# 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 G C C 41.63 4.51 13.86 19.81 128.26 -101.45 114.43 -169.75 99.85 0.13 0.02 98.81 0.91 0.16 0.01 0.00 0.00 0.06 0.04 1 L C C 105.74 4.14 11.65 17.39 113.77 -50.80 -77.47 145.94 95.95 0.82 3.22 91.93 1.91 2.00 2.99 0.31 0.00 0.31 0.55 2 S C C 66.31 2.80 12.13 15.94 115.95 -113.58 -76.74 160.14 91.62 0.69 7.70 83.05 4.62 2.79 8.25 0.55 0.00 0.20 0.53 3 G H H 47.76 3.76 10.35 15.85 93.77 -105.17 -60.89 -38.35 12.12 0.06 87.82 3.13 3.17 6.27 86.07 1.28 0.02 0.02 0.04 4 Y H H 162.19 1.41 12.49 14.00 92.20 51.74 -65.34 -38.96 3.89 0.01 96.10 0.68 0.49 2.47 95.34 1.00 0.01 0.01 0.01 5 S H H 60.30 2.30 13.00 15.99 92.45 50.71 -65.36 -40.12 1.33 0.01 98.66 0.33 0.14 0.71 97.94 0.87 0.00 0.00 0.00 6 M H H 96.03 3.45 12.68 17.47 92.32 50.70 -65.01 -41.06 0.45 0.00 99.54 0.09 0.03 0.23 99.38 0.26 0.00 0.00 0.00 7 L H H 95.86 2.67 14.03 17.43 92.06 49.74 -64.78 -41.09 0.33 0.00 99.67 0.05 0.02 0.20 99.63 0.11 0.00 0.00 0.00 8 A H H 65.27 1.63 15.44 16.47 92.10 50.29 -64.19 -41.09 0.32 0.00 99.68 0.03 0.01 0.21 99.67 0.08 0.00 0.00 0.00 9 I H H 98.28 2.04 15.57 17.49 92.34 48.74 -65.19 -41.27 0.32 0.00 99.68 0.03 0.01 0.21 99.68 0.07 0.00 0.00 0.00 10 G H H 31.55 4.26 14.10 19.87 92.22 50.93 -63.97 -41.86 0.33 0.00 99.66 0.03 0.01 0.21 99.65 0.08 0.00 0.00 0.00 11 I H H 96.96 2.11 16.12 18.01 92.04 49.32 -64.64 -41.30 0.34 0.00 99.66 0.03 0.01 0.24 99.62 0.10 0.00 0.00 0.00 12 G H H 38.24 1.93 15.96 17.57 91.90 50.33 -64.00 -41.87 0.60 0.00 99.40 0.05 0.03 0.41 99.38 0.13 0.00 0.00 0.00 13 T H H 72.90 2.56 15.06 18.05 92.12 49.53 -65.63 -41.11 0.78 0.00 99.22 0.07 0.04 0.57 99.13 0.19 0.00 0.00 0.00 14 L H H 90.11 3.09 14.64 18.58 92.12 50.44 -64.72 -41.05 0.89 0.00 99.11 0.07 0.04 0.67 98.89 0.32 0.00 0.00 0.00 15 I H H 100.80 1.65 15.91 16.85 92.24 49.86 -64.71 -41.78 1.16 0.00 98.84 0.08 0.06 0.90 98.56 0.39 0.00 0.00 0.00 16 Y H H 137.38 1.50 15.84 16.49 92.46 48.95 -65.36 -40.95 1.21 0.00 98.79 0.09 0.07 0.94 98.51 0.39 0.00 0.00 0.00 17 G H H 32.36 3.66 13.77 18.78 92.21 50.64 -64.35 -41.47 1.90 0.00 98.10 0.19 0.12 1.41 97.86 0.41 0.00 0.00 0.00 18 H H H 110.75 2.13 15.18 17.36 92.09 50.36 -64.97 -41.21 1.59 0.00 98.41 0.15 0.11 1.22 98.13 0.39 0.00 0.00 0.00 19 W H H 146.67 1.71 