#	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	86.83	9.94	13.62	24.21	112.37	-154.50	-88.42	131.92	99.77	0.15	0.08	99.61	0.14	0.09	0.05	0.01	0.00	0.07	0.03
1	A	C	C	62.67	6.54	11.69	19.63	108.86	-116.54	-73.02	137.77	85.68	2.77	11.55	79.37	1.34	6.20	7.84	2.48	0.00	1.68	1.09
2	D	C	C	95.35	4.23	12.00	17.70	104.87	-126.27	-84.97	71.68	78.74	5.26	15.99	57.95	9.87	10.65	10.51	5.63	0.00	3.33	2.05
3	H	C	C	99.91	8.36	10.81	20.21	103.40	85.82	-82.10	9.26	64.54	7.54	27.92	37.88	11.29	15.93	17.01	10.50	0.06	5.07	2.26
4	N	C	C	86.41	6.81	13.00	21.02	104.27	82.26	-85.88	42.33	63.20	6.88	29.92	36.02	11.63	16.22	18.88	10.56	0.05	4.72	1.92
5	K	C	C	108.52	8.29	12.65	21.84	102.13	111.70	-79.51	-6.10	61.43	8.27	30.30	41.28	10.62	9.60	21.18	9.24	0.04	5.86	2.19
6	K	C	C	123.07	5.27	14.87	21.34	104.03	70.93	-82.02	16.20	66.20	8.86	24.95	43.51	12.33	10.29	18.92	6.40	0.04	6.24	2.26
7	D	C	C	79.35	7.69	15.44	23.96	105.74	61.54	-86.39	75.42	75.43	7.14	17.43	56.11	9.71	8.74	13.54	4.77	0.01	5.16	1.96
8	V	C	C	54.07	14.08	13.13	26.93	103.06	143.48	-84.30	3.25	70.39	7.00	22.61	47.00	9.27	13.88	15.90	6.97	0.02	4.94	2.03
9	G	C	C	36.15	9.08	16.75	26.22	104.88	60.38	-62.38	-39.57	68.82	7.81	23.37	36.73	13.47	19.44	13.39	9.54	0.05	5.42	1.96
10	S	C	C	68.84	6.22	17.12	24.11	104.18	50.84	-85.67	19.70	62.60	13.62	23.77	35.67	14.02	14.02	11.93	11.37	0.08	10.27	2.65
11	W	C	C	104.57	12.22	14.20	26.65	108.45	104.63	-91.39	93.99	58.75	22.80	18.44	36.59	11.78	11.21	9.90	8.60	0.19	16.60	5.11
12	A	C	C	48.74	11.35	14.46	26.32	112.17	89.34	-89.91	130.92	69.96	21.24	8.80	46.77	16.16	7.05	5.02	3.92	0.10	14.70	6.28
13	S	C	C	47.22	7.79	14.80	24.06	118.24	-120.50	-100.33	137.68	88.53	9.36	2.12	67.37	18.11	3.03	1.15	0.95	0.00	6.79	2.60
14	P	C	T	84.06	7.71	13.93	22.82	96.99	-118.00	-65.79	-20.65	86.16	2.58	11.25	21.51	14.65	50.41	5.66	5.22	0.01	1.72	0.82
15	N	C	T	102.42	5.55	15.75	22.04	100.64	55.85	-88.69	5.49	84.05	3.44	12.51	17.73	17.14	49.71	6.26	5.75	0.02	2.42	0.98
16	E	C	C	81.69	10.75	15.21	26.47	114.60	93.66	-99.95	124.99	69.01	16.31	14.68	37.16	18.99	14.08	7.39	6.94	0.07	12.47	2.90
17	H	C	C	74.81	12.67	17.35	30.15	115.64	-168.61	-102.65	125.98	60.14	27.48	12.38	39.21	11.72	9.45	7.62	4.85	0.06	24.51	2.58
18	L	E	E	44.49	15.96	18.29	34.19	119.25	-165.08	-105.83	133.80	43.82	44.17	12.00	31.12	8.06	5.30	7.65	4.49	0.07	40.93	2.38
