# 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 L C C 45.38 17.27 11.54 28.01 116.48 -140.99 -87.98 137.62 99.96 0.02 0.01 99.83 0.12 0.03 0.01 0.00 0.00 0.01 0.01 1 S C C 59.13 3.62 16.16 20.34 118.55 -124.37 -77.94 158.73 97.09 0.21 2.71 96.09 0.54 0.57 2.53 0.09 0.00 0.05 0.13 2 T H H 95.24 4.44 12.21 18.43 93.74 -109.57 -62.11 -36.92 5.92 0.02 94.06 2.05 1.32 2.17 94.09 0.35 0.00 0.00 0.01 3 E H H 134.30 1.32 16.43 16.91 92.70 52.13 -65.51 -39.54 2.34 0.01 97.65 0.53 0.31 1.22 97.62 0.31 0.00 0.00 0.00 4 A H H 33.39 8.39 14.91 25.15 92.15 49.18 -65.09 -40.97 1.01 0.00 98.98 0.29 0.11 0.49 98.82 0.28 0.00 0.00 0.00 5 T H H 28.07 16.22 14.47 30.73 91.75 51.08 -63.57 -42.10 0.53 0.00 99.47 0.13 0.05 0.24 99.46 0.11 0.00 0.00 0.00 6 A H H 48.08 5.75 19.42 26.01 91.72 51.47 -63.69 -40.79 0.40 0.00 99.60 0.06 0.02 0.20 99.66 0.06 0.00 0.00 0.00 7 K H H 116.23 2.41 22.94 24.25 91.97 50.09 -64.63 -41.38 0.46 0.00 99.54 0.07 0.03 0.25 99.59 0.07 0.00 0.00 0.00 8 I H H 15.73 16.78 17.33 34.80 92.07 49.80 -64.06 -43.66 0.54 0.00 99.46 0.08 0.04 0.30 99.49 0.09 0.00 0.00 0.00 9 V H H 24.71 17.73 16.14 33.75 91.69 49.32 -63.91 -40.93 0.52 0.00 99.48 0.07 0.04 0.32 99.38 0.19 0.00 0.00 0.00 10 S H H 73.50 2.77 20.29 22.98 92.18 52.06 -65.46 -37.67 1.86 0.00 98.14 0.14 0.09 1.50 96.98 1.29 0.00 0.00 0.00 11 E H H 119.64 3.56 20.31 24.13 93.50 49.02 -70.77 -34.34 5.57 0.00 94.43 0.20 0.26 5.12 93.23 1.18 0.00 0.00 0.00 12 F H H 52.46 16.13 15.00 30.77 101.16 31.33 -104.67 -8.76 17.00 0.05 82.95 1.20 2.32 13.42 81.95 1.04 0.02 0.01 0.04 13 G C C 22.12 13.35 14.73 28.30 117.70 99.86 -75.80 148.95 96.62 0.39 2.99 54.59 12.27 30.13 1.61 0.96 0.00 0.14 0.29 14 R C C 137.24 8.21 15.23 24.30 103.38 -148.48 -94.97 -9.12 96.05 1.83 2.12 62.99 28.62 4.01 0.83 1.12 0.00 0.53 1.90 15 D C C 77.94 3.06 18.69 21.55 133.39 -0.21 -143.07 167.90 96.30 2.76 0.94 71.52 21.76 1.85 0.28 0.65 0.00 0.64 3.31 16 A C T 82.79 5.35 12.64 19.72 91.90 -93.23 -62.55 -25.23 99.07 0.13 0.80 0.64 5.92 92.58 0.05 0.69 0.00 0.07 0.05 17 N C T 128.55 1.29 15.88 16.73 95.42 52.55 -91.45 3.93 99.42 0.11 0.47 1.42 5.04 92.92 0.03 0.48 0.00 0.07 0.03 18 D C C 39.77 14.59 10.10 25.02 107.78 115.92 -80.57 110.27 97.74 2.03 0.23 88.51 8.32 0.49 0.06 0.15 0.00 0.57 1.89 19 T C C 86.28 6.13 17.82 24.96 98.82 163.85 -96.69 -3.01 98.84 0.73 0.43 54.16 9.27 35.44 0.10 0.28 0.00 0.34 0.41 20 G C T 34.70 11.12 17.65 28.69 96.74 61.85 -81.41 1.70 98.88 0.69 0.43 24.01 35.34 39.63 0.10 0.31 0.00 0.32 0.30 21 S C C 36.37 9.15 19.44 29.83 117.62 125.51 -77.26 145.00 