# 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 80.33 11.81 16.67 28.39 114.76 -156.89 -92.98 128.07 99.54 0.33 0.13 99.47 0.13 0.09 0.07 0.01 0.00 0.18 0.04 1 V C C 65.63 10.53 14.02 25.18 113.10 -159.68 -96.41 125.26 72.88 10.97 16.15 67.15 1.60 3.85 14.32 2.18 0.00 7.77 3.12 2 Y C C 109.05 8.92 13.38 23.26 111.64 -156.07 -94.63 120.81 63.78 13.53 22.70 46.60 8.53 7.47 19.86 4.13 0.04 10.72 2.65 3 T C C 59.50 9.05 14.19 24.23 112.27 -154.29 -91.26 142.01 61.84 11.07 27.09 43.65 9.66 7.52 23.39 4.91 0.04 8.78 2.07 4 R C H 120.35 9.21 14.73 24.37 98.82 -137.74 -74.30 -21.20 46.11 8.55 45.34 25.72 10.73 11.16 35.06 8.91 0.25 6.40 1.77 5 W H H 119.86 8.94 14.55 24.27 102.82 71.72 -80.94 -10.45 42.60 7.77 49.62 20.75 9.35 13.98 35.92 12.22 0.37 5.66 1.75 6 K H H 104.05 7.81 17.25 25.52 103.07 69.17 -81.43 5.46 42.11 7.92 49.97 21.65 8.55 13.26 35.30 13.41 0.29 5.62 1.92 7 C H H 32.12 16.61 12.91 28.93 101.94 95.30 -81.80 -10.68 45.26 5.72 49.02 24.32 8.12 13.28 31.23 17.44 0.13 3.68 1.80 8 D C T 76.84 8.75 17.11 26.39 98.27 78.68 -75.61 -16.24 57.20 3.96 38.84 20.05 10.88 26.41 23.94 14.63 0.20 2.48 1.42 9 R C T 124.07 7.71 17.73 25.83 100.15 57.21 -89.56 -5.44 60.34 4.38 35.28 20.15 12.54 28.19 21.21 13.38 0.21 2.68 1.65 10 L C C 42.76 15.63 14.44 30.15 113.40 93.94 -89.28 126.54 73.12 2.92 23.96 44.85 23.89 4.51 21.41 2.86 0.01 1.30 1.16 11 P H H 56.13 10.42 19.18 30.17 100.40 -123.61 -64.88 -24.65 44.93 2.98 52.08 25.96 6.27 12.78 40.22 11.80 0.04 2.18 0.75 12 V H H 47.21 15.36 17.82 32.45 97.05 64.34 -69.40 -30.24 33.28 7.10 59.63 14.36 6.11 13.51 43.94 14.64 0.32 5.81 1.32 13 F H H 59.85 14.73 18.68 32.94 96.63 55.99 -75.19 -23.15 30.45 8.23 61.32 16.36 5.54 9.38 44.83 15.43 0.20 6.91 1.36 14 Q H H 58.13 13.53 20.65 33.71 97.54 67.08 -70.73 -31.34 32.15 6.52 61.33 20.85 5.91 6.82 49.18 10.58 0.08 5.58 0.99 15 L H H 35.40 18.53 18.88 36.21 95.44 55.07 -68.87 -32.76 20.23 5.33 74.45 10.78 3.58 6.68 55.99 17.32 0.11 4.86 0.68 16 K H H 88.45 11.75 21.84 32.75 95.11 61.21 -70.25 -30.61 18.31 4.67 77.02 7.70 2.91 7.54 56.49 20.28 0.12 4.41 0.55 17 L H H 40.38 15.33 20.15 34.86 95.72 58.80 -74.30 -29.26 21.22 4.35 74.44 7.78 3.57 9.73 53.28 20.94 0.23 3.75 0.71 18 F H H 38.96 18.25 18.45 35.82 100.38 51.40 -86.18 -4.86 33.05 8.06 58.89 14.45 6.50 13.43 43.34 13.95 0.47 5.83 2.01 19 T C H 36.45 14.69 16.78 31.45 107.29 70.38 -92.04 24.10 50.46 7.62 41.91 27.16 9.27 15.34 32.27 8.60 0.15 4.58 2.61 20 Q C T 99.87 8.10 17.17 25.73 