#	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	113.42	6.00	11.49	19.12	115.61	-162.57	-95.35	132.12	99.67	0.31	0.02	99.64	0.11	0.04	0.01	0.00	0.00	0.16	0.04
1	S	C	C	71.51	4.68	9.47	15.93	117.25	-145.71	-94.08	148.62	90.93	7.58	1.50	87.91	1.50	1.94	0.67	0.59	0.00	3.86	3.53
2	K	C	C	158.33	1.93	10.43	13.76	108.89	-126.38	-84.90	104.07	86.95	8.11	4.94	45.65	21.57	20.53	1.67	3.02	0.01	4.60	2.95
3	G	C	S	46.42	5.02	10.33	16.76	112.12	6.77	91.16	-107.43	87.29	5.04	7.67	31.79	32.16	24.44	2.62	4.31	0.01	2.69	1.99
4	T	C	C	82.91	5.43	10.90	17.67	110.35	-50.96	-89.64	112.03	80.66	5.72	13.62	54.82	17.33	8.14	7.41	6.23	0.01	2.59	3.47
5	A	C	G	77.22	3.75	11.86	17.07	100.40	-119.77	-74.46	-18.81	51.18	3.46	45.36	26.60	9.97	15.16	15.53	29.47	0.05	1.95	1.27
6	S	H	G	74.90	4.02	12.18	17.44	100.85	62.04	-85.36	-4.97	47.38	3.57	49.05	18.96	9.76	19.45	18.79	29.54	0.15	2.11	1.24
7	F	H	G	103.68	8.19	10.90	20.17	103.75	64.10	-93.15	0.69	45.65	4.35	50.01	20.91	10.26	15.74	21.45	27.34	0.18	2.45	1.66
8	G	C	C	34.04	6.81	12.38	20.56	118.16	81.77	24.06	-163.32	59.06	3.89	37.05	32.44	13.45	14.28	22.06	13.92	0.07	1.97	1.81
9	K	C	C	142.50	2.91	13.30	17.24	103.04	-40.25	-75.82	-0.44	55.58	4.33	40.09	24.52	13.93	18.77	22.58	15.84	0.18	2.37	1.82
10	R	C	C	140.60	4.96	11.47	17.94	102.08	68.13	-80.44	9.43	55.87	4.79	39.34	26.05	13.62	17.72	21.93	15.82	0.18	2.64	2.05
11	H	C	C	119.34	5.93	11.67	18.86	101.69	72.82	-86.59	9.60	65.86	4.00	30.14	33.97	15.11	17.45	18.30	11.16	0.06	2.01	1.93
12	T	C	C	81.94	5.18	13.18	19.71	108.89	86.32	-99.09	61.27	77.82	3.80	18.38	40.71	19.89	17.61	10.70	7.35	0.02	1.92	1.79
13	R	C	C	131.40	7.23	13.15	21.66	109.72	95.58	-88.07	110.81	82.05	6.82	11.12	50.97	20.20	10.97	5.76	5.27	0.01	4.01	2.81
14	I	C	C	91.16	8.14	14.88	24.03	111.00	117.31	-98.56	83.21	81.90	11.72	6.38	56.86	17.25	7.72	2.84	3.54	0.01	8.35	3.44
15	H	C	C	89.31	10.46	15.81	26.86	121.00	74.07	-106.59	139.68	72.33	25.00	2.67	53.10	13.81	5.28	0.86	1.93	0.00	21.55	3.48
16	G	E	E	20.71	11.17	17.88	29.79	131.15	165.73	-131.43	168.81	48.30	50.78	0.92	36.86	10.04	2.12	0.27	0.75	0.00	46.61	3.35
17	S	E	E	50.57	8.50	20.07	29.21	122.39	-100.06	-98.41	141.08	19.37	80.27	0.37	15.23	1.82	0.16	0.33	0.11	0.00	43.84	38.50
18	C	C	C	12.37	19.38	11.13	30.93	109.68	-113.53	-74.94	125.38	81.92	17.95	0.14	81.75	0.98	0.17	0.04	0.06	0.00	13.55	3.45
19	R	C	T	145.61	4.62	17.80	23.68	93.47	-154.39	-70.28	-27.04	99.15	0.21	0.64	0.75	5.00	93.48	0.02	0.54	0.00	0.14	0.06
20	R	C	T	129.11	5.82	16.30	23.21	99.31	45.85	-82.79	-39.68	99.35	0.08	0.58	0.13	2.62	96.80	0.01	0.39	0.00	0.03	0.02
21	C	C	T	57.77	7.16	14.16	22.91	101.93	20.79	-107.36	-13.24	99.50	0.08	0.42	0.31	2.94	96.36	0.01	0.32	0.00	0.04	0.02
