#	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	123.12	5.31	12.05	18.60	111.88	-146.02	-92.02	125.90	99.25	0.64	0.10	98.96	0.34	0.12	0.05	0.02	0.00	0.35	0.16
1	A	C	C	69.27	5.84	9.45	16.82	114.58	-151.69	-88.96	139.52	88.23	8.34	3.43	81.25	1.84	5.53	1.67	1.22	0.00	5.59	2.90
2	S	C	C	89.05	1.93	11.73	14.80	112.72	-147.85	-95.49	120.72	82.52	13.24	4.24	58.53	15.34	8.05	2.09	2.27	0.01	8.54	5.17
3	A	C	C	49.54	10.39	7.84	18.71	119.12	-136.30	-97.46	143.72	84.16	12.58	3.26	63.70	17.90	1.68	2.33	1.14	0.00	6.40	6.85
4	T	C	C	67.00	3.85	13.71	18.57	117.97	-116.42	-76.52	159.29	93.68	4.27	2.05	89.17	4.13	0.42	1.89	0.30	0.00	1.91	2.17
5	R	H	H	158.69	3.07	12.98	17.42	92.53	-107.22	-59.96	-37.28	3.53	0.08	96.39	0.99	0.86	1.90	95.66	0.51	0.01	0.04	0.03
6	V	H	H	89.22	3.33	14.43	18.38	92.25	51.61	-65.16	-41.10	1.89	0.06	98.05	0.31	0.28	1.34	97.48	0.54	0.01	0.04	0.01
7	I	H	H	67.35	6.83	14.66	22.65	92.42	48.26	-66.00	-41.11	0.71	0.07	99.22	0.12	0.11	0.51	98.64	0.55	0.01	0.06	0.01
8	Q	H	H	70.70	7.67	15.28	24.19	91.77	51.82	-63.48	-41.63	0.24	0.03	99.73	0.04	0.04	0.16	99.51	0.22	0.00	0.03	0.00
9	K	H	H	97.13	5.28	17.40	23.54	91.77	50.52	-64.35	-41.69	0.27	0.05	99.68	0.04	0.04	0.22	99.47	0.18	0.00	0.04	0.01
10	L	H	H	73.20	6.02	18.09	24.55	91.97	49.91	-64.19	-41.94	0.33	0.05	99.63	0.04	0.04	0.28	99.38	0.21	0.00	0.04	0.01
11	R	H	H	88.30	7.97	17.60	26.31	92.03	50.39	-64.71	-41.42	0.64	0.04	99.32	0.07	0.06	0.56	98.99	0.26	0.01	0.03	0.01
12	N	H	H	52.52	6.95	16.08	24.67	92.01	50.33	-64.52	-41.54	2.18	0.09	97.73	0.28	0.21	1.83	97.00	0.57	0.03	0.07	0.02
13	W	H	H	121.51	6.04	16.11	23.17	92.18	50.18	-64.44	-41.43	3.02	0.06	96.92	0.23	0.24	2.74	95.62	1.07	0.04	0.04	0.02
14	A	H	H	62.67	6.34	15.06	22.47	91.34	52.41	-67.60	-30.54	9.44	0.06	90.50	0.33	0.46	8.89	88.66	1.52	0.08	0.02	0.04
15	S	C	T	62.90	5.10	14.08	20.51	92.82	52.27	-86.85	-3.01	63.57	0.16	36.27	1.21	2.64	57.94	36.07	1.95	0.03	0.05	0.12
16	G	C	T	54.50	2.51	14.54	17.98	95.16	-110.98	80.61	11.96	96.21	0.43	3.35	11.18	8.54	76.76	2.25	0.86	0.00	0.21	0.20
17	Q	C	C	84.19	7.37	10.60	19.70	117.02	141.28	-89.28	141.14	87.96	2.83	9.21	67.88	14.49	4.91	6.93	2.65	0.00	1.19	1.95
18	D	C	C	98.55	3.46	15.71	20.04	108.23	-128.56	-87.45	107.29	80.65	2.34	17.02	63.05	9.00	7.89	13.59	4.07	0.00	1.23	1.17