97.90 81.22 -74.33 -19.01 67.77 2.21 30.02 13.72 13.65 39.97 22.43 7.88 0.11 1.21 1.03 21 E C T 111.05 6.69 17.09 24.29 99.07 53.66 -83.71 -14.76 72.51 1.69 25.80 17.06 15.40 40.38 17.63 7.74 0.05 0.87 0.88 22 Y C C 68.65 12.71 13.02 26.40 110.37 53.99 -115.39 94.88 88.67 1.17 10.16 57.89 26.90 3.37 9.26 1.45 0.00 0.41 0.72 23 P H H 75.25 8.88 16.17 26.08 94.82 -162.54 -63.57 -31.49 38.00 0.48 61.52 9.20 4.84 23.53 48.69 13.17 0.06 0.27 0.25 24 M H H 102.62 6.67 19.40 26.50 93.53 58.24 -68.44 -31.20 32.22 0.68 67.10 5.63 4.16 21.95 53.49 13.85 0.19 0.41 0.33 25 H H H 46.47 16.56 18.42 34.23 95.47 51.36 -78.85 -25.54 21.12 1.20 77.68 9.00 3.21 9.18 62.99 14.38 0.06 0.82 0.36 26 A H H 15.24 19.55 18.64 37.58 92.42 69.15 -62.48 -42.17 12.22 0.63 87.15 6.14 2.03 4.85 83.63 2.68 0.04 0.41 0.22 27 A H H 40.65 10.73 24.51 35.04 92.31 52.70 -64.44 -40.37 7.99 0.59 91.41 3.36 1.07 3.72 89.40 1.84 0.03 0.42 0.17 28 V H H 39.62 12.67 25.09 37.74 92.27 50.15 -65.11 -41.97 3.35 0.34 96.31 1.64 0.48 1.37 94.92 1.23 0.01 0.27 0.08 29 G H H 3.63 22.42 22.06 43.95 91.92 51.14 -63.80 -43.20 2.00 0.17 97.83 0.95 0.27 0.87 97.28 0.47 0.01 0.10 0.04 30 I H H 28.99 18.66 25.19 42.78 91.51 49.46 -63.67 -42.60 0.85 0.05 99.11 0.33 0.10 0.41 98.93 0.19 0.00 0.02 0.01 31 F H H 72.80 10.48 26.96 37.73 91.72 49.93 -64.23 -42.23 0.33 0.01 99.67 0.10 0.03 0.16 99.63 0.07 0.00 0.00 0.00 32 T H H 12.64 19.37 23.77 42.58 91.59 50.05 -64.19 -42.81 0.24 0.00 99.76 0.04 0.01 0.14 99.76 0.04 0.00 0.00 0.00 33 I H H 9.83 23.33 23.36 45.93 91.56 50.35 -63.97 -42.47 0.16 0.00 99.84 0.02 0.01 0.11 99.84 0.03 0.00 0.00 0.00 34 I H H 48.02 12.60 25.37 37.86 91.58 50.28 -64.17 -42.62 0.16 0.00 99.84 0.02 0.01 0.11 99.82 0.04 0.00 0.00 0.00 35 F H H 49.77 12.38 24.63 37.27 91.90 49.85 -64.60 -43.00 0.31 0.01 99.69 0.03 0.01 0.23 99.62 0.11 0.00 0.00 0.00 36 L H H 8.98 22.86 21.02 43.37 91.47 49.74 -64.15 -42.93 0.55 0.01 99.44 0.05 0.03 0.44 99.24 0.24 0.00 0.01 0.00 37 W H H 54.58 17.51 21.80 38.33 91.97 50.08 -64.92 -41.27 1.21 0.01 98.79 0.09 0.06 1.01 98.19 0.64 0.00 0.01 0.00 38 K H H 94.50 7.68 23.74 31.48 92.31 50.19 -65.70 -39.11 5.86 0.02 94.12 0.28 0.26 5.44 92.78 1.21 0.01 0.01 0.01 39 H H H 48.06 14.67 19.76 34.30 94.21 44.79 -75.67 -29.49 16.26 0.07 83.66 1.14 1.05 14.16 81.54 2.01 0.03 0.03 0.04 40 M H H 29.13 20.73 16.34 36.18 94.75 65.91 -70.41 -22.81 34.30 1.67 64.04 10.08 5.67 19.69 55.07 7.62 0.20 0.91 0.76 41 S C H 60.40 8.85 21.04 29.81 96.33 76.42 -77.20 -14.92 53.87 3.77 42.36 14.19 7.81 31.57 34.18 8.34 0.21 2.49 1.21 42 H C T 96.96 7.94 21.10 29.36 114.04 47.22 -108.08 109.10 57.96 9.55 32.49 20.52 11.09 26.99 23.98 8.09 0.37 6.40 2.55 43 C C C 21.31 20.99 12.67 32.70 121.24 117.45 -100.35 139.49 74.63 14.34 11.03 46.61 20.08 7.74 9.08 2.77 0.08 8.36 5.28 44 S C C 39.73 7.16 19.45 27.47 122.57 -130.37 -88.39 163.19 86.15 8.14 5.70 70.69 11.57 3.14 5.17 1.30 0.00 5.05 3.07 45 E H H 116.01 7.20 15.31 23.82 92.36 -105.02 -60.52 -34.41 38.98 1.52 59.51 8.35 10.12 21.84 48.93 8.90 0.34 0.90 0.64 46 E H H 114.38 3.03 18.14 21.47 93.01 55.61 -67.74 -35.74 37.85 0.99 61.16 6.03 6.89 25.05 50.81 9.90 0.27 0.62 0.43 47 T H H 23.81 14.16 13.78 28.84 95.18 49.04 -72.25 -32.81 35.93 2.86 61.22 10.83 7.55 19.09 48.60 10.59 0.40 1.92 1.02 48 E H H 52.65 15.28 13.57 28.70 94.05 58.53 -68.04 -31.40 37.18 5.64 57.18 20.20 8.25 11.66 47.43 6.95 0.18 3.66 1.66 49 R C H 136.39 4.92 17.14 22.95 95.30 58.20 -74.12 -24.02 47.50 7.47 45.04 24.51 8.90 15.84 36.78 6.73 0.16 5.04 2.04 50 K C H 113.85 6.13 16.65 23.59 98.61 57.06 -82.85 -16.82 54.85 7.89 37.25 24.29 11.56 20.19 29.70 6.69 0.20 5.29 2.06 51 Y C T 97.11 11.43 15.52 27.13 107.86 35.78 -102.30 46.00 64.72 8.68 26.59 24.58 16.71 24.60 20.04 6.07 0.23 5.40 2.37 52 G C C 31.00 10.35 18.11 28.66 108.00 -104.58 83.64 -1.15 75.36 11.39 13.25 29.26 21.96 25.92 6.63 5.83 0.05 8.39 1.95 53 W C C 87.63 14.07 17.82 31.62 112.46 54.82 -92.75 124.61 58.30 27.26 14.44 28.04 15.23 17.65 6.96 7.08 0.22 20.67 4.15 54 W C E 75.12 15.06 19.01 33.73 110.09 -150.14 -97.78 88.50 43.52 42.75 13.73 22.90 9.92 12.97 7.45 6.50 0.51 31.96 7.79 55 A C T 36.04 14.56 19.17 33.45 113.42 -116.90 -86.96 126.42 59.13 31.45 9.42 18.57 11.95 31.76 4.33 4.72 0.16 24.57 3.95 56 G C T 25.59 12.92 19.81 32.31 106.43 27.34 92.77 -14.64 78.19 14.24 7.57 21.82 22.31 36.26 2.64 4.16 0.04 10.46 2.30 57 Y C C 60.44 14.44 17.51 32.12 117.05 83.35 -95.88 133.99 74.03 10.85 15.13 45.05 20.90 8.71 8.24 6.59 0.08 6.43 4.01 58 P C C 45.63 11.32 18.87 30.86 98.28 -108.58 -65.36 -23.79 58.96 5.37 35.68 29.16 10.72 20.33 12.98 21.65 0.04 3.38 1.74 59 Y H G 69.78 14.61 16.93 31.22 95.24 64.93 -69.37 -26.45 45.41 6.62 47.97 16.98 9.71 20.88 15.59 30.37 0.18 4.15 2.13 60 W C G 94.09 12.71 16.60 29.32 95.48 59.04 -76.74 -20.10 46.52 7.66 45.82 19.51 10.38 19.00 15.09 28.63 0.17 4.84 2.36 61 R C C 120.70 7.81 17.78 26.11 98.80 56.69 -87.58 -11.62 57.99 7.17 34.84 25.49 16.46 18.20 13.02 19.87 0.17 3.80 