# 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 R C C 136.49 4.94 13.10 19.33 109.96 -136.43 -80.32 126.73 99.90 0.02 0.08 99.80 0.08 0.06 0.05 0.00 0.00 0.01 0.00 1 S C H 63.69 4.27 10.85 16.58 102.19 -116.92 -72.55 -32.19 50.80 0.35 48.85 45.48 0.98 4.58 47.11 1.56 0.00 0.13 0.17 2 K H H 138.02 2.29 11.24 14.60 94.74 56.53 -65.54 -36.69 21.47 0.25 78.27 12.76 3.42 6.10 74.66 2.83 0.00 0.12 0.10 3 V H H 91.01 2.38 12.44 15.63 93.00 52.30 -66.42 -39.40 13.05 0.24 86.72 7.51 2.15 4.06 82.83 3.25 0.00 0.13 0.07 4 R H H 125.96 3.78 13.47 18.51 92.83 51.29 -66.11 -39.38 9.70 0.23 90.06 5.67 1.61 3.09 86.60 2.82 0.00 0.14 0.07 5 K H H 104.28 5.61 14.42 21.34 92.73 51.30 -65.83 -40.15 8.28 0.18 91.54 4.33 1.40 3.04 89.19 1.88 0.01 0.10 0.06 6 E H H 106.43 3.42 16.75 20.72 92.68 50.36 -66.01 -40.00 9.31 0.13 90.56 4.08 1.44 3.87 89.10 1.38 0.01 0.06 0.05 7 S H H 55.67 3.56 17.74 21.58 92.91 50.46 -66.21 -41.49 12.17 0.11 87.71 5.03 1.60 5.27 86.85 1.15 0.00 0.05 0.05 8 Y H H 85.31 8.83 17.53 27.22 92.86 49.34 -65.51 -41.14 5.90 0.04 94.06 2.11 0.77 2.79 93.52 0.76 0.00 0.01 0.02 9 A H H 31.78 10.51 16.62 28.42 91.83 51.59 -63.90 -41.29 3.61 0.02 96.38 0.89 0.35 2.12 96.12 0.50 0.00 0.00 0.00 10 S H H 53.24 3.73 20.00 23.78 91.83 50.87 -64.42 -41.57 2.57 0.01 97.42 0.40 0.20 1.83 97.25 0.32 0.00 0.00 0.00 11 Y H H 105.20 4.74 20.34 25.32 92.09 49.83 -64.42 -42.58 0.68 0.00 99.32 0.11 0.05 0.42 99.31 0.11 0.00 0.00 0.00 12 I H H 35.74 13.60 17.44 31.71 91.84 49.48 -64.16 -42.92 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 13 Y H H 79.99 10.95 18.04 29.62 91.93 50.67 -63.69 -41.51 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 14 K H H 113.45 2.40 21.60 22.96 91.82 50.28 -64.56 -41.64 0.18 0.00 99.82 0.01 0.01 0.12 99.82 0.03 0.00 0.00 0.00 15 V H H 49.86 6.49 18.55 26.35 91.92 48.96 -64.53 -42.39 0.31 0.00 99.69 0.02 0.01 0.23 99.70 0.04 0.00 0.00 0.00 16 L H H 22.92 14.73 13.53 29.32 91.88 50.43 -64.25 -40.60 0.42 0.00 99.58 0.04 0.02 0.30 99.53 0.12 0.00 0.00 0.00 17 K H H 109.31 6.16 15.52 22.91 91.93 52.43 -64.64 -37.41 1.78 0.00 98.22 0.10 0.08 1.50 97.91 0.40 0.00 0.00 0.00 18 Q H H 131.35 1.26 16.99 17.14 93.21 49.47 -69.39 -36.63 4.83 0.00 95.17 0.15 0.22 4.37 94.83 0.41 0.00 0.00 0.00 19 T H H 74.79 5.09 14.30 20.48 98.47 37.14 -86.21 -32.17 9.39 0.03 90.59 0.46 