19	L	C	H	55.93	13.25	10.75	24.35	99.23	173.01	-86.83	-7.95	50.79	2.70	46.51	37.08	6.53	8.26	37.23	8.30	0.02	1.47	1.10
20	Q	H	H	101.07	6.60	14.13	21.83	95.20	90.59	-65.71	-38.32	25.91	1.84	72.25	12.75	5.26	9.42	55.61	15.11	0.10	1.17	0.58
21	A	H	H	67.17	3.56	14.90	19.21	94.92	54.09	-70.55	-30.60	22.49	1.29	76.22	8.18	4.29	10.32	57.13	18.71	0.12	0.85	0.39
22	K	H	H	117.71	4.94	15.01	20.78	97.43	49.25	-83.37	-19.82	25.23	1.29	73.48	9.10	4.93	11.68	55.37	17.52	0.15	0.80	0.45
23	L	H	H	56.35	12.27	11.38	24.08	101.66	57.78	-84.37	8.27	34.75	2.58	62.68	15.89	7.11	12.58	43.25	18.56	0.18	1.41	1.02
24	Q	H	H	102.74	6.04	14.17	21.46	101.55	81.93	-74.04	-0.16	43.11	3.45	53.44	16.35	7.15	18.85	29.69	24.38	0.22	2.06	1.30
25	L	C	G	91.83	6.39	13.85	21.28	100.73	62.13	-83.90	11.26	49.85	4.23	45.93	19.07	8.87	22.07	20.08	25.63	0.17	2.46	1.66
26	R	C	C	110.27	8.93	12.61	22.42	104.62	89.96	-85.09	26.12	60.29	7.86	31.85	32.93	13.52	14.14	14.14	17.47	0.16	4.03	3.59
27	Y	C	C	103.04	8.87	11.62	21.41	108.95	46.21	-98.18	93.64	74.07	9.82	16.10	49.37	16.08	7.79	10.69	5.56	0.07	3.72	6.72
28	Q	C	T	115.35	4.80	12.96	19.16	96.37	-143.29	-66.14	-37.39	53.78	1.56	44.66	8.96	10.16	33.39	26.02	19.33	0.30	0.81	1.03
29	E	C	T	140.22	2.01	14.59	16.70	94.79	46.39	-71.82	-24.20	55.45	0.88	43.68	6.98	8.69	37.97	26.09	18.92	0.22	0.46	0.67
30	I	C	T	81.98	7.69	12.31	21.01	99.89	43.87	-91.19	-19.11	54.67	2.94	42.38	10.96	10.64	32.64	25.64	16.22	0.59	1.60	1.70
31	A	C	C	36.75	12.25	9.73	22.38	109.20	75.67	-85.18	122.12	69.61	9.08	21.32	45.01	17.80	6.97	16.11	4.78	0.09	3.57	5.67
32	K	C	C	124.45	3.99	15.38	20.30	108.95	-115.26	-80.58	118.45	77.55	7.99	14.46	59.86	8.63	8.21	8.61	5.95	0.01	4.01	4.72
33	R	C	C	145.30	6.74	11.46	19.39	98.64	-125.56	-73.70	-13.48	85.67	4.02	10.30	40.90	25.85	19.84	4.11	5.31	0.02	1.80	2.18
34	T	C	C	93.61	4.02	12.64	17.64	100.85	64.61	-91.48	1.72	91.68	3.20	5.12	50.94	23.62	17.15	1.67	3.22	0.00	1.33	2.07
35	Q	C	C	89.87	6.93	9.77	18.43	119.16	103.36	-89.61	142.57	97.72	1.95	0.33	60.11	37.18	0.59	0.13	0.15	0.00	0.65	1.20
36	P	C	C	95.29	2.69	13.55	17.17	116.57	-97.25	-66.38	150.60	99.29	0.63	0.09	90.23	8.82	0.25	0.03	0.04	0.00	0.26	0.37
37	P	C	C	95.93	4.56	12.65	19.13	113.97	-93.11	-64.72	144.54	99.47	0.46	0.07	97.19	2.17	0.16	0.03	0.03	0.00	0.19	0.25