3.00 62 D C C 37.71 12.61 12.61 26.40 111.86 89.17 -93.12 116.20 94.67 1.43 3.91 67.97 24.86 1.60 3.58 0.62 0.00 0.56 0.81 63 P H H 73.48 5.26 16.98 23.69 93.25 -146.29 -62.35 -29.03 36.05 0.66 63.29 8.77 4.94 22.41 53.34 9.77 0.08 0.42 0.28 64 I H H 59.92 8.30 16.01 25.72 92.33 56.28 -67.00 -34.59 30.08 1.24 68.68 6.91 4.52 18.84 56.18 11.96 0.25 0.88 0.46 65 A H H 17.54 15.18 11.81 27.66 92.49 55.69 -66.44 -34.33 22.92 2.42 74.66 11.84 4.49 7.78 58.80 14.66 0.09 1.77 0.58 66 R H H 134.29 5.54 15.74 22.34 93.10 55.68 -68.44 -34.55 22.20 2.49 75.31 10.86 4.49 8.37 60.63 13.07 0.14 1.78 0.66 67 R H H 161.06 1.96 16.39 18.14 95.03 50.38 -76.52 -27.32 34.00 1.93 64.07 8.76 6.77 19.03 51.59 11.64 0.29 1.23 0.68 68 N C H 64.58 8.62 13.10 22.96 105.71 31.25 -115.91 54.54 61.69 1.25 37.07 28.71 7.36 26.64 29.38 6.63 0.02 0.58 0.68 69 E H H 84.24 12.05 12.14 24.65 94.26 151.41 -62.03 -38.26 8.73 0.12 91.14 5.45 1.50 2.33 89.36 1.27 0.00 0.06 0.04 70 T H H 91.82 1.57 19.25 19.44 92.38 53.40 -64.48 -40.93 2.34 0.04 97.62 0.74 0.32 1.29 96.61 0.99 0.01 0.02 0.01 71 K H H 92.47 5.60 18.65 25.04 92.06 49.20 -65.89 -40.59 1.26 0.04 98.71 0.42 0.17 0.71 97.68 0.98 0.01 0.02 0.01 72 Y H H 17.67 20.48 13.24 33.68 91.78 50.27 -64.29 -42.64 0.74 0.02 99.23 0.23 0.10 0.41 98.65 0.58 0.00 0.01 0.00 73 K H H 92.35 8.88 19.17 28.65 91.44 51.93 -62.53 -41.29 0.90 0.03 99.07 0.21 0.09 0.57 98.64 0.47 0.01 0.02 0.00 74 Q H H 100.37 2.09 21.96 22.43 91.81 50.25 -65.15 -40.69 1.96 0.04 98.00 0.29 0.15 1.45 97.36 0.71 0.01 0.02 0.01 75 M H H 33.28 12.82 17.06 30.97 92.10 49.88 -65.57 -41.45 4.24 0.07 95.70 0.65 0.38 3.10 94.68 1.11 0.02 0.04 0.02 76 I H H 20.70 19.30 13.65 32.59 93.44 48.27 -68.82 -37.93 11.47 0.40 88.13 3.17 1.52 7.15 85.67 2.07 0.05 0.21 0.14 77 I H H 101.57 4.85 17.51 23.15 93.40 52.37 -69.15 -32.26 26.73 0.39 72.88 3.74 2.61 20.21 70.95 2.07 0.07 0.18 0.19 78 N H H 109.89 2.41 17.07 19.46 99.06 43.42 -90.98 2.33 49.18 0.47 50.34 5.78 6.21 36.02 49.48 2.01 0.06 0.19 0.25 79 N C S 64.69 13.82 11.75 25.03 108.35 84.24 -97.84 66.33 84.41 1.88 13.71 23.94 35.15 25.74 10.36 2.96 0.03 0.79 1.03 80 D C C 108.53 3.12 19.13 22.84 100.13 155.08 -85.52 34.93 90.46 4.56 4.98 53.11 15.22 22.52 2.44 2.34 0.00 3.05 1.31 81 V C C 29.35 18.52 11.31 29.31 116.12 139.43 -93.09 130.80 82.88 12.50 4.62 65.12 13.01 3.97 2.97 1.90 0.00 7.85 5.17 82 D C C 71.82 6.67 21.35 28.44 109.52 -148.68 -92.66 112.57 85.34 11.85 2.81 79.75 3.16 2.23 1.63 1.08 0.00 7.65 4.51 