1.27 7.47 90.49 0.27 0.02 0.00 0.02 20 H C C 68.29 9.04 9.91 20.50 111.84 23.51 -133.56 70.09 99.14 0.22 0.65 60.87 37.17 1.02 0.54 0.11 0.00 0.05 0.23 21 P C T 92.04 4.33 11.13 17.83 95.41 166.84 -63.08 -26.85 89.85 0.24 9.91 19.38 7.72 62.86 2.27 7.51 0.00 0.12 0.16 22 D C T 128.69 0.70 14.13 13.51 95.92 53.09 -83.85 8.31 86.37 0.22 13.41 9.21 11.39 65.61 3.92 9.58 0.00 0.11 0.18 23 T C S 60.71 8.39 10.78 20.51 99.58 87.74 -91.10 -2.10 85.12 0.53 14.35 28.75 37.43 19.64 6.27 7.18 0.00 0.18 0.55 24 G C C 42.74 3.82 16.22 20.94 99.35 -120.07 76.96 1.67 81.07 0.81 18.13 36.14 29.48 14.99 15.96 2.60 0.00 0.25 0.58 25 I H H 60.91 9.98 13.63 24.85 95.82 113.28 -75.73 -26.32 40.06 0.64 59.30 28.59 6.52 5.27 57.43 1.65 0.00 0.20 0.33 26 S H H 46.05 9.89 14.53 25.38 93.81 69.87 -63.51 -42.14 11.09 0.11 88.80 6.87 1.56 2.88 87.39 1.21 0.00 0.05 0.04 27 Q H H 123.48 1.89 18.69 20.13 92.68 48.50 -66.34 -40.31 2.27 0.01 97.71 0.80 0.32 1.05 97.11 0.71 0.00 0.01 0.00 28 K H H 120.77 2.52 19.35 21.54 92.21 48.77 -66.25 -40.86 1.21 0.01 98.78 0.36 0.13 0.61 98.41 0.48 0.00 0.00 0.00 29 A H H 20.21 12.81 14.76 28.90 92.19 50.44 -64.80 -42.22 0.81 0.00 99.19 0.21 0.07 0.42 99.05 0.26 0.00 0.00 0.00 30 M H H 67.89 9.73 17.05 27.72 91.91 51.02 -63.66 -40.98 0.40 0.00 99.60 0.11 0.03 0.19 99.57 0.11 0.00 0.00 0.00 31 S H H 62.97 2.26 20.44 21.64 91.88 50.91 -64.63 -41.37 0.43 0.00 99.57 0.08 0.02 0.24 99.56 0.10 0.00 0.00 0.00 32 I H H 80.74 4.74 19.52 24.75 92.12 49.07 -65.02 -42.13 0.39 0.00 99.61 0.06 0.02 0.24 99.60 0.09 0.00 0.00 0.00 33 M H H 49.14 13.04 16.26 29.86 91.91 50.05 -64.45 -41.87 0.42 0.00 99.58 0.07 0.02 0.24 99.58 0.09 0.00 0.00 0.00 34 N H H 76.25 6.18 18.64 25.63 91.82 51.10 -63.66 -40.46 0.75 0.00 99.25 0.11 0.04 0.47 99.24 0.14 0.00 0.00 0.00 35 S H H 61.30 2.25 20.15 21.35 91.94 50.51 -64.75 -41.21 1.22 0.00 98.78 0.12 0.06 0.87 98.74 0.20 0.00 0.00 0.00 36 F H H 83.90 7.20 18.53 26.67 92.12 49.37 -65.00 -42.04 1.24 0.00 98.76 0.16 0.08 0.85 98.69 0.22 0.00 0.00 0.00 37 V H H 40.22 12.20 16.36 29.38 91.96 50.05 -64.36 -41.97 0.86 0.00 99.14 0.17 0.07 0.50 99.14 0.12 0.00 0.00 0.00 38 N H H 82.85 3.60 19.50 23.28 91.68 50.79 -64.07 -40.82 0.87 0.00 99.13 0.16 0.06 0.52 99.14 0.12 0.00 0.00 0.00 39 D H H 77.42 2.67 20.10 22.11 92.08 50.05 -65.22 -41.09 0.96 0.00 99.04 0.15 0.06 0.62 