15.46 16.70 92.13 49.77 -65.10 -41.11 1.03 0.00 98.97 0.11 0.07 0.75 98.78 0.29 0.00 0.00 0.00 20 S H H 57.28 2.83 14.96 18.24 92.15 50.04 -65.14 -40.95 1.34 0.00 98.65 0.15 0.08 0.99 98.48 0.29 0.00 0.00 0.00 21 I H H 92.53 2.34 15.07 17.67 92.09 49.49 -64.59 -41.81 1.28 0.00 98.72 0.10 0.08 0.99 98.55 0.28 0.00 0.00 0.00 22 M H H 99.54 2.10 15.33 17.41 91.94 49.69 -64.76 -41.34 1.36 0.00 98.64 0.13 0.09 1.00 98.48 0.30 0.00 0.00 0.00 23 K H H 111.30 2.17 15.71 17.82 91.94 50.40 -64.81 -41.12 1.37 0.00 98.63 0.14 0.08 1.00 98.45 0.32 0.00 0.00 0.00 24 W H H 131.78 2.34 15.79 18.18 91.92 50.08 -64.73 -41.01 1.43 0.00 98.57 0.18 0.11 1.00 98.42 0.30 0.00 0.00 0.00 25 N H H 76.69 2.65 15.38 18.58 91.91 50.30 -64.47 -41.03 1.13 0.00 98.87 0.23 0.09 0.68 98.81 0.18 0.00 0.00 0.00 26 R H H 124.02 2.23 15.83 18.08 91.87 50.38 -64.43 -41.47 0.49 0.00 99.51 0.08 0.03 0.29 99.49 0.11 0.00 0.00 0.00 27 E H H 100.56 2.23 15.93 18.10 91.82 49.46 -64.53 -41.62 0.46 0.00 99.54 0.07 0.03 0.28 99.51 0.10 0.00 0.00 0.00 28 R H H 127.93 1.99 15.81 17.59 92.15 49.83 -64.77 -41.01 0.70 0.00 99.30 0.11 0.04 0.44 99.28 0.13 0.00 0.00 0.00 29 R H H 123.42 2.22 15.48 17.80 91.99 49.73 -64.95 -40.83 0.77 0.00 99.23 0.14 0.05 0.47 99.20 0.14 0.00 0.00 0.00 30 R H H 131.34 2.02 15.75 17.68 91.84 49.96 -64.38 -40.98 0.41 0.00 99.59 0.06 0.02 0.25 99.55 0.11 0.00 0.00 0.00 31 L H H 89.07 2.16 15.30 17.52 91.75 50.26 -64.48 -41.05 0.48 0.00 99.52 0.06 0.02 0.31 99.47 0.14 0.00 0.00 0.00 32 Q H H 101.36 2.04 15.90 17.72 91.97 50.18 -65.01 -40.77 0.86 0.00 99.14 0.09 0.04 0.56 99.16 0.15 0.00 0.00 0.00 33 I H H 89.72 2.32 15.39 17.88 92.05 48.98 -65.09 -41.45 0.52 0.00 99.48 0.08 0.03 0.28 99.50 0.10 0.00 0.00 0.00 34 E H H 98.21 2.31 15.20 17.76 91.75 50.40 -64.22 -41.24 0.46 0.00 99.53 0.08 0.03 0.25 99.52 0.12 0.00 0.00 0.00 35 D H H 84.69 2.15 15.64 17.81 91.95 49.61 -64.63 -40.54 0.90 0.00 99.09 0.13 0.05 0.58 99.06 0.19 0.00 0.00 0.00 36 F H H 112.43 2.22 15.50 17.66 92.12 49.43 -64.65 -41.42 1.38 0.00 98.62 0.24 0.10 0.90 98.44 0.32 0.00 0.00 0.00 37 E H H 104.42 2.08 15.47 17.48 91.94 50.14 -64.86 -40.53 1.83 0.00 98.17 0.30 0.13 1.22 97.90 0.45 0.00 0.00 0.00 38 A H H 54.05 2.92 13.83 17.80 91.93 51.11 -64.83 -39.96 3.21 0.00 96.79 0.41 0.22 2.28 