83 I C T 41.32 19.80 13.27 32.23 96.54 -167.28 -77.06 -12.86 93.21 3.84 2.95 23.32 15.10 55.41 1.03 1.65 0.00 2.42 1.06 84 T C T 78.84 7.08 17.77 25.60 96.07 65.86 -86.50 -9.67 94.81 2.38 2.81 13.73 24.74 56.71 0.73 1.83 0.00 1.49 0.76 85 H C S 93.97 6.69 15.18 23.48 112.32 80.77 -95.59 116.29 96.20 2.38 1.41 34.98 58.81 2.64 0.47 0.75 0.00 0.96 1.39 86 P C C 71.75 10.67 13.46 24.89 102.58 -134.93 -65.06 36.12 87.31 1.61 11.08 40.88 14.99 31.63 2.17 8.74 0.00 0.88 0.71 87 K C C 127.24 5.34 17.82 24.10 104.86 78.79 -85.49 49.14 78.69 6.96 14.36 36.80 14.21 28.65 3.14 10.52 0.02 3.93 2.74 88 W C C 60.83 18.36 12.21 29.49 107.35 118.50 -88.95 98.32 74.69 11.51 13.80 52.44 11.03 10.53 3.91 10.14 0.02 6.94 4.99 89 T C C 71.83 8.98 18.41 27.90 108.44 151.92 -98.20 44.86 81.66 10.84 7.50 39.97 14.82 28.26 2.76 4.12 0.03 6.59 3.46 90 G C T 40.74 8.25 19.29 27.86 102.59 -16.11 88.99 -0.02 86.82 8.63 4.54 22.43 32.77 32.79 1.31 2.83 0.01 5.94 1.93 91 C C C 22.81 18.59 12.00 30.16 120.25 113.40 -95.21 143.36 87.42 11.26 1.32 48.38 38.58 1.50 0.84 0.49 0.00 5.86 4.34 92 S C C 48.47 4.50 20.04 24.91 116.11 -108.39 -70.56 151.71 89.53 9.52 0.95 88.01 1.82 0.33 0.76 0.18 0.00 4.25 4.65 93 V H H 81.55 9.99 13.36 24.28 92.17 -114.66 -58.98 -37.94 2.10 0.01 97.89 0.59 0.30 1.07 96.82 1.21 0.00 0.01 0.00 94 E H H 132.39 1.30 18.98 18.82 91.72 54.67 -64.00 -40.06 1.09 0.01 98.90 0.21 0.10 0.69 97.57 1.42 0.00 0.01 0.00 95 Q H H 60.19 9.66 16.71 27.51 92.24 49.31 -66.59 -39.75 0.55 0.01 99.44 0.13 0.05 0.33 98.06 1.43 0.00 0.01 0.00 96 L H H 14.31 19.87 12.71 32.53 91.69 51.31 -63.89 -42.01 0.57 0.01 99.43 0.15 0.05 0.31 98.76 0.72 0.00 0.01 0.00 97 E H H 99.32 3.48 19.95 23.52 91.61 51.30 -63.49 -40.40 2.27 0.02 97.71 0.40 0.19 1.50 96.98 0.91 0.00 0.01 0.01 98 E H H 99.36 3.18 19.43 22.55 91.68 51.04 -65.16 -39.64 4.26 0.03 95.71 0.64 0.35 3.00 94.53 1.46 0.01 0.02 0.01 99 L H H 18.39 18.53 12.93 31.58 92.28 51.47 -66.18 -36.86 7.29 0.09 92.62 2.42 0.89 3.95 89.95 2.69 0.01 0.05 0.03 100 S H H 50.73 11.33 14.71 26.56 91.87 61.03 -66.02 -27.45 23.27 0.39 76.34 5.23 2.24 15.82 72.35 3.94 0.04 0.23 0.17 101 R H H 171.19 1.39 16.87 17.66 93.29 59.05 -74.27 -18.99 46.67 0.80 52.53 9.18 3.78 32.85 49.29 4.05 0.05 0.44 0.36 102 V C H 71.60 9.38 12.35 22.54 99.99 64.20 -81.83 -17.72 56.83 1.52 41.65 31.10 2.23 22.60 40.19 2.37 0.01 0.71 0.77 103 V C C 60.10 13.99 12.97 26.53 110.74 80.41 -94.80 102.75 99.79 0.15 0.06 99.66 0.12 0.08 0.04 0.00 0.00 0.08 0.02