38	P	C	C	57.32	12.84	9.46	22.57	114.03	-107.61	-67.35	147.75	98.53	1.25	0.22	95.55	2.46	0.56	0.07	0.10	0.00	0.51	0.75
39	K	C	C	160.98	1.43	17.89	18.87	112.22	-127.78	-94.79	125.31	92.06	7.71	0.24	80.44	10.10	0.49	0.11	0.12	0.00	1.84	6.90
40	L	C	C	63.88	15.39	9.70	24.56	118.28	-138.06	-84.31	140.46	97.84	2.02	0.15	88.33	9.33	0.30	0.05	0.08	0.00	0.89	1.02
41	P	C	C	56.82	7.74	13.78	23.15	115.74	-107.42	-65.74	151.95	98.70	0.95	0.34	94.25	3.44	1.05	0.11	0.17	0.00	0.41	0.57
42	V	C	C	115.59	2.91	14.85	18.89	115.42	-105.95	-81.25	142.94	96.87	2.45	0.68	62.55	31.74	1.79	0.27	0.38	0.00	0.65	2.61
43	G	C	S	31.50	6.29	14.44	21.94	131.25	50.42	100.21	-168.89	80.66	1.91	17.43	26.09	43.38	11.74	4.83	11.54	0.01	0.68	1.72
44	P	H	G	81.17	6.28	14.82	22.10	92.62	-46.35	-66.59	-22.28	42.50	0.41	57.10	3.81	4.67	32.32	7.07	51.68	0.01	0.22	0.22
45	S	H	G	39.76	11.85	12.89	25.54	92.33	63.14	-76.63	-14.66	33.46	0.47	66.06	3.83	3.50	24.53	8.79	58.87	0.01	0.28	0.20
46	H	H	G	81.10	11.27	13.45	25.39	94.60	75.48	-73.70	-14.88	31.74	1.11	67.14	11.68	5.99	14.75	10.97	55.57	0.01	0.64	0.39
47	K	C	G	131.03	4.47	16.90	21.75	99.33	66.23	-84.21	-6.78	49.75	2.24	48.01	14.43	10.28	25.79	9.86	37.30	0.04	1.18	1.12
48	L	C	C	70.32	10.03	12.67	23.57	112.85	88.76	-89.92	127.11	61.27	11.24	27.50	22.93	22.71	16.08	7.30	18.18	0.15	3.78	8.87
49	S	C	T	62.91	7.18	14.38	22.39	104.39	-110.48	-74.48	59.92	83.20	1.84	14.96	7.07	9.33	66.64	3.39	11.41	0.02	1.10	1.04
50	N	C	T	106.02	4.89	16.79	22.53	97.22	5.40	35.79	25.26	87.40	1.13	11.47	11.52	11.44	64.04	1.81	9.94	0.00	0.68	0.56
51	N	C	C	40.43	12.49	12.14	25.83	108.18	139.61	-92.90	105.31	87.86	6.24	5.90	71.68	12.16	2.68	3.56	2.30	0.00	2.10	5.52
52	Y	C	H	103.62	8.06	16.85	26.13	94.31	-163.32	-69.01	-26.38	48.86	3.34	47.80	16.73	8.40	23.55	27.37	19.85	0.33	1.62	2.16
53	Y	H	T	85.01	12.26	14.65	27.31	93.39	61.42	-71.93	-23.35	42.56	0.98	56.46	3.93	5.00	31.07	30.76	27.79	0.28	0.55	0.62
54	C	H	H	59.16	9.49	14.68	24.81	99.56	47.75	-90.58	-23.48	40.52	1.25	58.23	4.33	5.79	27.89	31.12	29.10	0.36	0.72	0.69
55	T	C	H	85.22	4.10	17.52	21.99	102.10	39.24	-99.40	-6.28	48.81	3.26	47.93	11.84	11.35	25.26	26.01	21.39	0.68	1.61	1.84
56	R	C	C	91.85	10.44	11.73	23.12	119.72	99.54	-91.74	144.64	80.89	8.57	10.54	43.14	28.53	9.28	6.09	3.87	0.08	3.07	5.93