22	G	C	C	44.29	4.67	15.90	21.84	94.86	-118.09	82.05	6.30	98.98	0.83	0.20	77.58	10.63	10.71	0.04	0.17	0.00	0.44	0.43
23	K	C	C	85.31	7.93	15.30	24.92	119.60	135.83	-80.95	147.19	93.57	6.37	0.06	83.25	10.20	0.38	0.01	0.05	0.00	5.09	1.03
24	H	E	E	100.99	9.00	19.21	28.81	117.29	-122.01	-95.43	135.26	21.79	78.14	0.07	19.62	1.54	0.07	0.04	0.04	0.00	60.41	18.28
25	S	E	E	16.46	16.44	17.62	34.40	136.32	165.41	-141.28	159.12	30.22	69.76	0.02	27.51	1.81	0.05	0.00	0.02	0.00	70.26	0.35
26	F	E	E	50.16	12.69	19.69	33.47	128.13	-146.55	-125.41	145.43	8.02	91.94	0.04	7.04	1.00	0.06	0.01	0.03	0.00	86.75	5.11
27	H	E	E	43.81	12.02	17.02	30.56	110.73	-122.84	-83.31	122.44	14.69	85.23	0.08	13.84	0.45	0.06	0.04	0.04	0.00	75.88	9.70
28	L	C	T	73.05	10.97	15.13	27.13	94.50	-156.14	-69.18	-28.89	92.19	3.08	4.72	4.92	10.21	76.24	0.18	5.39	0.00	2.64	0.43
29	Q	C	T	126.03	2.47	17.20	19.61	98.03	44.99	-80.97	-32.71	93.18	2.08	4.74	3.54	10.79	78.15	0.43	5.09	0.00	1.49	0.51
30	K	C	T	101.46	5.68	17.26	23.30	117.81	15.98	-129.07	112.16	95.13	0.60	4.27	5.94	10.05	78.02	0.46	4.94	0.00	0.40	0.19
31	H	C	T	92.01	12.08	15.76	28.10	97.12	-129.07	-13.53	34.51	97.54	1.91	0.54	8.82	8.87	79.82	0.06	0.54	0.00	1.72	0.17
32	E	E	E	75.26	7.11	21.90	30.07	131.55	111.32	-126.16	151.43	6.06	93.89	0.05	4.82	1.06	0.14	0.03	0.03	0.00	68.52	25.41
33	C	E	E	11.21	19.73	13.80	34.25	111.80	-110.17	-73.69	132.87	19.33	80.65	0.02	19.37	0.31	0.02	0.01	0.01	0.00	68.31	11.97
34	A	C	T	46.35	10.06	18.72	29.89	93.63	-144.98	-69.29	-28.38	99.56	0.23	0.21	0.41	2.05	97.21	0.00	0.16	0.00	0.14	0.03
35	S	C	T	65.02	6.33	19.98	27.00	99.24	45.08	-82.92	-39.39	99.79	0.04	0.17	0.03	0.80	99.04	0.00	0.10	0.00	0.01	0.00
36	C	C	T	55.25	7.93	17.83	26.95	102.71	19.39	-108.87	-11.19	99.82	0.03	0.15	0.09	1.24	98.57	0.00	0.08	0.00	0.02	0.01
37	G	C	C	29.74	9.69	17.23	27.91	95.12	-117.79	82.41	6.76	97.42	2.45	0.13	76.68	12.13	8.67	0.04	0.08	0.00	1.07	1.33
38	Y	C	C	70.35	10.88	16.02	28.31	117.52	141.56	-76.34	142.05	88.41	11.40	0.19	76.86	11.94	0.26	0.14	0.09	0.00	7.49	3.24
39	P	E	B	57.33	9.35	18.80	28.82	112.73	-103.64	-66.58	148.78	25.99	72.41	1.61	17.65	3.74	0.75	1.05	0.58	0.03	19.20	57.01
40	S	C	C	31.65	12.65	14.00	27.53	114.44	-106.87	-74.10	142.51	90.79	2.89	6.32	80.02	7.62	3.08	2.47	3.94	0.00	1.74	1.14
41	A	H	G	64.83	6.72	15.03	23.00	95.12	-125.17	-66.26	-27.33	44.10	1.81	54.09	16.89	10.29	17.56	13.76	39.78	0.03	1.00	0.70
42	K	H	G	138.05	2.60	15.84	19.08	94.72	62.49	-71.26	-27.46	40.86	3.43	55.71	12.39	9.45	20.32	16.02	38.45	0.12	2.05	1.20
43	M	H	G	77.74	9.28	12.31	22.69	99.50	50.56	-90.05	-8.11	41.59	7.12	51.29	21.84	9.44	12.49	15.48	34.05	0.07	4.61	2.02