19	M	E	E	45.66	15.98	20.31	36.10	121.34	-165.48	-113.06	135.49	35.01	54.30	10.69	25.57	5.97	4.03	7.11	3.65	0.07	51.71	1.89
20	F	E	E	52.36	16.32	20.43	36.48	121.98	-161.12	-113.24	134.42	31.94	58.18	9.88	23.37	5.47	3.83	6.85	3.31	0.09	54.74	2.33
21	F	E	E	47.95	16.78	18.68	35.24	120.25	-163.68	-110.38	134.39	40.66	50.65	8.69	27.65	8.13	5.76	5.62	3.05	0.13	47.58	2.09
22	D	C	C	58.91	10.91	19.91	31.20	111.18	-151.71	-97.31	116.93	56.70	34.94	8.37	36.07	12.24	8.45	5.09	3.09	0.07	33.20	1.79
23	F	C	C	71.00	15.25	15.70	30.48	103.25	-165.02	-87.55	13.32	62.25	20.41	17.33	31.58	15.05	16.56	11.46	5.52	0.19	17.21	2.42
24	S	C	C	57.77	8.17	18.17	26.72	104.18	85.51	-86.74	-12.49	63.44	14.03	22.53	26.76	18.26	19.06	15.88	6.24	0.23	11.59	1.98
25	S	C	H	49.86	10.25	17.62	28.05	105.14	56.08	-88.72	3.96	50.13	19.43	30.44	22.68	15.20	13.33	22.74	7.03	0.35	16.53	2.15
26	W	C	E	85.04	14.55	16.56	30.69	108.44	77.90	-92.33	82.85	33.94	33.47	32.59	20.94	6.69	6.52	26.84	5.95	0.15	30.93	1.98
27	L	E	E	55.91	13.47	18.55	31.99	111.83	79.08	-94.41	121.66	23.65	43.26	33.10	15.25	3.78	3.94	29.53	4.74	0.08	41.14	1.55
28	L	E	E	55.76	14.26	18.13	32.17	108.86	-155.83	-91.38	105.82	21.39	45.85	32.76	13.22	3.70	3.85	30.12	4.54	0.09	42.99	1.49
29	V	E	E	43.12	14.59	17.19	31.82	114.36	-162.59	-100.78	123.83	26.83	42.22	30.95	15.80	5.32	5.31	27.70	4.95	0.22	38.77	1.93
30	D	C	E	67.24	9.01	19.20	28.64	107.13	-138.03	-92.55	100.80	44.02	31.99	23.99	30.10	6.15	6.21	20.68	4.25	0.05	30.44	2.13
31	F	C	H	49.81	17.16	14.68	31.36	99.45	139.27	-82.99	-4.23	48.19	15.69	36.12	24.28	9.04	15.09	30.38	5.52	0.25	13.26	2.18
32	G	C	H	31.67	9.66	17.18	27.23	100.85	71.23	-23.85	-38.75	51.54	6.83	41.63	19.62	10.86	22.16	33.66	6.62	0.39	5.18	1.51
33	K	H	H	117.31	4.65	17.74	22.96	98.75	51.85	-75.39	-27.85	44.60	7.72	47.68	17.57	10.78	17.96	37.28	8.20	0.50	5.98	1.72
34	R	H	H	90.26	11.27	16.77	28.20	97.37	57.95	-74.77	-28.21	39.65	12.38	47.96	20.24	8.23	12.82	38.24	7.67	0.40	10.16	2.23
35	W	H	H	56.62	17.53	14.73	31.47	97.90	61.48	-75.95	-28.73	32.13	13.63	54.24	20.56	5.44	7.69	44.66	7.65	0.17	12.05	1.78
36	E	H	H	96.14	8.25	18.06	26.85	95.13	65.79	-67.34	-34.04	25.67	10.63	63.70	14.15	4.28	8.10	52.26	9.85	0.16	10.19	1.00
37	R	H	H	121.59	7.00	19.61	26.82	95.55	52.75	-74.57	-27.75	26.46	9.67	63.87	12.34	4.48	10.35	51.98	10.48	0.21	9.24	0.94
