# 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 107.94 4.87 11.78 18.01 107.23 -137.11 -83.38 108.98 99.94 0.03 0.03 99.90 0.04 0.03 0.01 0.00 0.00 0.01 0.00 1 I C C 110.16 3.20 10.07 14.65 100.13 122.22 -76.60 -24.77 73.64 1.96 24.40 67.85 1.01 6.28 19.76 3.15 0.00 0.84 1.11 2 M C H 112.89 3.34 9.81 14.67 96.32 66.08 -69.53 -32.95 53.92 1.33 44.75 34.04 7.36 13.40 34.38 9.48 0.01 0.69 0.64 3 I H H 106.09 2.80 10.94 14.92 94.04 58.32 -67.98 -36.12 33.63 0.89 65.48 19.06 4.79 10.07 46.92 18.27 0.03 0.52 0.34 4 L H H 102.46 2.48 12.06 15.39 93.69 54.96 -67.30 -37.13 14.89 0.30 84.81 5.36 2.08 6.37 58.17 27.73 0.02 0.19 0.08 5 Y H H 123.30 4.54 12.16 18.09 94.19 51.84 -69.70 -36.14 13.23 0.17 86.60 2.89 1.51 7.38 59.84 28.21 0.03 0.10 0.05 6 W H H 130.45 5.84 12.70 19.71 94.45 51.14 -71.68 -33.84 24.61 0.15 75.24 2.40 2.22 17.51 54.44 23.21 0.05 0.08 0.09 7 S H H 59.35 3.53 14.93 19.14 94.03 54.36 -68.12 -36.28 22.17 0.08 77.75 2.31 2.17 17.00 69.91 8.47 0.04 0.03 0.06 8 L H H 83.67 3.82 16.24 20.70 93.04 55.64 -64.74 -41.44 4.31 0.01 95.68 1.06 0.58 2.43 94.48 1.45 0.00 0.00 0.00 9 P H H 42.22 10.05 14.30 25.65 92.08 51.34 -64.46 -40.12 2.19 0.01 97.80 0.44 0.15 1.39 96.70 1.30 0.00 0.00 0.00 10 M H H 88.94 5.30 17.28 23.36 92.20 50.99 -65.06 -40.50 0.62 0.00 99.38 0.09 0.04 0.39 98.53 0.93 0.00 0.00 0.00 11 I H H 92.83 2.76 18.86 21.04 91.98 50.32 -64.63 -41.67 0.19 0.00 99.81 0.02 0.01 0.11 99.68 0.17 0.00 0.00 0.00 12 L H H 62.63 8.60 16.81 26.31 91.94 50.21 -64.76 -41.51 0.13 0.00 99.87 0.01 0.00 0.09 99.80 0.09 0.00 0.00 0.00 13 F H H 72.82 11.32 16.48 28.25 92.04 50.15 -64.73 -41.46 0.14 0.00 99.86 0.01 0.00 0.10 99.81 0.08 0.00 0.00 0.00 14 I H H 93.78 3.22 20.70 23.36 92.06 48.50 -64.54 -41.75 0.17 0.00 99.83 0.01 0.00 0.12 99.79 0.07 0.00 0.00 0.00 15 L H H 81.00 4.07 20.24 24.10 91.84 49.79 -64.72 -41.46 0.29 0.00 99.71 0.02 0.01 0.22 99.62 0.13 0.00 0.00 0.00 16 G H H 12.40 14.11 14.80 30.07 91.58 51.84 -63.61 -41.83 0.60 0.00 99.40 0.03 0.02 0.47 99.20 0.28 0.00 0.00 0.00 17 L H H 73.97 7.17 18.89 26.86 91.84 50.56 -64.15 -41.19 0.73 0.00 99.27 0.04 0.03 0.60 98.81 0.52 0.00 0.00 0.00 18 F H H 118.25 2.41 20.87 21.86 91.93 50.22 -64.71 -41.45 0.90 0.00 99.10 0.06 0.05 0.73 98.16 0.99 0.00 0.00 0.00 19 C H H 38.72 9.31 16.04 26.76 92.07 50.55 -64.90 -41.19 1.83 0.01 98.16 0.12 0.12 1.55 96.43 1.78 0.01 0.00 0.00 20 F H H 65.31 12.78 14.21 27.39 92.36 49.83 -65.92 -37.96 3.83 0.01 96.16 0.19 0.24 3.41 93.91 2.23 0.01 0.01 0.01 21 V H H 95.75 2.97 17.19 20.41 93.65 49.65 -71.26 -31.45 12.65 0.04 87.31 0.74 1.12 10.87 85.07 2.10 0.04 0.02 0.03 22 S H H 67.98 3.32 15.44 19.13 97.88 53.36 -84.46 -13.32 41.38 0.58 58.05 6.51 7.86 27.98 54.20 2.70 0.16 