44	R	C	C	99.21	11.37	10.24	21.99	106.01	92.56	-79.88	76.99	74.23	7.92	17.85	54.19	11.23	8.03	12.03	6.19	0.02	4.41	3.91
45	R	C	C	162.55	2.39	14.45	17.51	109.89	104.52	-94.48	74.88	77.39	7.33	15.28	40.84	20.34	16.44	10.32	4.97	0.04	4.36	2.68
46	Y	C	S	144.21	4.58	12.28	18.11	103.70	2.57	-84.45	44.90	80.69	3.66	15.64	24.21	30.32	26.45	10.89	4.42	0.04	2.12	1.54
47	N	C	C	97.03	5.13	12.21	18.71	104.50	58.82	-92.51	57.56	77.53	2.86	19.61	33.25	21.25	23.61	14.55	4.62	0.03	1.34	1.36
48	W	C	C	132.57	7.39	11.31	20.10	101.30	130.03	-85.42	2.27	62.23	3.02	34.75	31.14	12.74	18.74	29.81	4.72	0.04	1.49	1.32
49	S	C	H	46.12	6.10	12.92	20.75	111.65	114.39	-81.06	149.83	49.89	2.28	47.83	32.01	9.55	9.03	43.88	3.48	0.02	1.12	0.91
50	Y	H	H	146.63	3.39	14.41	18.89	94.21	-116.56	-64.46	-37.10	8.55	0.35	91.11	3.73	1.92	3.62	87.75	2.65	0.03	0.22	0.08
51	K	H	H	114.76	3.21	16.26	20.13	92.33	53.15	-65.80	-39.67	6.16	0.37	93.48	2.38	0.99	3.25	89.85	3.14	0.04	0.29	0.06
52	S	H	H	24.85	8.61	13.14	24.11	92.10	51.54	-65.35	-40.14	6.11	0.45	93.45	2.61	0.99	3.06	89.45	3.41	0.04	0.37	0.07
53	L	H	H	68.46	6.06	15.40	22.97	92.36	52.46	-64.51	-40.81	6.70	0.49	92.81	2.88	1.17	3.27	89.62	2.58	0.04	0.35	0.09
54	R	H	H	125.22	3.22	16.91	20.58	92.40	51.14	-65.57	-39.76	10.16	0.68	89.16	3.71	1.62	5.50	86.12	2.38	0.06	0.46	0.15
55	R	H	H	110.05	6.37	14.91	22.57	92.84	51.45	-67.22	-36.83	13.23	0.65	86.12	5.62	2.07	6.31	82.97	2.39	0.04	0.40	0.18
56	R	H	H	127.34	6.56	15.09	22.74	93.84	51.29	-70.86	-32.18	18.04	0.62	81.34	6.77	2.66	9.04	78.30	2.62	0.05	0.36	0.20
57	T	H	H	80.27	4.64	15.39	20.85	98.84	47.65	-82.05	-30.12	27.44	0.76	71.80	7.76	5.20	14.93	68.98	2.34	0.10	0.36	0.33
58	Q	H	H	105.22	4.17	14.82	19.77	100.23	47.76	-89.11	-12.75	46.74	1.17	52.09	12.43	14.19	20.57	49.82	1.83	0.09	0.40	0.67
59	G	C	C	36.39	6.71	13.06	21.20	112.61	-128.23	80.02	156.56	86.51	1.05	12.44	40.16	21.89	24.52	9.02	3.36	0.00	0.46	0.59
60	T	C	C	85.74	5.08	14.26	20.34	102.00	-83.29	-83.87	-7.05	68.97	1.58	29.46	29.72	20.33	19.60	23.21	5.54	0.03	0.64	0.92
61	G	C	H	37.51	5.77	15.13	21.92	101.62	40.13	-29.27	-40.72	55.43	1.20	43.37	21.44	16.84	18.60	34.44	7.46	0.06	0.52	0.64
62	S	H	H	53.53	6.85	14.98	22.81	95.87	59.48	-70.26	-32.50	40.39	1.29	58.32	20.79	8.23	12.59	48.31	8.81	0.04	0.68	0.55
63	M	H	H	79.37	8.36	14.11	23.41	95.84	53.79	-75.60	-20.85	29.03	1.08	69.90	16.55	4.80	8.50	59.36	9.77	0.02	0.62	0.38
64	S	H	H	56.04	4.20	16.15	21.35	93.48	72.15	-64.76	-39.54	23.56	0.72	75.72	10.08	3.83	9.95	66.64	8.77	0.04	0.45	0.25
65	H	H	H	96.94	4.83	16.16	21.89	92.91	51.31	-67.80	-35.80	20.21	0.58	79.22	7.63	2.99	9.82	70.38	8.57	0.04	0.36	0.20