57	D	C	C	57.58	7.43	14.41	23.56	113.10	-141.45	-98.58	119.88	89.97	7.04	2.99	74.79	11.01	3.03	1.77	1.21	0.00	2.76	5.44
58	G	C	G	32.10	10.15	12.37	23.90	93.09	-151.01	-66.18	-23.76	49.69	1.79	48.51	12.72	10.03	26.74	20.78	27.55	0.17	0.92	1.09
59	R	H	G	132.63	6.14	13.89	21.07	93.23	65.22	-70.77	-20.57	43.91	1.13	54.96	5.87	6.88	28.75	24.61	32.38	0.20	0.63	0.67
60	R	H	G	138.15	4.73	14.01	19.82	95.98	54.68	-80.57	-16.19	41.49	3.13	55.38	9.70	8.50	22.60	25.38	30.29	0.32	1.99	1.22
61	E	C	H	110.97	5.56	13.15	19.92	99.63	56.74	-89.65	-1.44	50.37	8.44	41.18	21.40	11.49	18.55	22.05	18.00	0.50	4.98	3.02
62	V	C	C	73.01	9.12	10.61	20.79	115.23	86.72	-98.61	131.31	73.19	16.99	9.81	44.46	22.58	5.77	6.65	3.28	0.12	7.12	10.02
63	V	C	C	100.02	3.53	14.22	19.16	119.34	-147.85	-109.43	131.33	89.67	9.74	0.59	60.08	29.77	0.79	0.35	0.26	0.00	5.43	3.31
64	P	C	C	77.67	7.05	12.00	20.48	116.12	-103.96	-67.01	148.74	97.67	1.81	0.52	90.86	6.34	0.66	0.28	0.17	0.00	1.16	0.52
65	P	C	C	71.21	8.98	10.57	20.79	112.05	-103.20	-66.14	145.97	88.20	3.76	8.04	76.97	6.63	4.74	4.85	2.98	0.00	2.46	1.36
66	S	C	C	80.82	3.36	12.82	17.56	110.20	-143.24	-93.14	116.68	55.00	28.35	16.65	35.49	13.99	6.59	11.38	5.94	0.38	21.01	5.22
67	I	E	E	107.26	5.08	11.32	17.81	114.72	-145.16	-97.54	122.80	37.39	42.73	19.89	27.75	6.03	4.23	15.78	5.46	0.16	36.40	4.19
68	I	C	E	94.66	6.95	10.31	18.41	108.15	-162.42	-93.99	81.70	39.18	37.02	23.80	28.83	5.96	4.87	18.92	5.73	0.15	32.68	2.86
69	M	C	C	104.14	5.82	11.13	18.19	111.12	56.38	-95.07	113.66	48.84	25.73	25.42	32.81	8.31	7.47	20.18	5.92	0.17	22.68	2.47
70	S	C	C	77.43	3.67	12.30	17.09	103.32	-129.13	-81.33	-20.13	58.29	10.90	30.80	33.38	11.87	12.89	24.17	6.98	0.15	8.80	1.74
71	S	C	C	77.52	3.92	12.32	17.30	99.17	51.10	-84.06	0.46	56.12	7.15	36.74	29.82	12.68	14.10	28.62	7.88	0.16	5.25	1.51
72	Q	C	H	99.24	7.13	11.61	19.90	106.73	94.46	-88.05	90.42	46.59	11.74	41.67	29.44	9.07	8.62	33.34	7.93	0.13	9.67	1.81
73	K	H	H	121.04	5.90	13.57	20.64	109.17	-157.99	-87.21	115.58	37.68	19.96	42.36	25.63	5.96	6.34	34.58	7.35	0.13	17.78	2.22
74	A	H	H	58.94	7.85	13.17	21.94	107.96	63.42	-85.25	114.00	32.76	25.02	42.22	22.32	5.11	5.53	35.28	6.55	0.14	22.72	2.35