0.20 0.39 23 N C C 66.25 10.38 10.84 21.95 106.47 90.32 -92.37 84.08 77.63 2.21 20.16 44.19 11.03 22.19 16.80 3.57 0.01 0.96 1.26 24 R C T 148.59 4.99 13.03 19.55 98.18 164.48 -80.64 -9.81 84.59 1.77 13.64 28.62 19.19 37.58 8.41 4.49 0.02 0.80 0.89 25 K C T 148.53 2.28 15.16 17.74 99.46 55.15 -87.68 -11.64 87.29 1.22 11.49 22.50 30.72 34.79 6.37 4.39 0.01 0.57 0.66 26 H C C 87.49 6.16 13.31 21.09 115.19 51.21 -110.57 128.62 83.22 5.64 11.14 60.06 19.36 2.97 9.57 1.82 0.00 1.46 4.75 27 L H H 87.42 7.82 13.54 22.90 93.59 -140.51 -62.24 -37.66 5.32 0.02 94.66 1.18 0.87 3.12 93.47 1.34 0.00 0.01 0.01 28 L H H 95.93 4.09 16.98 21.63 91.93 54.03 -64.43 -40.09 2.41 0.01 97.59 0.34 0.21 1.67 96.65 1.14 0.00 0.00 0.00 29 S H H 40.29 6.20 17.07 24.74 91.72 50.36 -65.61 -39.67 0.78 0.00 99.22 0.16 0.06 0.47 98.25 1.06 0.00 0.00 0.00 30 M H H 46.82 12.03 15.66 28.73 92.01 51.83 -64.20 -41.61 0.37 0.00 99.63 0.07 0.03 0.20 99.39 0.31 0.00 0.00 0.00 31 L H H 64.28 9.42 18.70 28.79 91.82 50.60 -64.25 -41.59 0.36 0.00 99.63 0.04 0.02 0.24 99.54 0.15 0.00 0.00 0.00 32 L H H 82.27 4.57 20.98 25.64 91.90 50.12 -64.79 -41.34 0.56 0.00 99.44 0.04 0.02 0.41 99.42 0.10 0.00 0.00 0.00 33 S H H 31.62 8.69 18.47 28.58 91.89 50.94 -64.15 -41.36 0.49 0.00 99.51 0.06 0.02 0.33 99.52 0.08 0.00 0.00 0.00 34 L H H 49.09 11.67 18.64 30.96 92.04 50.50 -64.24 -41.07 0.23 0.00 99.77 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 35 E H H 73.86 8.45 19.05 28.29 91.91 51.83 -63.92 -41.40 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 36 F H H 103.00 4.46 20.95 25.37 91.94 50.14 -64.91 -41.39 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 37 I H H 61.38 8.27 18.98 28.26 92.14 49.64 -64.11 -42.28 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 38 V H H 42.79 11.68 17.52 29.93 91.84 49.26 -64.22 -41.88 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 39 L H H 77.38 5.71 19.52 25.81 91.85 50.13 -64.55 -41.16 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 40 M H H 82.14 4.36 19.50 24.14 91.87 50.72 -64.65 -41.12 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 41 L H H 55.82 9.31 17.48 27.83 92.01 50.64 -64.59 -41.24 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 42 F H H 74.95 10.04 16.99 27.68 92.04 50.70 -64.11 -41.51 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 43 F H H 109.84 3.40 19.40 22.85 91.81 50.00 -64.60 -41.56 0.08 0.00 99.92 0.00 0.00 0.06 99.89 0.04 0.00 0.00 0.00 44 M H H 85.93 4.57 18.53 23.65 91.90 50.52 -64.88 -41.31 0.12 0.00 99.88 0.00 0.00 0.10 99.81 0.08 0.00 0.00 0.00 45 L H H 51.46 10.40 16.02 27.50 92.07 50.08 -64.80 -41.32 0.24 0.00 99.76 0.00 0.01 0.21 99.63 0.15 0.00 0.00 0.00 46 F H H 88.89 7.13 16.71 24.90 92.15 50.88 -64.78 -41.10 0.49 0.00 99.51 0.02 0.02 0.42 99.20 0.34 0.00 0.00 0.00 47 I H H 87.67 2.86 17.95 20.69 91.84 50.56 -64.78 -41.69 1.19 0.00 98.81 0.05 0.05 1.02 98.08 0.81 0.00 0.00 0.00 48 Y H H 102.50 5.01 16.20 22.32 92.25 49.33 -65.83 -40.51 2.87 0.00 97.12 0.15 0.16 2.41 95.49 1.78 0.00 0.00 0.00 49 L H H 49.89 9.94 12.18 23.65 92.62 51.26 -66.60 -36.42 8.51 0.02 91.47 0.60 0.59 7.03 87.61 4.14 0.01 0.01 0.01 50 N H H 96.19 3.85 13.58 18.72 92.68 54.77 -69.52 -27.90 23.87 0.06 76.07 1.61 1.69 20.25 71.31 5.03 0.04 0.03 0.04 51 M H H 132.48 1.61 13.65 15.24 95.81 53.19 -78.16 -21.10 41.15 0.23 58.62 4.16 5.53 31.32 53.86 4.79 0.08 0.09 0.17 52 L C T 92.76 4.84 10.84 17.31 103.43 52.04 -92.79 7.18 70.78 1.16 28.06 20.54 24.19 26.44 23.91 3.67 0.03 0.38 0.83 53 N C C 120.70 2.33 13.72 16.92 98.56 -115.61 44.16 40.43 92.18 0.72 7.10 52.71 13.50 26.20 4.60 2.23 0.00 0.33 0.43 54 Y C C 117.87 6.85 11.92 20.10 102.84 121.34 -88.37 20.45 74.67 0.93 24.40 49.68 10.56 14.17 19.74 4.86 0.00 0.39 0.60 55 E H H 101.71 6.86 13.52 21.69 95.71 123.65 -66.62 -30.23 33.67 0.31 66.02 14.76 5.61 14.56 58.73 6.00 0.02 0.14 0.17 56 S H H 61.06 4.60 15.72 21.13 93.50 59.41 -66.30 -35.53 17.07 0.10 82.83 4.88 2.44 9.76 77.17 5.63 0.02 0.05 0.06 57 Y H H 105.37 5.90 16.68 23.42 93.01 53.10 -66.26 -39.97 6.56 0.04 93.40 1.86 0.83 3.73 89.27 4.26 0.01 0.02 0.02 58 F H H 70.17 10.02 15.85 26.90 92.39 51.50 -64.45 -41.08 2.37 0.01 97.61 0.65 0.28 1.35 95.97 1.75 0.00 0.00 0.00 59 S H H 41.21 7.69 17.20 26.04 92.07 52.11 -63.88 -40.86 1.29 0.00 98.71 0.28 0.11 0.80 97.87 0.94 0.00 0.00 0.00 60 M H H 93.07 4.56 19.96 24.54 92.14 50.86 -65.07 -40.94 0.90 0.00 99.10 0.13 0.06 0.65 98.59 0.57 0.00 0.00 0.00 61 M H H 68.02 9.47 18.48 28.52 92.19 50.74 -65.00 -41.86 0.65 0.00 99.35 0.07 0.04 0.49 99.09 0.31 0.00 0.00 0.00 62 F H H 70.24 11.87 18.06 30.30 92.19 50.26 -64.16 -41.63 0.38 0.00 99.62 0.04 0.02 0.27 99.50 0.17 0.00 0.00 0.00 63 L H H 80.88 6.17 20.97 27.23 91.89 50.41 -64.20 -41.51 0.42 0.00 99.58 0.04 0.02 0.30 99.48 0.16 0.00 0.00 0.00 64 T H H 59.95 5.58 21.18 26.93 92.13 49.83 -64.68 -42.22 0.52 0.00 99.48 0.05 0.02 0.37 99.40 0.15 0.00 0.00 0.00 65 F H H 64.19 11.84 19.75 31.88 92.18 49.20 -64.80 -41.96 0.42 0.00 99.58 0.05 0.03 0.27 99.54 0.11 0.00 0.00 0.00 66 S H H 33.34 11.37 19.16 31.03 91.83 51.10 -63.91 -41.73 0.67 0.00 99.33 0.09 0.04 0.43 99.31 0.13 0.00 0.00 0.00 67 V H H 79.21 4.14 23.35 26.94 92.08 49.09 -64.72 -42.15 0.73 0.00 99.27 0.08 0.04 0.50 99.22 0.15 0.00 0.00 0.00 68 C H H 49.42 7.42 21.44 29.20 92.02 48.78 -64.63 -42.39 0.63 0.00 99.37 0.09 0.04 0.39 99.36 0.13 0.00 0.00 0.00 69 E H H 56.02 12.59 19.81 32.60 91.99 49.57 -64.03 -41.56 0.67 0.00 99.33 0.07 0.04 