99.05 0.12 0.00 0.00 0.00 40 I H H 47.87 10.45 17.41 28.96 92.02 49.95 -64.72 -42.71 0.49 0.00 99.50 0.07 0.03 0.31 99.52 0.08 0.00 0.00 0.00 41 F H H 76.69 10.75 17.22 28.59 91.81 50.51 -63.68 -41.52 0.22 0.00 99.78 0.03 0.01 0.12 99.78 0.05 0.00 0.00 0.00 42 E H H 114.87 2.29 20.56 22.17 91.78 50.35 -64.54 -41.12 0.19 0.00 99.81 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 43 R H H 121.44 3.75 20.28 24.04 91.90 49.30 -65.35 -41.23 0.31 0.00 99.69 0.03 0.01 0.21 99.69 0.06 0.00 0.00 0.00 44 I H H 36.83 13.87 16.79 31.29 92.15 48.82 -64.77 -42.15 0.39 0.00 99.61 0.05 0.02 0.24 99.62 0.07 0.00 0.00 0.00 45 A H H 44.64 7.43 18.59 27.09 91.64 50.87 -63.19 -41.47 0.64 0.00 99.36 0.10 0.04 0.37 99.37 0.13 0.00 0.00 0.00 46 S H H 61.23 2.10 21.98 22.48 91.96 49.88 -64.78 -41.78 1.48 0.00 98.52 0.20 0.09 0.96 98.51 0.24 0.00 0.00 0.00 47 E H H 76.60 7.25 19.92 27.92 92.01 49.01 -65.71 -40.65 1.66 0.00 98.33 0.24 0.12 1.05 98.24 0.33 0.00 0.00 0.00 48 A H H 21.84 14.81 15.32 30.78 91.77 52.09 -63.71 -40.71 2.04 0.01 97.95 0.39 0.16 1.20 97.58 0.67 0.00 0.00 0.00 49 S H H 61.13 3.70 20.05 23.88 91.84 51.72 -64.29 -39.40 4.28 0.02 95.70 0.67 0.33 2.96 94.37 1.66 0.01 0.01 0.01 50 K H H 122.18 2.28 20.36 21.88 92.34 50.15 -66.03 -39.38 7.76 0.04 92.20 1.01 0.67 5.86 90.06 2.35 0.02 0.02 0.02 51 L H H 47.64 10.48 15.02 26.85 93.14 50.48 -67.52 -37.26 10.18 0.13 89.69 2.21 1.35 6.61 85.96 3.71 0.03 0.07 0.05 52 A H H 43.05 9.05 13.51 23.94 93.35 57.49 -66.83 -32.51 20.64 0.36 78.99 5.16 2.58 12.96 72.21 6.68 0.06 0.20 0.16 53 S H H 77.41 2.13 15.37 17.63 95.75 55.70 -74.03 -20.84 36.14 0.50 63.36 6.97 4.03 25.09 56.45 6.87 0.08 0.26 0.26 54 Y H H 145.40 3.64 12.53 17.42 100.96 59.02 -84.70 -11.33 45.79 1.13 53.08 12.38 10.05 25.14 44.81 6.32 0.15 0.51 0.63 55 N C H 84.01 6.73 10.25 18.39 108.49 50.52 -102.61 85.00 64.86 1.39 33.75 28.07 12.56 24.87 28.61 4.52 0.03 0.58 0.78 56 K C T 160.86 1.95 12.00 15.20 98.32 -147.02 -65.29 -5.66 74.79 0.89 24.32 22.09 17.72 35.53 17.50 6.18 0.02 0.36 0.60 57 K C T 138.40 3.08 11.93 16.42 108.70 78.83 -90.60 99.92 79.45 1.08 19.47 28.52 20.18 31.53 11.65 6.93 0.01 0.45 0.72 58 S C C 71.57 5.95 11.37 18.84 109.01 -148.77 -90.22 84.94 85.55 2.37 12.08 39.98 26.44 19.74 5.61 5.96 0.01 1.18 1.08 59 T C C 92.08 4.19 15.03 20.49 115.32 63.70 -102.03 124.95 