95.85 1.24 0.00 0.00 0.00 39 R H H 140.24 2.23 14.54 17.08 92.61 50.80 -65.72 -38.88 3.43 0.01 96.57 0.42 0.24 2.48 93.94 2.91 0.00 0.00 0.00 40 I H H 106.03 2.08 14.50 16.55 92.64 49.99 -67.33 -36.73 5.20 0.01 94.79 0.45 0.33 4.06 90.80 4.35 0.00 0.00 0.00 41 A H H 64.87 2.43 13.58 16.56 93.06 52.29 -69.85 -32.47 25.55 0.03 74.42 1.00 1.07 22.93 69.88 5.08 0.02 0.01 0.02 42 L H H 93.09 2.95 13.36 17.26 93.82 53.42 -72.70 -30.97 32.05 0.04 67.91 1.77 1.71 27.63 63.35 5.47 0.02 0.01 0.04 43 L H H 89.18 2.86 13.91 17.67 92.55 61.22 -63.21 -42.46 4.13 0.01 95.86 1.45 0.70 1.66 95.27 0.91 0.00 0.00 0.00 44 P H H 74.46 2.59 14.58 17.77 91.88 49.77 -65.18 -39.47 1.95 0.00 98.05 0.62 0.16 0.97 97.17 1.07 0.00 0.00 0.00 45 L H H 97.98 2.33 14.92 17.55 91.91 50.59 -65.60 -40.00 0.68 0.00 99.32 0.15 0.06 0.38 98.44 0.98 0.00 0.00 0.00 46 L H H 94.02 2.33 15.46 17.94 92.26 49.90 -65.65 -40.03 0.65 0.00 99.35 0.14 0.05 0.36 99.01 0.43 0.00 0.00 0.00 47 Q H H 100.27 2.39 16.09 18.56 92.44 49.96 -65.63 -40.27 1.21 0.00 98.79 0.25 0.11 0.71 98.64 0.29 0.00 0.00 0.00 48 A H H 49.63 3.42 14.74 19.33 92.16 50.95 -64.34 -40.90 1.45 0.00 98.55 0.33 0.13 0.80 98.50 0.24 0.00 0.00 0.00 49 E H H 93.63 2.78 16.03 19.24 91.98 50.43 -64.37 -40.75 1.28 0.00 98.72 0.31 0.11 0.69 98.67 0.21 0.00 0.00 0.00 50 T H H 73.75 2.33 16.62 18.79 92.08 50.16 -64.94 -41.25 1.22 0.00 98.77 0.30 0.11 0.65 98.75 0.18 0.00 0.00 0.00 51 D H H 76.04 2.95 15.89 19.42 91.80 50.00 -64.93 -40.79 1.78 0.00 98.21 0.51 0.14 0.94 98.22 0.19 0.00 0.00 0.00 52 R H H 126.62 2.76 15.95 19.18 92.06 50.25 -64.79 -40.71 0.76 0.00 99.24 0.15 0.05 0.43 99.26 0.10 0.00 0.00 0.00 53 R H H 134.42 2.02 16.58 18.26 92.05 49.94 -64.66 -41.01 0.52 0.00 99.48 0.10 0.04 0.29 99.51 0.07 0.00 0.00 0.00 54 T H H 70.03 2.63 16.14 19.02 91.96 49.83 -64.40 -41.74 0.36 0.00 99.64 0.06 0.02 0.21 99.65 0.06 0.00 0.00 0.00 55 L H H 82.18 3.27 15.69 19.81 91.97 49.93 -64.47 -41.21 0.24 0.00 99.76 0.04 0.01 0.14 99.77 0.04 0.00 0.00 0.00 56 Q H H 97.44 2.26 16.70 18.74 91.73 50.31 -64.25 -40.95 0.26 0.00 99.73 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 57 M H H 97.18 2.31 16.80 18.96 91.96 49.88 -64.04 -41.05 0.38 0.00 99.62 0.05 0.02 0.24 99.64 0.06 0.00 0.00 0.00 58 L H H 76.35 5.01 15.55 21.84 92.21 