0.46 99.30 0.13 0.00 0.00 0.00 70 G H H 27.34 8.70 20.52 29.61 91.99 50.96 -63.53 -41.74 0.95 0.00 99.05 0.08 0.05 0.68 99.01 0.17 0.00 0.00 0.00 71 A H H 54.02 4.57 22.45 26.86 91.93 50.03 -64.81 -41.69 1.04 0.00 98.96 0.09 0.05 0.77 98.89 0.20 0.00 0.00 0.00 72 L H H 66.77 8.62 21.12 29.72 92.02 49.47 -65.45 -41.45 1.34 0.00 98.66 0.11 0.07 1.00 98.57 0.25 0.00 0.00 0.00 73 G H H 19.36 11.21 18.47 30.61 92.02 51.53 -63.13 -42.14 1.40 0.00 98.59 0.13 0.07 0.99 98.62 0.19 0.00 0.00 0.00 74 L H H 81.68 5.91 21.35 27.26 91.95 50.32 -64.56 -41.42 0.59 0.00 99.41 0.06 0.03 0.37 99.40 0.13 0.00 0.00 0.00 75 S H H 49.01 5.62 20.37 26.37 91.97 50.77 -64.38 -41.86 0.30 0.00 99.70 0.03 0.01 0.18 99.69 0.09 0.00 0.00 0.00 76 I H H 63.33 9.53 19.03 29.03 92.05 49.53 -64.66 -41.90 0.22 0.00 99.78 0.02 0.01 0.13 99.76 0.08 0.00 0.00 0.00 77 L H H 65.90 8.68 18.88 28.17 91.65 50.30 -63.77 -42.16 0.23 0.00 99.77 0.02 0.01 0.14 99.74 0.09 0.00 0.00 0.00 78 V H H 72.41 4.34 19.60 24.22 91.74 49.92 -64.23 -41.82 0.47 0.00 99.53 0.04 0.02 0.30 99.50 0.14 0.00 0.00 0.00 79 S H H 41.99 6.31 17.33 24.52 91.73 50.77 -64.46 -41.36 1.33 0.00 98.67 0.11 0.07 0.96 98.53 0.32 0.00 0.00 0.00 80 M H H 64.62 8.40 15.53 25.25 91.93 50.61 -64.56 -40.80 2.47 0.01 97.52 0.23 0.18 1.86 97.02 0.69 0.00 0.00 0.00 81 I H H 78.90 5.98 14.85 21.79 92.31 49.97 -65.76 -40.04 3.50 0.05 96.44 0.68 0.44 2.31 95.23 1.28 0.01 0.03 0.02 82 R H H 149.01 2.45 15.07 18.08 92.93 49.51 -68.07 -37.55 6.47 0.06 93.47 1.12 0.71 4.58 91.58 1.93 0.02 0.03 0.02 83 T H H 82.63 4.08 13.79 18.47 97.83 40.33 -82.74 -32.88 13.29 0.08 86.64 1.55 1.52 10.15 85.01 1.67 0.03 0.03 0.04 84 H H H 115.93 4.25 12.35 17.68 102.36 32.56 -102.50 -5.50 35.58 0.42 64.01 6.63 8.36 21.75 61.03 1.74 0.07 0.14 0.29 85 G C C 40.18 4.69 12.27 18.49 116.14 -141.20 82.23 172.76 88.83 0.89 10.28 50.15 13.08 26.05 5.64 4.10 0.00 0.39 0.58 86 N C C 99.45 4.95 11.09 17.48 104.81 -57.85 -91.73 51.34 82.13 1.29 16.57 53.66 14.15 14.05 7.38 9.26 0.00 0.56 0.93 87 D C C 96.94 3.96 11.03 16.59 99.49 114.21 -82.03 -5.49 70.53 0.96 28.51 36.65 14.60 19.15 9.81 18.71 0.00 0.43 0.64 88 Y C C 148.42 3.59 10.41 15.55 99.26 76.71 -82.91 -3.85 63.16 1.11 35.72 26.21 13.61 23.88 11.43 23.64 0.01 0.50 0.71 89 F C C 127.79 4.96 8.61 15.16 101.58 78.44 -86.32 1.87 61.86 1.96 36.18 30.82 12.39 19.37 10.73 24.68 0.01 0.96 1.04 90 Q C C 135.54 2.08 8.96 12.57 103.76 94.81 -86.06 10.83 72.25 2.11 25.64 42.13 13.42 16.77 8.16 17.42 0.00 1.11 0.99 91 S C C 85.02 2.07 8.05 11.82 112.22 104.78 -94.50 128.07 85.87 1.25 12.88 71.54 3.51 12.21 4.25 7.13 0.00 0.70 0.65 92 F C C 154.67 2.99 9.53 14.35 108.05 -144.63 -89.69 89.37 99.95 0.03 0.02 99.89 0.05 0.04 0.00 0.00 0.00 0.01 0.01