82.96 9.59 7.45 52.30 20.10 11.00 3.93 3.57 0.01 6.54 2.55 60 I C C 40.23 16.39 10.09 26.24 119.64 -150.02 -105.21 132.50 85.83 12.06 2.12 69.34 15.29 1.06 1.88 0.58 0.00 7.20 4.65 61 S C C 52.62 3.48 20.57 23.65 121.25 -135.43 -82.54 162.43 91.64 6.78 1.58 90.26 1.56 0.41 1.41 0.22 0.00 4.43 1.71 62 A H H 54.30 11.95 13.00 25.45 91.57 -106.67 -58.50 -38.49 2.35 0.01 97.64 0.59 0.37 1.18 97.38 0.48 0.00 0.00 0.00 63 R H H 157.04 1.93 18.66 20.48 91.62 53.55 -63.43 -39.82 0.94 0.00 99.06 0.15 0.09 0.58 98.74 0.44 0.00 0.00 0.00 64 E H H 79.86 7.86 18.59 27.27 91.84 49.16 -65.98 -40.43 0.42 0.00 99.58 0.09 0.03 0.23 99.17 0.48 0.00 0.00 0.00 65 I H H 16.73 20.18 15.56 35.67 91.86 50.04 -63.99 -43.17 0.20 0.00 99.80 0.04 0.01 0.10 99.73 0.12 0.00 0.00 0.00 66 Q H H 68.92 11.21 20.41 31.72 91.28 50.68 -62.71 -41.53 0.25 0.00 99.75 0.03 0.01 0.15 99.72 0.08 0.00 0.00 0.00 67 T H H 62.32 3.80 23.36 26.83 91.76 49.66 -64.61 -41.77 0.48 0.00 99.52 0.05 0.02 0.34 99.45 0.14 0.00 0.00 0.00 68 A H H 16.47 14.01 19.51 34.41 91.81 51.01 -63.94 -41.99 0.77 0.00 99.22 0.07 0.04 0.56 98.93 0.40 0.00 0.00 0.00 69 V H H 14.85 20.57 17.80 38.06 91.80 50.45 -64.05 -41.06 1.18 0.00 98.82 0.09 0.07 0.92 97.45 1.46 0.00 0.00 0.00 70 R H H 116.70 8.72 20.40 29.51 91.25 53.21 -64.52 -34.74 3.66 0.01 96.33 0.21 0.18 3.16 93.53 2.89 0.01 0.00 0.00 71 L H H 89.74 6.02 20.95 27.23 92.71 52.75 -70.18 -32.09 12.77 0.02 87.20 0.40 0.54 12.00 84.72 2.29 0.02 0.01 0.01 72 I H H 48.28 14.77 17.48 32.02 97.83 41.76 -87.47 -28.70 22.59 0.10 77.31 1.21 2.77 18.77 75.86 1.22 0.07 0.03 0.07 73 L C S 34.81 17.29 12.69 29.64 111.85 55.80 -109.33 99.55 96.17 0.44 3.39 27.53 65.70 2.57 3.34 0.38 0.00 0.11 0.37 74 P C C 80.31 5.05 16.14 22.40 111.59 -139.23 -66.49 141.54 79.40 0.52 20.08 41.13 10.93 27.29 14.07 5.97 0.00 0.23 0.38 75 G C H 46.51 3.30 16.81 20.52 111.71 14.89 75.14 -135.65 55.84 0.58 43.58 11.36 14.62 30.32 32.30 10.64 0.08 0.23 0.45 76 E H H 118.28 4.10 16.92 21.67 94.93 0.49 -68.29 -34.85 29.17 0.57 70.25 10.23 6.26 13.12 56.55 13.21 0.07 0.29 0.27 77 L H H 50.14 12.86 13.75 27.20 92.55 55.87 -65.35 -38.57 18.24 0.66 81.10 8.07 3.21 7.34 66.73 13.99 0.04 0.43 0.20 78 S H H 34.82 12.30 14.15 27.18 92.31 54.99 -65.77 -36.61 13.96 0.60 85.43 6.99 2.20 5.03 70.33 14.85 0.02 0.43 0.15 79 K H H 132.65 2.90 19.58 22.72 