38	W	H	H	59.55	16.16	17.13	32.82	100.81	51.14	-90.45	-14.82	28.07	11.22	60.71	13.80	4.96	9.75	50.72	8.74	0.14	10.81	1.07
39	V	H	H	38.40	15.59	17.47	32.81	109.99	66.47	-91.63	103.33	35.38	15.83	48.78	20.54	5.91	8.59	43.69	4.63	0.13	14.65	1.85
40	S	C	H	47.25	9.32	20.29	29.92	108.69	54.39	-91.32	88.32	47.28	13.25	39.47	23.28	7.49	15.06	35.89	4.48	0.14	12.34	1.31
41	F	C	H	62.88	14.60	17.68	32.08	111.75	56.30	-98.37	106.78	46.55	19.99	33.46	24.53	9.33	11.93	29.85	4.66	0.19	17.28	2.23
42	K	C	C	78.42	13.72	18.27	31.46	111.92	63.31	-91.67	122.45	46.64	23.04	30.32	32.20	6.66	6.21	27.75	3.84	0.06	20.63	2.65
43	K	C	H	90.65	11.91	18.51	30.13	110.04	-150.17	-90.03	109.81	41.20	23.29	35.51	27.81	6.15	6.52	30.11	5.61	0.08	21.82	1.90
44	S	C	H	42.06	11.72	18.81	30.69	113.62	-154.05	-95.42	134.00	40.46	24.92	34.61	26.88	5.90	7.06	27.88	6.92	0.09	23.50	1.78
45	F	H	H	59.61	15.02	17.30	32.10	111.25	-147.96	-93.75	114.18	34.45	28.94	36.61	20.32	6.28	8.08	28.75	8.09	0.20	25.81	2.48
46	L	C	H	53.04	13.74	16.58	30.45	112.30	-152.41	-93.00	122.20	38.99	29.03	31.98	24.37	7.04	7.47	26.37	6.04	0.21	24.92	3.58
47	T	C	C	58.44	9.31	16.36	26.55	114.69	-165.69	-99.10	137.39	52.88	23.29	23.82	35.97	7.84	8.38	20.46	4.21	0.10	19.75	3.29
48	T	C	C	75.15	8.37	14.21	23.42	102.78	-129.17	-84.15	-4.07	68.50	12.54	18.96	35.19	14.63	19.08	15.07	4.15	0.08	9.61	2.18
49	T	C	C	80.64	5.86	13.70	20.73	104.19	74.93	-88.40	9.81	82.09	5.80	12.11	31.14	22.38	29.30	8.42	3.48	0.03	3.81	1.45
50	R	C	C	148.58	5.17	13.83	20.23	103.73	-128.97	-85.41	19.75	87.06	5.80	7.14	35.72	30.68	21.70	3.42	3.12	0.01	3.38	1.97
51	S	C	C	46.50	8.61	12.81	22.89	116.60	119.22	-99.52	131.82	92.38	5.25	2.37	60.03	26.98	5.57	0.94	1.38	0.00	3.09	2.00
52	P	C	C	74.99	8.70	14.66	24.33	99.97	-135.50	-70.37	-6.97	88.68	3.28	8.03	40.30	20.10	29.00	2.55	4.96	0.00	2.13	0.96
53	Y	C	C	116.50	9.29	16.32	25.99	106.40	75.65	-88.05	43.51	79.63	10.31	10.06	31.84	20.88	28.71	3.54	5.74	0.04	6.48	2.77
54	W	C	C	86.57	13.75	16.21	29.97	113.37	73.60	-96.92	122.87	72.36	16.11	11.53	41.65	18.83	12.59	5.55	5.81	0.12	9.88	5.57
55	S	C	C	34.40	13.42	19.68	33.15	116.49	-147.99	-97.20	135.72	80.17	10.09	9.74	58.89	17.45	3.69	8.09	2.15	0.01	7.37	2.34
56	P	C	C	35.41	17.39	19.54	36.24	101.79	-123.73	-68.08	26.16	59.62	9.55	30.83	39.17	9.60	9.97	26.41	5.24	0.03	8.17	1.40
57	Q	C	H	53.86	16.21	22.07	36.98	97.36	60.40	-71.02	-32.26	41.23	23.60	35.17	25.44	7.54	8.16	28.98	6.07	0.13	21.70	1.98