50.60 -64.51 -40.78 0.43 0.00 99.57 0.07 0.02 0.25 99.60 0.05 0.00 0.00 0.00 59 R H H 126.95 3.25 16.92 20.76 92.06 50.56 -64.11 -41.47 0.27 0.00 99.73 0.04 0.01 0.16 99.75 0.04 0.00 0.00 0.00 60 E H H 103.12 1.94 18.30 19.24 91.71 49.74 -64.27 -41.35 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 61 N H H 71.97 4.31 17.19 22.49 92.01 49.68 -64.55 -40.64 0.35 0.00 99.65 0.04 0.01 0.21 99.70 0.04 0.00 0.00 0.00 62 L H H 59.69 8.94 15.38 25.60 92.11 51.15 -64.09 -40.99 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 63 E H H 109.08 2.72 18.90 21.41 91.80 50.67 -63.76 -41.39 0.16 0.00 99.84 0.02 0.01 0.09 99.86 0.02 0.00 0.00 0.00 64 E H H 104.28 2.26 19.40 20.83 91.69 49.00 -64.69 -41.38 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.04 0.00 0.00 0.00 65 E H H 62.19 9.11 16.37 26.77 92.07 49.46 -65.02 -40.33 0.35 0.00 99.65 0.03 0.01 0.24 99.64 0.07 0.00 0.00 0.00 66 A H H 31.56 9.51 14.41 25.63 91.61 52.55 -63.43 -40.37 0.58 0.00 99.42 0.04 0.03 0.43 99.09 0.41 0.00 0.00 0.00 67 I H H 105.89 1.81 18.99 19.56 92.17 50.56 -65.13 -40.66 1.67 0.00 98.32 0.05 0.06 1.57 96.92 1.40 0.00 0.00 0.00 68 I H H 92.66 3.67 16.86 21.05 92.13 48.70 -68.56 -34.17 4.99 0.00 95.01 0.09 0.16 5.07 93.62 1.04 0.01 0.00 0.00 69 M H H 43.46 13.72 10.69 25.10 96.48 44.83 -97.60 0.83 38.15 0.11 61.74 1.68 1.85 33.80 59.83 2.66 0.04 0.03 0.10 70 K C T 126.33 5.69 11.95 19.89 91.47 106.00 -60.69 -29.94 95.24 0.17 4.59 3.57 2.18 90.09 2.95 1.02 0.00 0.07 0.13 71 D C T 128.70 0.61 15.44 14.09 92.91 51.22 -88.41 -0.39 98.91 0.05 1.04 2.42 4.29 92.42 0.20 0.62 0.00 0.03 0.02 72 V C C 46.49 11.87 6.96 19.42 114.15 101.61 -91.04 123.76 99.51 0.38 0.11 52.21 46.90 0.27 0.05 0.04 0.00 0.07 0.46 73 P C T 109.81 1.30 14.35 15.39 108.69 -119.21 -63.48 139.44 97.82 0.08 2.10 0.74 3.93 92.53 0.04 2.69 0.00 0.04 0.04 74 D C T 118.51 1.92 14.96 17.35 94.03 15.30 69.85 13.27 98.24 0.05 1.70 1.15 3.26 93.39 0.03 2.11 0.00 0.03 0.02 75 W C C 64.12 16.50 8.25 23.85 115.11 133.16 -86.53 129.51 96.14 2.10 1.76 86.61 7.38 1.42 0.18 2.06 0.00 0.76 1.59 76 K C C 126.46 2.27 20.69 22.95 126.93 -170.21 -126.02 148.07 97.12 2.66 0.22 94.37 2.21 0.41 0.07 0.11 0.00 0.68 2.15 77 V C T 78.52 11.59 12.26 24.28 111.15 -102.02 -62.57 135.50 98.68 0.84 0.48 3.07 4.38 