75	L	H	H	85.29	8.63	12.34	21.84	109.23	-137.90	-87.53	122.07	33.64	26.01	40.35	22.33	5.68	6.03	33.90	5.99	0.19	23.21	2.67
76	V	C	H	89.34	6.02	13.30	20.42	107.95	-159.03	-89.93	80.55	45.03	18.98	35.99	28.13	7.97	8.89	30.89	5.29	0.23	15.99	2.62
77	S	C	C	73.59	4.77	12.56	18.58	106.55	61.39	-80.71	96.01	66.80	8.13	25.06	30.76	12.52	23.14	20.87	5.04	0.13	5.69	1.85
78	G	C	C	48.57	4.61	12.32	18.17	106.94	22.93	74.80	-13.54	77.63	4.55	17.83	29.66	19.61	29.09	12.08	5.40	0.05	2.63	1.47
79	K	C	C	132.10	3.86	12.19	17.46	109.49	71.69	-85.90	111.34	72.82	6.37	20.81	40.32	19.43	13.24	14.69	6.35	0.05	3.58	2.33
80	A	C	C	70.74	4.56	11.54	17.45	109.19	-103.97	-79.53	123.97	67.97	6.64	25.39	40.36	14.68	12.89	17.93	7.80	0.05	3.92	2.35
81	A	C	C	69.32	4.76	11.05	17.15	104.85	54.08	-78.53	41.17	65.73	5.11	29.16	37.39	15.12	13.57	20.75	8.34	0.06	2.93	1.84
82	E	C	C	126.11	3.38	12.52	17.01	103.40	44.64	-80.66	11.31	63.76	4.07	32.17	38.29	13.08	12.62	24.03	8.12	0.04	2.30	1.52
83	S	C	C	64.59	5.46	11.50	18.25	99.78	84.96	-71.81	-31.00	58.61	2.78	38.61	37.16	11.43	10.58	30.21	8.00	0.02	1.55	1.03
84	S	C	H	71.80	3.39	13.37	17.73	95.96	55.79	-70.97	-30.82	50.88	3.05	46.07	32.48	9.62	10.05	36.61	8.38	0.04	1.84	0.98
85	A	H	H	60.38	4.95	12.62	18.92	95.39	58.92	-70.53	-32.35	43.57	4.74	51.69	28.93	7.90	8.43	42.00	8.30	0.06	3.17	1.21
86	M	H	H	91.54	6.53	11.99	19.75	97.35	58.68	-74.67	-30.25	38.79	7.13	54.07	27.40	6.66	6.86	45.48	6.87	0.08	5.09	1.55
87	A	H	H	63.36	4.24	13.29	18.70	98.03	59.23	-73.21	-28.02	40.58	7.38	52.05	27.81	7.15	7.67	44.32	6.10	0.10	5.22	1.63
88	A	H	H	69.12	3.86	12.43	17.51	99.52	58.29	-75.89	-20.95	45.38	6.94	47.67	29.22	8.75	9.39	40.16	6.00	0.12	4.63	1.73
89	T	C	C	82.71	5.29	11.47	18.03	101.12	62.51	-82.23	-8.13	56.46	6.33	37.20	35.01	11.16	11.09	31.39	5.55	0.09	3.90	1.82
90	E	C	C	125.31	3.86	12.48	17.66	102.85	71.70	-81.78	4.12	67.88	7.51	24.61	43.25	12.93	11.14	20.47	5.16	0.05	4.68	2.32
91	K	C	C	132.82	4.24	11.44	17.32	107.50	81.25	-83.79	96.73	76.30	9.18	14.53	54.45	13.08	7.89	11.45	4.02	0.02	5.67	3.41
92	K	C	C	122.99	5.55	11.61	18.64	113.69	81.83	-90.85	129.52	82.32	10.06	7.63	63.64	13.01	4.90	5.41	2.72	0.00	6.52	3.79
93	A	C	C	68.37	5.45	12.56	19.40	112.46	-115.53	-74.47	142.43	86.70	9.33	3.97	74.18	8.86	3.28	2.34	1.66	0.00	6.65	3.03