58	F	H	E	40.97	18.63	21.99	39.25	96.93	57.10	-71.43	-35.42	29.47	34.94	35.60	19.63	4.89	4.63	30.73	5.53	0.08	32.58	1.92
59	F	E	E	37.17	18.89	23.32	40.88	97.44	57.70	-71.80	-37.75	23.99	42.20	33.82	16.83	3.21	2.91	31.45	3.89	0.03	39.92	1.75
60	L	E	E	23.32	20.66	23.50	42.71	96.26	54.22	-70.93	-37.00	20.07	43.11	36.82	13.92	2.59	2.39	35.19	3.11	0.02	41.34	1.44
61	L	E	E	24.94	19.73	23.61	42.07	96.99	52.48	-73.46	-32.67	21.87	39.69	38.44	15.39	2.69	2.43	36.66	2.83	0.02	39.02	0.95
62	T	E	E	22.86	18.42	23.75	41.19	96.98	52.60	-74.62	-32.82	24.52	37.98	37.50	16.83	3.27	3.01	35.84	2.92	0.02	37.27	0.84
63	F	H	H	26.96	20.28	23.25	42.24	98.66	51.68	-80.06	-29.36	24.32	36.69	38.99	16.14	3.47	3.44	37.00	3.19	0.03	35.79	0.94
64	F	E	E	27.52	19.58	22.49	41.07	102.98	52.42	-86.36	-3.54	25.34	38.21	36.45	17.02	3.33	3.63	34.73	3.33	0.03	36.68	1.24
65	Q	E	E	46.67	14.68	23.05	37.19	100.75	55.52	-79.87	-13.40	28.74	38.33	32.93	18.50	3.83	4.86	31.06	3.79	0.04	36.13	1.79
66	L	C	E	28.81	18.37	19.48	37.08	101.83	54.25	-80.63	-11.76	35.55	32.91	31.54	21.86	5.54	7.20	28.22	4.51	0.10	30.13	2.44
67	R	C	C	84.13	13.30	19.22	31.96	101.91	54.12	-82.68	-4.08	45.89	26.83	27.28	25.22	8.41	12.00	23.84	4.38	0.16	23.38	2.60
68	N	C	C	63.56	11.36	16.41	28.17	105.56	65.44	-91.35	65.66	66.93	13.96	19.10	36.27	12.88	17.01	16.57	3.66	0.05	11.71	1.87
69	S	C	T	59.39	9.33	15.27	25.12	100.50	64.40	-83.49	4.06	76.41	5.26	18.34	25.94	17.61	32.98	14.22	4.32	0.05	3.76	1.11
70	N	C	T	104.87	5.24	17.43	23.56	99.66	52.87	-85.13	14.93	75.93	6.56	17.51	27.59	19.01	30.06	12.60	4.68	0.09	4.60	1.37
71	V	C	C	41.50	15.75	13.01	28.72	114.24	122.42	-93.83	129.80	59.31	18.39	22.30	37.46	13.71	8.36	17.59	5.15	0.12	14.70	2.93
72	K	C	C	109.29	7.76	21.03	29.12	111.71	-149.67	-92.80	122.40	47.42	27.01	25.57	34.26	6.55	5.82	20.24	5.90	0.07	23.78	3.37
73	L	C	C	36.62	18.76	16.47	34.22	109.85	-142.27	-85.92	125.02	38.83	27.28	33.89	24.44	7.42	7.89	24.24	9.36	0.22	23.31	3.11
74	C	C	C	32.72	15.55	16.35	31.67	108.98	-122.47	-86.13	115.40	42.50	20.50	37.00	27.16	7.07	8.96	23.76	12.92	0.10	17.51	2.52
75	E	C	T	104.95	7.80	18.64	26.85	104.76	80.16	-79.99	1.10	49.96	14.37	35.67	13.46	10.04	27.16	22.01	13.03	0.54	11.53	2.25
76	N	C	T	87.56	7.64	18.28	26.34	102.68	31.35	-86.43	42.76	58.46	11.83	29.71	15.73	11.26	32.10	17.45	11.78	0.27	9.70	1.72