98.97 0.56 0.47 85.60 12.93 0.22 0.43 0.07 0.00 0.10 0.65 22 T H H 46.97 15.74 18.05 33.58 92.48 -128.37 -61.13 -36.63 1.47 0.00 98.52 0.19 0.25 0.82 98.61 0.12 0.00 0.00 0.00 23 E H H 88.53 10.88 22.42 33.12 91.74 55.53 -63.47 -40.71 0.47 0.00 99.53 0.04 0.03 0.31 99.52 0.10 0.00 0.00 0.00 24 V H H 24.89 14.63 21.59 36.49 92.14 48.74 -65.65 -42.36 0.08 0.00 99.92 0.01 0.01 0.05 99.89 0.05 0.00 0.00 0.00 25 Q H H 39.66 16.84 23.41 39.27 91.81 50.52 -63.92 -42.93 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 26 V H H 17.44 18.85 23.21 41.48 91.44 49.89 -63.42 -43.20 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 27 A H H 27.06 11.91 25.29 37.68 91.72 50.37 -64.18 -42.02 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 28 L H H 42.83 13.39 25.40 38.69 91.73 49.62 -64.20 -42.63 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 29 L H H 17.51 19.99 23.10 42.36 91.77 49.66 -64.36 -42.65 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 30 T H H 33.43 14.40 23.48 37.56 91.95 50.62 -64.03 -41.78 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 31 A H H 33.54 7.74 24.05 32.66 91.56 50.65 -63.90 -42.06 0.11 0.00 99.89 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 32 Q H H 54.53 12.32 23.05 35.24 92.05 49.83 -64.56 -41.64 0.21 0.00 99.79 0.02 0.01 0.12 99.83 0.02 0.00 0.00 0.00 33 I H H 16.18 19.63 18.46 37.97 91.89 50.45 -63.77 -42.29 0.22 0.00 99.78 0.01 0.01 0.15 99.78 0.04 0.00 0.00 0.00 34 N H H 82.70 5.68 23.13 29.11 91.64 51.18 -64.08 -40.32 0.68 0.00 99.32 0.03 0.02 0.53 99.28 0.13 0.00 0.00 0.00 35 H H H 101.53 4.21 22.73 26.81 91.99 49.61 -65.66 -40.71 3.01 0.00 96.99 0.09 0.08 2.67 96.85 0.31 0.00 0.00 0.00 36 L H H 20.06 17.61 16.68 34.43 92.20 50.32 -65.75 -40.28 2.88 0.00 97.12 0.18 0.16 2.25 96.98 0.43 0.00 0.00 0.00 37 Q H H 70.89 11.44 18.25 29.91 91.77 54.27 -62.59 -41.30 1.31 0.00 98.69 0.14 0.10 0.89 98.41 0.47 0.00 0.00 0.00 38 G H H 37.15 2.07 20.94 21.64 91.67 50.87 -63.79 -41.44 2.12 0.00 97.88 0.20 0.13 1.60 97.23 0.84 0.00 0.00 0.00 39 H H H 59.66 7.92 16.89 26.39 92.29 49.74 -65.66 -40.39 1.94 0.00 98.05 0.20 0.16 1.46 96.97 1.21 0.00 0.00 0.00 40 F H H 40.75 15.09 11.77 27.24 92.02 51.71 -65.39 -38.62 2.00 0.00 97.99 0.23 0.19 1.45 96.52 1.60 0.00 0.00 0.00 41 A H H 76.67 2.14 15.72 18.15 91.81 52.41 -66.69 -33.72 7.07 0.00 92.92 0.37 0.42 6.11 91.52 1.56 0.01 0.00 0.00 42 E H H 140.23 1.20 15.45 15.71 94.53 46.71 -76.97 -29.10 17.66 0.01 82.33 0.60 1.49 15.41 81.33 1.14 0.02 0.00 0.01 43 H C C 82.15 8.09 9.92 19.42 109.01 33.70 -121.07 72.84 78.66 0.27 