
77	K	C	H	134.67	4.02	15.34	20.56	97.00	64.70	-73.08	-26.95	51.50	3.68	44.82	20.79	12.49	19.32	29.63	14.01	0.15	2.17	1.43
78	K	C	H	125.77	4.93	16.09	22.09	100.67	52.81	-82.95	-19.12	53.08	4.67	42.25	16.83	12.67	24.70	26.95	13.79	0.29	2.74	2.05
79	C	C	T	47.31	13.65	12.91	26.37	101.56	46.09	-90.96	4.08	68.74	3.38	27.88	19.14	16.14	34.35	17.28	9.49	0.13	1.78	1.69
80	G	C	C	41.79	6.33	17.64	24.57	100.96	-111.28	81.58	3.27	88.00	4.93	7.08	34.31	25.47	28.95	2.43	4.21	0.01	2.79	1.83
81	H	C	C	70.77	11.32	15.25	27.33	114.01	105.84	-102.16	128.62	82.51	9.71	7.78	55.89	16.15	10.03	2.50	5.52	0.01	4.82	5.08
82	T	C	C	55.45	14.03	15.11	28.74	102.21	-149.40	-84.36	-12.03	75.86	5.21	18.93	42.75	14.47	18.22	2.88	16.80	0.00	3.12	1.77
83	N	C	T	100.73	6.34	19.08	26.12	95.72	74.90	-79.95	-7.70	77.30	4.13	18.57	26.19	22.01	29.39	1.98	16.73	0.00	2.67	1.03
84	N	C	C	70.64	9.59	19.39	29.54	99.11	59.97	-96.47	6.50	78.62	6.20	15.18	42.76	16.03	19.29	1.62	14.55	0.00	4.57	1.19
85	L	C	C	21.50	22.06	13.16	34.80	116.52	116.04	-89.10	131.19	77.81	20.79	1.40	66.54	9.24	1.30	0.55	0.94	0.00	15.26	6.18
86	R	C	C	105.01	7.58	23.10	31.44	128.93	-173.94	-130.28	142.62	69.45	30.36	0.18	63.67	5.87	0.25	0.08	0.12	0.00	25.63	4.38
87	P	C	C	51.36	15.03	15.57	30.32	114.23	-105.24	-66.41	148.14	68.38	30.64	0.98	63.63	3.42	1.14	0.41	0.62	0.00	25.08	5.70
88	K	C	C	101.44	10.75	14.70	25.85	109.42	-128.60	-81.54	132.81	87.69	7.07	5.23	66.41	15.16	5.71	0.90	4.75	0.00	5.43	1.64
89	K	C	C	123.82	5.31	13.84	20.72	117.07	-106.60	-95.36	137.83	84.86	6.68	8.46	53.41	22.60	8.81	1.40	7.39	0.00	4.79	1.60
90	K	C	C	139.34	4.28	12.18	18.31	109.88	-126.65	-85.54	114.76	84.87	6.59	8.54	67.46	9.79	7.19	1.70	7.20	0.00	4.75	1.92
91	V	C	C	72.16	9.98	8.02	18.59	114.38	-151.78	-96.06	128.04	93.27	3.58	3.15	88.90	1.99	3.10	1.00	1.60	0.00	2.21	1.20
92	K	C	C	157.37	1.94	13.76	16.61	107.81	-135.33	-83.78	113.37	99.91	0.07	0.03	99.73	0.13	0.09	0.01	0.00	0.00	0.03	0.01