77	W	C	C	64.93	17.47	13.66	30.37	113.59	138.30	-94.76	125.68	63.66	21.19	15.15	38.83	13.73	11.66	8.69	6.32	0.13	17.40	3.25
78	N	C	C	84.34	8.27	20.54	29.11	109.21	-145.87	-100.44	73.88	62.29	29.60	8.12	38.57	11.94	12.48	3.85	4.09	0.05	25.86	3.16
79	W	C	C	80.07	15.24	16.95	31.86	115.60	114.23	-97.85	132.37	54.65	39.63	5.72	37.39	12.07	4.81	3.26	2.88	0.22	28.92	10.45
80	A	C	C	28.26	13.78	15.02	29.59	119.82	-137.50	-98.66	139.77	77.37	21.07	1.56	60.20	14.67	2.31	0.66	0.97	0.01	17.66	3.54
81	P	C	C	53.71	9.34	15.50	26.10	113.19	-107.66	-67.42	149.72	81.63	13.96	4.41	62.02	10.61	8.48	1.25	3.35	0.00	11.21	3.07
82	K	C	T	140.15	4.78	13.45	20.00	108.55	-99.01	-69.87	132.21	84.73	6.99	8.29	19.06	16.95	49.03	1.75	6.40	0.02	4.47	2.33
83	G	C	T	55.85	2.49	14.24	17.50	105.56	19.22	84.22	-7.35	90.27	2.13	7.60	14.78	21.20	54.18	1.32	6.40	0.00	1.37	0.75
84	D	C	C	83.66	7.53	12.31	20.93	111.78	100.96	-91.81	117.94	86.08	5.38	8.54	38.60	30.82	17.08	1.83	6.64	0.01	3.10	1.93
85	D	C	C	84.30	7.28	15.87	24.03	106.43	-145.43	-89.11	60.58	79.18	13.05	7.77	40.03	23.85	16.40	2.69	4.80	0.02	9.70	2.51
86	F	C	C	62.69	15.50	13.50	28.63	112.87	117.04	-98.44	119.53	61.82	28.80	9.38	39.91	13.21	9.79	3.92	5.31	0.07	23.75	4.03
87	N	C	C	72.38	9.39	19.25	29.06	111.83	-167.68	-98.89	113.73	51.12	39.57	9.32	37.15	8.46	6.10	4.47	4.85	0.05	35.34	3.59
88	L	E	E	52.06	14.92	16.05	30.91	113.75	-175.22	-96.05	123.86	43.09	48.02	8.88	31.81	7.14	4.81	5.11	4.12	0.08	42.60	4.33
89	L	C	E	68.34	11.07	16.89	28.43	113.06	-155.29	-96.85	125.32	48.42	44.18	7.40	34.03	9.08	5.94	3.98	3.65	0.09	38.50	4.74
90	H	C	C	85.68	11.01	14.49	26.00	112.92	-155.06	-92.05	126.32	63.92	29.58	6.50	40.46	15.04	9.41	2.76	3.53	0.06	25.43	3.31
91	N	C	C	105.23	5.43	15.05	21.71	103.65	-134.95	-87.40	37.16	80.58	13.26	6.16	39.97	24.42	17.32	1.82	3.89	0.02	10.64	1.92
92	S	C	C	58.07	8.08	13.45	22.60	115.99	105.68	-101.33	141.05	82.71	9.36	7.93	41.31	25.63	16.74	2.33	5.26	0.01	6.19	2.54
93	A	C	C	67.12	6.62	14.47	22.21	108.23	-115.83	-81.45	120.50	83.91	8.04	8.05	48.37	21.76	14.32	2.35	5.51	0.01	5.21	2.48
94	A	C	C	53.91	10.70	13.25	24.50	112.95	-136.34	-86.42	136.54	84.84	8.43	6.73	53.82	22.07	9.22	2.40	4.22	0.01	4.91	3.36
95	E	C	C	95.99	8.40	15.86	25.15	117.54	-128.97	-94.52	136.00	89.44	7.18	3.38	60.93	25.42	3.29	1.82	1.53	0.00	3.93	3.07
96	P	C	C	67.10	10.00	15.58	26.25	110.50	-107.78	-68.32	142.61	85.11	4.30	10.59	56.29	12.72	16.27	5.80	4.58	0.00	2.66	1.67