21.07 35.86 14.59 27.54 19.75 1.91 0.00 0.07 0.29 44 K C T 142.82 3.58 12.20 17.83 99.01 -153.55 -65.32 -23.64 95.89 0.18 3.93 14.83 9.24 72.06 1.54 2.11 0.00 0.08 0.14 45 K C T 158.05 1.78 14.07 16.13 96.55 46.31 -83.56 18.81 96.52 0.14 3.34 10.11 16.11 70.42 1.05 2.14 0.00 0.06 0.11 46 D C C 53.99 9.28 9.77 20.62 107.45 112.17 -93.69 102.35 95.60 0.24 4.16 87.23 6.40 2.39 2.34 1.31 0.00 0.07 0.26 47 H H H 128.01 3.10 14.10 18.73 94.75 -174.53 -67.77 -32.92 30.79 0.15 69.06 11.53 5.82 14.14 61.84 6.50 0.01 0.05 0.11 48 H H H 122.41 2.35 16.62 18.87 92.65 55.22 -66.41 -38.53 20.69 0.08 79.23 4.00 2.86 13.55 73.21 6.28 0.02 0.03 0.05 49 S H H 27.22 11.24 13.54 26.13 92.30 51.84 -65.93 -39.18 12.02 0.08 87.90 4.38 1.68 5.75 82.13 5.97 0.01 0.04 0.04 50 R H H 104.73 9.25 16.85 26.65 92.00 52.53 -63.93 -40.71 4.93 0.03 95.03 2.06 0.76 2.10 93.13 1.91 0.00 0.02 0.01 51 R H H 133.94 2.06 21.63 22.38 91.82 50.60 -64.40 -41.66 1.45 0.00 98.55 0.36 0.17 0.74 98.29 0.44 0.00 0.00 0.00 52 G H H 20.30 7.57 18.55 27.76 91.74 50.94 -63.63 -42.02 1.04 0.00 98.95 0.22 0.09 0.57 98.80 0.31 0.00 0.00 0.00 53 L H H 28.02 16.65 16.13 32.96 92.13 50.40 -64.04 -41.61 0.46 0.00 99.54 0.08 0.03 0.26 99.45 0.17 0.00 0.00 0.00 54 L H H 86.86 5.06 21.24 26.61 91.56 50.79 -63.88 -41.02 0.26 0.00 99.74 0.04 0.02 0.14 99.72 0.08 0.00 0.00 0.00 55 R H H 136.74 2.31 22.52 23.70 91.73 49.69 -64.69 -41.30 0.30 0.00 99.70 0.03 0.02 0.18 99.70 0.07 0.00 0.00 0.00 56 M H H 33.91 14.39 18.08 33.00 91.90 49.49 -64.75 -42.07 0.33 0.00 99.67 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 57 V H H 33.54 13.83 18.52 32.86 91.61 50.04 -63.78 -42.21 0.24 0.00 99.76 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 58 S H H 54.64 2.56 22.64 24.06 91.35 50.36 -63.47 -41.79 0.35 0.00 99.65 0.04 0.01 0.22 99.67 0.05 0.00 0.00 0.00 59 Q H H 74.09 6.51 21.42 28.51 91.72 49.61 -64.77 -41.46 0.35 0.00 99.65 0.03 0.02 0.23 99.68 0.05 0.00 0.00 0.00 60 R H H 37.18 18.81 16.83 35.13 91.75 51.24 -63.71 -41.51 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 61 R H H 116.64 7.24 21.26 29.12 91.48 51.53 -63.18 -40.90 0.12 0.00 99.88 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 62 K H H 118.35 2.08 24.02 24.57 91.59 49.99 -64.27 -41.84 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 63 L H H 23.99 15.06 19.53 35.13 91.76 49.57 -64.33 -42.36 0.20 0.00 99.80 0.01 0.01 0.14 99.77 0.07 0.00 0.00 0.00 64 L H H 18.50 18.04 17.59 35.85 91.59 51.06 -62.95 -41.72 0.31 0.00 99.69 0.02 0.01 0.21 99.60 0.15 0.00 0.00 0.00 65 D H H 76.44 2.97 23.23 25.31 