66	M	H	H	73.16	8.48	14.28	23.92	92.82	55.21	-66.04	-38.75	9.93	0.31	89.75	5.51	1.66	3.38	84.96	4.20	0.01	0.19	0.08
67	R	H	H	126.65	3.82	16.25	20.95	92.03	53.79	-64.64	-40.04	7.82	0.24	91.93	3.33	1.11	3.74	88.88	2.71	0.02	0.17	0.05
68	K	H	H	114.02	2.55	16.95	19.54	92.31	50.30	-66.00	-40.40	5.44	0.26	94.30	2.34	0.85	2.63	91.81	2.10	0.02	0.20	0.05
69	V	H	H	61.47	5.97	14.92	22.36	92.25	50.27	-64.61	-42.46	3.68	0.26	96.06	1.97	0.54	1.45	94.29	1.49	0.01	0.21	0.04
70	Y	H	H	106.81	5.86	14.71	21.78	92.20	50.10	-64.73	-40.48	3.68	0.27	96.05	1.67	0.42	1.71	94.01	1.89	0.01	0.26	0.03
71	R	H	H	132.99	2.59	15.58	18.59	92.14	50.99	-65.39	-39.09	4.80	0.15	95.05	1.42	0.50	2.81	92.39	2.71	0.01	0.13	0.03
72	A	H	H	61.61	3.50	14.27	18.82	92.80	51.85	-68.23	-36.25	9.53	0.17	90.30	2.12	1.00	6.19	87.82	2.70	0.03	0.11	0.05
73	Y	H	H	117.97	5.99	12.17	19.39	98.76	46.37	-85.50	-17.72	25.42	0.69	73.89	7.90	3.67	14.26	70.40	3.05	0.06	0.33	0.33
74	N	H	H	99.44	4.16	12.13	17.67	102.11	75.86	-77.11	-16.20	44.29	1.24	54.47	14.44	6.95	23.16	51.31	2.93	0.05	0.56	0.60
75	S	C	H	76.22	2.91	12.59	16.35	100.62	45.59	-88.26	3.28	59.26	0.85	39.89	14.03	11.39	33.16	36.96	3.62	0.04	0.36	0.44
76	G	C	H	44.20	4.52	12.07	17.93	103.62	-97.58	76.30	-10.17	64.96	1.18	33.86	24.70	14.74	26.14	26.22	7.04	0.03	0.52	0.61
77	T	C	H	82.08	4.32	11.97	17.71	101.82	64.84	-78.73	-15.56	53.55	3.24	43.21	29.87	10.33	14.36	34.71	7.63	0.06	1.77	1.27
78	L	C	H	92.48	5.32	11.05	17.92	103.00	84.99	-82.10	7.42	48.78	4.81	46.41	30.85	9.01	10.10	38.97	6.51	0.06	2.97	1.52
79	K	H	H	127.38	3.29	13.02	17.45	101.24	73.17	-76.94	-25.75	44.08	3.24	52.68	26.68	8.83	9.89	46.22	5.40	0.05	1.91	1.02
80	A	H	H	67.06	3.78	11.68	16.71	98.35	51.06	-69.92	-38.63	44.43	1.51	54.06	22.33	10.34	12.92	47.65	5.38	0.04	0.79	0.56
81	N	H	H	98.29	2.85	12.31	16.03	99.28	52.21	-78.07	-21.54	41.56	1.53	56.91	23.59	9.21	10.01	50.34	5.47	0.03	0.83	0.53
82	A	H	H	61.47	4.03	10.40	16.11	97.98	71.83	-71.25	-31.31	36.31	2.16	61.53	23.88	7.08	6.84	54.64	5.64	0.03	1.27	0.62
83	R	H	H	146.16	2.77	10.79	14.83	97.46	64.30	-73.42	-30.51	36.80	2.52	60.69	26.20	5.68	6.27	53.43	6.16	0.02	1.57	0.67
84	K	H	H	136.91	2.08	10.74	13.75	98.59	58.79	-75.88	-23.10	40.62	2.74	56.65	28.85	5.80	6.81	49.50	6.53	0.01	1.79	0.70
85	Y	H	H	148.60	2.86	9.01	13.32	99.78	59.90	-79.10	-18.53	46.33	3.49	50.18	31.60	6.42	8.88	43.78	6.07	0.02	2.22	1.01
86	L	C	H	117.07	2.70	7.89	12.14	104.17	63.91	-85.03	21.53	55.49	4.37	40.14	35.55	9.00	11.16	35.66	4.55	0.03	2.53	1.52
87	A	C	C	86.27	1.72	7.72	10.81	105.37	68.81	-83.61	67.25	74.68	2.46	22.86	60.97	2.21	10.48	21.86	2.09	0.00	1.37	1.01
88	K	C	C	155.36	1.89	10.43	13.62	107.57	-114.86	-82.43	105.15	99.84	0.07	0.09	99.68	0.10	0.11	0.06	0.00	0.00	0.03	0.01