91.35 0.05 0.36 0.00 0.44 0.35 78 G C T 47.39 4.01 17.13 22.04 95.84 23.43 86.68 -5.20 99.61 0.17 0.22 2.68 4.57 92.39 0.02 0.20 0.00 0.10 0.05 79 E C C 83.85 6.74 14.71 23.21 117.47 128.58 -74.93 145.09 99.07 0.72 0.21 79.40 19.04 0.56 0.06 0.13 0.00 0.22 0.60 80 S C C 52.71 7.51 14.82 23.67 113.87 -111.21 -76.51 139.01 78.95 20.19 0.86 74.01 1.77 0.38 0.41 0.27 0.00 3.95 19.20 81 V C T 54.52 12.97 12.01 25.48 97.34 -155.25 -79.50 -22.87 82.37 3.27 14.35 23.22 18.83 39.66 1.19 13.75 0.02 1.70 1.62 82 F C T 104.75 8.00 12.69 21.59 102.63 57.07 -90.63 2.70 82.41 4.92 12.67 13.62 21.31 46.85 1.07 12.13 0.04 2.85 2.13 83 H C C 148.32 2.06 13.53 16.18 101.48 24.80 -89.35 25.71 82.24 5.49 12.27 35.25 23.86 22.74 1.41 11.03 0.04 2.45 3.22 84 T C C 54.69 6.81 8.42 17.07 128.85 97.52 -120.77 163.38 94.91 3.66 1.43 61.17 27.26 6.08 0.47 0.91 0.00 1.41 2.70 85 T C S 123.01 0.85 12.29 12.73 95.98 -125.99 -82.63 -4.37 99.03 0.52 0.46 17.79 71.61 9.72 0.07 0.33 0.00 0.27 0.21 86 R C S 149.16 2.22 12.18 15.71 121.40 83.85 -102.95 148.73 97.69 1.95 0.36 16.62 75.24 6.03 0.05 0.27 0.00 1.12 0.66 87 W C C 138.77 8.84 10.08 20.19 113.84 -112.65 -79.46 131.94 87.08 12.67 0.25 71.07 14.29 1.69 0.07 0.23 0.00 6.57 6.07 88 V C C 63.78 7.16 14.35 23.47 122.02 -170.12 -121.01 134.07 83.24 16.70 0.06 78.56 5.96 0.13 0.03 0.03 0.00 8.46 6.82 89 P C C 78.72 6.64 17.18 24.92 114.85 -108.71 -68.36 146.43 97.42 2.57 0.01 96.45 1.47 0.05 0.00 0.01 0.00 1.67 0.36 90 P C C 29.36 18.11 10.88 28.57 115.06 -107.31 -67.18 148.74 93.02 6.78 0.19 92.29 1.36 0.13 0.12 0.04 0.00 2.17 3.89 91 L C C 86.25 3.77 19.58 23.23 116.44 -112.90 -76.03 152.19 92.89 6.40 0.71 89.91 2.15 0.23 0.58 0.10 0.00 1.31 5.72 92 I H H 92.43 10.07 12.54 23.48 92.79 -112.60 -59.06 -38.36 13.74 0.10 86.16 1.77 1.87 10.09 77.79 8.28 0.09 0.05 0.06 93 G H H 45.79 2.61 16.20 19.17 92.19 55.32 -63.77 -35.68 9.77 0.04 90.19 0.83 0.84 7.73 81.40 9.12 0.03 0.02 0.02 94 E H H 89.60 5.93 16.11 23.13 92.72 50.76 -69.49 -35.68 5.19 0.04 94.77 0.75 0.55 3.55 83.17 11.92 0.02 0.03 0.01 95 L H H 31.33 16.51 12.37 28.81 94.05 48.73 -71.37 -35.80 6.97 0.06 92.96 1.01 0.75 4.87 82.86 10.42 0.02 0.04 0.02 96 Y H H 99.72 9.94 13.90 24.68 93.38 54.17 -71.61 -25.38 19.39 0.24 80.37 2.13 2.08 14.54 67.02 13.79 0.17 