91.50 50.87 -63.68 -41.13 1.09 0.00 98.91 0.07 0.05 0.85 98.49 0.55 0.00 0.00 0.00 66 Y H H 81.58 5.59 20.29 26.91 91.70 50.08 -64.15 -41.69 2.32 0.00 97.68 0.13 0.13 1.92 96.60 1.22 0.00 0.00 0.00 67 L H H 12.37 18.23 13.66 32.56 91.89 50.19 -65.31 -39.75 5.07 0.01 94.92 0.54 0.45 3.75 92.85 2.40 0.01 0.00 0.00 68 K H H 96.03 9.84 15.37 25.95 91.50 55.09 -64.27 -34.88 20.96 0.04 78.99 1.69 1.22 17.63 76.33 3.06 0.02 0.02 0.03 69 R H H 173.15 1.24 17.29 17.57 92.56 52.98 -71.34 -26.90 37.45 0.07 62.48 2.25 3.04 31.47 60.61 2.53 0.03 0.02 0.05 70 K C H 119.62 4.41 14.64 20.06 101.32 40.83 -91.82 -27.67 59.53 0.28 40.19 6.48 23.26 27.93 40.35 1.65 0.03 0.07 0.24 71 D C C 70.90 6.58 14.53 22.45 113.72 5.75 -135.41 90.87 96.39 0.34 3.27 90.04 2.85 3.30 3.07 0.37 0.00 0.10 0.28 72 V H H 73.30 9.98 11.89 23.16 94.01 -164.53 -63.31 -36.33 2.72 0.01 97.27 0.83 0.33 1.25 97.14 0.45 0.00 0.00 0.00 73 A H H 76.16 1.40 18.95 18.90 91.67 53.73 -63.99 -41.40 1.21 0.00 98.79 0.11 0.08 0.88 98.44 0.49 0.00 0.00 0.00 74 R H H 98.98 6.36 18.20 25.52 91.99 48.52 -65.94 -40.34 0.53 0.00 99.47 0.07 0.03 0.34 99.07 0.49 0.00 0.00 0.00 75 Y H H 16.58 20.50 13.38 33.91 91.74 51.07 -63.15 -43.06 0.19 0.00 99.81 0.03 0.01 0.10 99.75 0.11 0.00 0.00 0.00 76 T H H 59.81 6.63 20.13 27.56 91.38 50.91 -63.23 -41.64 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.04 0.00 0.00 0.00 77 Q H H 94.61 2.14 22.53 23.00 91.67 50.14 -63.93 -42.26 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.04 0.00 0.00 0.00 78 L H H 17.26 15.51 17.36 33.90 91.86 49.67 -64.16 -43.15 0.19 0.00 99.81 0.02 0.01 0.11 99.81 0.05 0.00 0.00 0.00 79 I H H 18.95 18.20 14.96 33.45 91.92 49.98 -63.36 -42.80 0.31 0.00 99.69 0.03 0.02 0.19 99.65 0.11 0.00 0.00 0.00 80 E H H 130.85 1.94 19.07 20.72 91.73 49.39 -64.32 -40.87 0.84 0.00 99.16 0.06 0.04 0.63 98.94 0.34 0.00 0.00 0.00 81 R H H 144.61 3.10 17.73 21.40 91.65 51.01 -65.99 -34.68 4.32 0.00 95.67 0.13 0.15 4.00 95.28 0.43 0.00 0.00 0.00 82 L H H 35.02 16.32 12.45 28.93 93.85 47.80 -86.38 -8.03 42.00 0.03 57.97 0.67 1.65 38.76 57.96 0.91 0.01 0.01 0.03 83 G C T 48.80 2.93 20.07 22.91 96.93 -115.62 75.33 20.46 97.40 0.08 2.52 8.20 3.69 85.67 1.97 0.40 0.00 0.04 0.03 84 L C C 40.68 17.34 8.97 25.34 112.01 143.73 -88.26 123.99 94.24 1.03 4.73 77.93 7.87 8.72 2.40 1.97 0.00 0.52 0.60 85 R C C 150.16 3.79 14.33 19.72 116.60 -160.87 -99.54 138.57 94.68 2.02 3.30 87.75 1.72 5.93 1.51 1.05 0.00 1.00 1.04 86 R C C 154.67 5.43 13.83 21.05 109.80 -115.59 -78.31 127.96 99.96 0.03 0.01 99.91 0.05 0.02 0.00 0.00 0.00 0.01 0.00