93.11 53.08 -69.14 -33.17 16.12 0.70 83.18 5.69 2.70 7.84 68.84 14.19 0.06 0.50 0.19 80 H H H 88.36 7.40 17.30 25.51 98.44 50.56 -81.58 -23.99 22.45 1.40 76.15 8.79 4.14 10.50 63.41 11.67 0.11 0.95 0.42 81 A H H 29.97 14.52 13.72 28.39 97.79 76.15 -67.16 -38.55 29.00 3.96 67.04 17.25 5.88 8.39 58.23 6.51 0.10 2.61 1.02 82 V H H 75.69 8.53 16.50 25.54 96.33 51.48 -70.88 -34.97 32.75 5.09 62.16 18.96 6.15 9.77 53.73 6.45 0.13 3.60 1.20 83 S H H 66.03 4.12 16.85 21.51 98.69 56.30 -77.43 -34.17 41.60 3.46 54.94 20.13 8.58 14.61 46.74 6.58 0.14 2.16 1.06 84 E C T 112.82 5.66 16.05 22.55 97.57 37.87 -75.06 -15.10 58.89 0.96 40.15 11.45 11.59 35.10 34.75 6.08 0.08 0.45 0.50 85 G C T 32.03 9.98 14.87 25.34 100.12 44.15 -44.13 -31.93 68.16 0.81 31.04 19.67 13.22 35.21 25.55 5.56 0.02 0.37 0.41 86 T C H 61.06 9.89 14.93 25.49 97.38 59.79 -73.85 -30.04 50.46 2.47 47.08 34.54 8.41 8.04 40.89 5.95 0.01 1.44 0.72 87 R H H 132.37 4.71 18.16 23.58 95.94 62.33 -68.63 -35.04 36.62 5.31 58.07 24.80 6.58 7.27 49.59 6.78 0.05 3.87 1.06 88 A H H 42.72 9.05 15.40 25.62 95.41 58.55 -68.50 -36.13 29.08 6.49 64.43 20.66 4.78 5.63 55.24 7.25 0.04 5.48 0.91 89 V H H 57.77 11.54 14.63 26.60 95.67 54.61 -71.34 -34.70 25.14 7.28 67.58 18.22 4.15 4.85 58.60 6.76 0.04 6.49 0.89 90 T H H 72.47 6.56 15.77 23.35 96.29 58.37 -73.82 -29.49 28.43 6.39 65.18 20.21 4.40 5.67 57.06 6.24 0.04 5.51 0.88 91 K H H 129.18 3.59 16.07 20.53 98.62 56.42 -75.28 -23.42 34.61 4.73 60.66 22.00 6.05 8.41 53.33 5.71 0.06 3.57 0.87 92 Y H H 113.82 8.72 11.96 21.57 103.63 58.78 -84.94 11.22 41.85 3.55 54.59 25.89 7.81 9.85 48.80 4.49 0.05 2.22 0.90 93 T C H 76.76 6.76 11.67 19.76 107.76 64.26 -91.41 73.58 53.35 2.54 44.11 34.43 8.45 10.21 41.38 3.33 0.02 1.40 0.78 94 S C C 77.51 3.56 11.47 16.44 103.16 71.85 -86.89 16.13 60.93 1.65 37.41 34.58 11.48 14.44 33.75 4.27 0.02 0.83 0.63 95 S C C 77.61 3.57 9.79 15.11 106.87 64.64 -87.01 73.82 64.39 1.55 34.06 32.13 14.97 17.48 28.26 5.72 0.02 0.75 0.66 96 T C C 98.68 3.16 8.84 13.82 108.65 76.07 -89.64 93.51 68.64 2.57 28.79 38.52 14.41 15.76 23.03 5.90 0.02 1.38 0.99 97 Q C C 136.05 2.26 8.92 12.91 109.56 91.40 -89.96 110.44 79.49 2.11 18.40 64.95 2.28 12.55 15.12 2.97 0.00 1.19 0.94 98 A C C 76.83 4.70 10.31 16.69 109.65 -150.32 -85.78 114.51 99.92 0.05 0.04 99.82 0.07 0.06 0.02 0.00 0.00 0.02 0.01