0.13 0.14 97 G H H 52.12 2.40 16.04 18.95 92.95 65.46 -69.83 -20.98 49.03 0.19 50.78 2.81 3.70 41.40 42.61 9.17 0.05 0.09 0.17 98 L C T 101.71 5.41 14.36 20.89 97.37 52.11 -90.68 -9.85 65.54 0.35 34.10 6.41 8.67 49.50 26.46 8.48 0.03 0.15 0.31 99 R C S 72.29 12.60 9.12 22.13 125.74 76.67 -108.15 150.31 99.20 0.54 0.26 17.63 81.31 0.37 0.16 0.05 0.00 0.13 0.36 100 T C C 73.05 2.70 15.68 18.64 116.38 -103.29 -66.95 154.65 99.33 0.47 0.20 98.68 0.68 0.11 0.13 0.02 0.00 0.12 0.26 101 T H H 93.70 4.52 11.63 18.13 92.61 -109.41 -58.64 -37.74 3.37 0.01 96.62 0.76 0.51 1.94 94.20 2.58 0.00 0.00 0.00 102 E H H 129.70 1.80 15.12 16.95 92.38 54.42 -64.69 -39.27 1.94 0.01 98.05 0.24 0.19 1.36 95.12 3.08 0.00 0.00 0.00 103 E H H 88.01 5.09 14.43 20.97 92.38 49.42 -66.93 -38.83 1.05 0.01 98.94 0.20 0.10 0.64 95.90 3.15 0.00 0.00 0.00 104 A H H 30.00 10.25 11.97 23.83 92.59 52.64 -65.16 -39.99 1.75 0.01 98.23 0.38 0.19 1.03 95.89 2.49 0.00 0.01 0.00 105 L H H 86.04 4.52 15.48 21.09 92.83 50.82 -66.03 -37.03 10.11 0.06 89.83 1.30 0.86 7.70 87.01 3.05 0.02 0.03 0.02 106 H H H 113.72 3.56 15.18 19.51 94.61 50.55 -73.13 -25.63 24.14 0.13 75.73 3.95 2.26 17.71 72.28 3.65 0.03 0.06 0.07 107 A H H 47.01 9.23 12.10 22.54 96.46 67.71 -71.20 -26.55 36.98 0.56 62.46 12.59 6.10 19.25 54.97 6.47 0.05 0.26 0.32 108 S C H 66.80 5.70 14.21 21.01 100.00 56.02 -82.45 -13.85 51.12 1.31 47.57 15.97 8.21 27.71 38.72 7.99 0.08 0.63 0.69 109 H C T 111.07 5.32 13.13 19.67 103.08 53.04 -91.29 9.84 62.35 2.22 35.43 19.84 15.15 28.52 24.49 9.59 0.11 0.97 1.33 110 G C T 39.34 6.23 13.42 20.82 104.56 -25.01 68.43 -23.11 70.63 1.96 27.41 25.67 17.08 28.81 11.38 15.04 0.03 0.93 1.05 111 F C C 108.34 7.46 11.38 20.00 99.62 59.45 -78.38 -4.53 65.10 3.32 31.58 32.11 13.69 20.23 10.59 20.20 0.02 1.81 1.35 112 M C C 108.35 5.46 12.07 18.94 98.60 83.59 -76.51 -19.02 62.20 6.12 31.68 36.27 11.63 15.20 10.44 20.70 0.03 3.79 1.94 113 W C C 162.41 4.25 11.85 17.53 98.36 66.52 -81.97 -11.41 67.56 6.47 25.98 37.80 12.92 17.96 8.27 16.89 0.02 4.33 1.81 114 Y C C 134.72 5.75 10.18 17.42 106.55 68.25 -93.16 57.83 82.00 4.52 13.48 68.62 2.54 12.33 5.59 6.16 0.00 3.16 1.58 115 T C C 77.57 7.44 11.63 20.25 110.83 92.61 -96.44 104.02 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.00