97	F	C	C	85.74	12.84	14.30	27.04	109.98	-144.80	-90.52	110.21	76.50	6.11	17.39	39.28	15.81	21.93	11.03	5.95	0.04	3.20	2.76
98	G	C	C	34.18	9.51	16.18	25.99	109.55	13.05	12.24	-107.13	66.15	4.25	29.60	31.13	18.18	18.00	21.41	7.25	0.09	2.17	1.77
99	R	C	H	139.25	5.72	16.85	23.42	99.80	-3.13	-77.21	-24.89	50.29	5.00	44.72	28.15	12.18	11.69	36.06	7.17	0.12	3.07	1.56
100	D	C	H	72.72	8.34	17.68	26.50	100.67	61.00	-76.58	-14.63	47.71	6.15	46.14	33.92	7.26	7.44	39.43	5.96	0.03	4.57	1.38
101	L	H	H	40.60	16.96	15.36	31.54	95.74	75.99	-70.11	-33.43	39.11	8.06	52.83	30.89	5.03	4.59	46.66	4.72	0.02	6.80	1.28
102	K	H	H	92.35	9.68	19.48	29.32	93.77	61.04	-65.90	-39.15	28.71	11.03	60.26	22.79	3.60	3.76	53.77	4.40	0.03	10.35	1.31
103	A	H	H	41.82	7.19	19.30	27.43	93.47	54.45	-66.63	-39.52	22.67	11.28	66.05	17.12	3.00	3.65	58.93	4.69	0.04	11.44	1.13
104	H	H	H	60.29	10.70	18.63	30.03	93.90	51.74	-68.74	-39.05	23.02	12.64	64.34	16.68	2.91	4.02	57.87	4.41	0.05	12.78	1.26
105	L	H	H	43.56	14.23	16.40	30.72	93.87	52.98	-67.33	-39.50	25.10	10.32	64.58	17.99	3.37	4.62	58.61	4.06	0.04	9.96	1.36
106	E	H	H	97.88	7.06	17.80	25.55	93.62	53.10	-67.68	-37.36	32.92	6.33	60.75	22.63	4.17	6.87	56.22	3.44	0.03	5.45	1.19
107	R	H	H	135.09	4.44	17.57	22.72	94.65	52.18	-71.06	-34.80	40.42	4.67	54.91	23.77	5.73	11.22	51.03	3.56	0.04	3.54	1.11
108	E	H	H	88.44	8.95	15.93	25.53	98.26	50.38	-78.77	-28.66	46.19	4.18	49.63	26.49	6.82	13.24	46.14	3.34	0.04	2.78	1.15
109	A	C	H	45.16	10.17	13.25	24.27	100.45	58.27	-76.74	-27.00	54.92	4.18	40.90	28.33	9.43	17.61	37.42	3.42	0.04	2.54	1.22
110	G	C	C	37.61	6.60	14.23	21.84	107.56	55.38	-62.18	-36.12	65.88	3.62	30.51	33.72	11.16	21.23	25.94	4.64	0.03	2.15	1.12
111	A	C	C	66.98	5.02	12.16	18.58	100.73	28.89	-73.31	-15.06	62.86	5.21	31.94	35.98	11.52	15.48	23.79	8.20	0.04	3.36	1.63
112	K	C	C	134.02	3.85	11.82	17.17	102.86	63.07	-84.10	11.38	63.73	7.98	28.28	34.75	12.64	16.63	19.26	8.97	0.06	5.64	2.06
113	H	C	C	119.81	5.41	9.67	16.66	106.78	85.65	-89.88	75.79	67.77	9.75	22.47	41.28	11.68	14.72	14.70	7.95	0.04	7.21	2.44
114	H	C	C	130.37	4.04	9.28	15.11	110.53	94.78	-94.51	108.71	82.08	6.49	11.43	71.17	2.08	9.51	7.62	2.94	0.00	4.46	2.23
115	H	C	C	128.77	4.65	11.11	17.50	111.96	-159.07	-95.71	116.61	99.84	0.11	0.05	99.66	0.13	0.11	0.03	0.00	0.00	0.06	0.02