94	V	C	C	92.67	6.54	11.24	19.10	112.58	-123.17	-90.28	124.34	84.64	12.30	3.06	65.92	14.26	3.63	1.69	1.45	0.00	6.96	6.08
95	T	C	C	80.32	5.82	11.34	18.85	121.15	-162.75	-110.08	138.52	88.98	10.19	0.82	64.25	22.80	1.94	0.39	0.46	0.00	5.10	5.06
96	P	C	C	92.70	4.79	11.05	17.36	111.33	-102.72	-71.69	145.83	95.09	4.10	0.81	53.55	36.12	5.75	0.23	0.56	0.00	2.14	1.65
97	A	C	S	66.84	4.73	10.18	16.49	120.65	-102.99	-81.41	158.89	96.40	2.73	0.87	46.56	47.05	3.03	0.26	0.52	0.00	1.17	1.42
98	P	C	C	104.35	2.13	12.41	15.52	114.29	-77.41	-68.63	146.04	96.14	1.66	2.21	70.21	21.26	4.61	0.85	1.37	0.00	0.86	0.84
99	P	C	C	94.56	4.72	9.23	15.87	113.32	-104.78	-69.38	144.93	89.25	3.46	7.29	72.31	8.72	7.87	2.63	4.70	0.00	1.83	1.93
100	M	C	C	115.80	5.37	8.22	15.29	113.46	-113.46	-80.24	138.85	80.17	5.78	14.05	60.30	10.63	8.49	4.77	9.71	0.00	3.32	2.78
101	K	C	C	150.97	2.22	10.51	14.17	112.83	-127.85	-88.96	130.85	74.90	6.22	18.88	53.26	12.70	8.58	5.59	13.74	0.01	3.93	2.19
102	R	C	C	173.25	2.32	10.61	14.49	113.64	-123.65	-87.66	130.64	72.14	6.65	21.21	54.41	10.30	7.26	6.50	14.96	0.00	4.33	2.24
103	W	C	C	137.56	7.92	7.29	16.28	115.36	-127.16	-89.17	138.53	77.31	5.80	16.88	63.67	8.21	5.68	5.23	11.44	0.00	3.97	1.80
104	E	C	C	148.59	1.45	13.34	15.24	114.16	-138.34	-91.56	131.06	77.27	10.45	12.27	64.47	7.31	5.32	4.85	7.16	0.01	7.17	3.72
105	L	C	C	91.18	8.59	8.15	17.81	117.28	-138.17	-87.71	140.48	79.49	13.46	7.04	63.22	10.87	4.10	3.82	3.34	0.01	7.72	6.94
106	S	C	C	53.55	5.06	9.14	16.23	114.91	-112.29	-73.89	143.45	89.09	7.22	3.69	80.58	4.81	3.47	1.64	1.87	0.00	3.93	3.69
107	K	C	T	169.95	1.29	10.32	12.48	94.86	-136.82	-71.45	-21.05	95.96	1.94	2.09	13.09	20.66	62.41	0.56	1.35	0.00	1.14	0.79
108	D	C	T	118.60	1.25	10.02	11.69	96.80	61.28	-88.44	-1.81	97.14	1.42	1.44	12.96	22.98	61.29	0.25	1.17	0.00	0.90	0.46
109	Q	C	S	81.37	7.06	6.87	15.40	116.20	99.89	-90.16	133.80	95.01	3.39	1.60	43.60	47.84	3.70	0.37	1.26	0.00	1.47	1.75
110	P	C	C	103.01	2.20	10.40	13.88	102.39	-120.09	-68.14	-1.99	93.27	3.06	3.67	47.81	17.90	27.63	0.59	3.23	0.00	1.80	1.03
111	Y	C	C	139.55	5.43	8.57	15.54	107.15	70.17	-88.24	53.09	89.71	6.47	3.83	68.23	4.42	17.02	0.98	2.51	0.00	3.60	3.24
112	L	C	C	91.27	7.87	10.93	19.87	106.53	74.98	-86.35	75.33	98.72	1.13	0.15	98.17	0.47	0.24	0.05	0.05	0.00	0.78	0.23