# 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 P C C 81.99 4.93 16.83 22.61 116.54 -95.90 -70.14 149.87 99.98 0.02 0.00 99.79 0.16 0.03 0.00 0.00 0.00 0.01 0.00 1 P C C 86.58 6.54 14.78 22.78 113.63 -101.16 -67.67 148.05 97.40 0.64 1.96 89.86 2.18 5.73 0.97 0.55 0.00 0.25 0.47 2 L C C 50.88 16.72 10.48 26.59 112.41 -109.57 -80.04 130.88 93.56 3.15 3.29 74.92 13.22 4.89 2.09 1.17 0.00 1.22 2.48 3 T C C 67.70 3.78 21.03 24.46 124.70 -152.98 -96.81 163.26 92.10 3.15 4.75 83.80 6.50 1.49 4.11 0.82 0.00 1.10 2.17 4 L H H 67.96 15.18 12.85 27.76 91.67 -106.03 -59.02 -38.10 10.96 0.16 88.88 3.83 2.79 5.54 84.70 2.95 0.04 0.07 0.09 5 E H H 129.00 2.46 19.23 22.02 91.75 53.61 -63.70 -39.71 7.81 0.05 92.14 1.38 1.05 5.29 89.26 2.96 0.02 0.02 0.02 6 G H H 20.48 7.41 18.24 27.37 92.06 50.29 -64.20 -40.44 7.27 0.09 92.65 2.35 1.07 4.07 88.84 3.56 0.02 0.05 0.04 7 I H H 9.53 22.15 16.76 38.86 91.97 50.18 -64.54 -42.76 2.31 0.02 97.66 0.93 0.31 1.05 97.12 0.58 0.00 0.01 0.01 8 Q H H 52.93 16.60 21.01 36.51 90.96 51.67 -61.54 -42.60 0.65 0.00 99.34 0.19 0.06 0.30 99.36 0.09 0.00 0.00 0.00 9 D H H 75.22 4.97 25.63 30.81 91.67 49.91 -64.90 -41.18 0.24 0.00 99.76 0.06 0.02 0.11 99.77 0.03 0.00 0.00 0.00 10 R H H 60.78 14.06 24.10 37.56 91.89 49.48 -64.92 -42.18 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 11 V H H 1.89 26.26 22.05 48.26 91.47 49.40 -63.93 -43.77 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 12 L H H 25.10 17.34 23.74 40.53 91.17 50.19 -62.69 -42.57 0.03 0.00 99.97 0.00 0.00 0.01 99.98 0.01 0.00 0.00 0.00 13 Y H H 87.92 7.22 26.63 34.46 91.73 50.00 -63.93 -42.52 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 14 V H H 10.43 18.36 22.70 41.25 91.45 49.04 -63.22 -43.83 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 15 L H H 5.21 22.81 19.39 42.43 91.66 49.11 -63.95 -42.54 0.18 0.00 99.82 0.01 0.01 0.13 99.80 0.05 0.00 0.00 0.00 16 K H H 72.75 10.32 20.23 31.01 91.69 50.91 -64.12 -40.73 0.96 0.00 99.04 0.06 0.04 0.78 98.85 0.26 0.00 0.00 0.00 17 L H H 74.09 7.70 20.09 28.26 92.89 48.59 -67.55 -40.29 3.48 0.00 96.51 0.11 0.13 3.26 96.04 0.46 0.00 0.00 0.00 18 Y H H 71.03 14.27 17.15 31.21 97.77 39.33 -81.01 -35.06 12.34 0.03 87.64 0.42 0.87 10.93 87.23 0.51 0.02 0.01 0.01 19 D C H 46.65 12.70 14.38 27.59 101.71 27.26 -104.03 -0.96 51.08 0.24 48.67 5.56 14.43 29.16 49.53 1.01 0.04 0.06 0.21 20 K C T 164.77 1.58 18.89 20.22 94.56 -126.12 54.97 37.46 99.70 0.05 0.26 40.02 10.17 49.56 0.08 0.12 0.00 0.02 0.03 21 I C C 38.36 14.99 9.83 25.20 122.02 145.98 -100.36 143.04 99.61 0.34 0.06 87.84 11.53 0.13 0.03 0.02 0.00 0.08 0.39 22 D C C 83.64 3.00 21.25 23.67 107.39 -113.43 -80.38 118.62 99.92 0.05 0.03 99.67 0.25 0.03 0.01 0.01 0.00 0.02 0.02 23 P H G 40.12 19.13 9.99 28.38 91.64 -152.15 -61.73 -28.06 14.75 0.08 85.18 1.49 1.18 9.34 0.97 86.97 0.00 0.05 0.00 24 E H G 146.36 1.98 18.26 20.79 90.46 64.77 -69.46 -19.58 14.94 0.05 85.01 0.53 0.95 11.17 0.87 86.45 0.00 0.03 0.01 25 K H G 134.82 2.71 18.73 21.60 95.54 51.65 -92.44 -4.88 14.58 0.15 85.26 1.90 1.77 8.59 1.05 86.58 0.00 0.10 0.01 26 L C C 14.85 23.46 8.41 30.64 115.13 105.67 -80.66 132.57 94.85 2.99 2.15 77.04 16.49 0.85 0.95 1.02 0.00 0.88 2.78 27 S C C 48.85 4.52 24.31 28.64 133.47 167.66 -131.29 164.41 93.45 5.90 0.65 87.00 4.48 0.45 0.32 0.23 0.00 1.46 6.04 28 V C T 60.20 16.62 13.91 30.14 91.12 -101.45 -63.41 -26.11 97.59 0.51 1.90 1.61 6.20 89.98 0.51 1.14 0.00 0.28 0.29 29 N C T 120.12 1.94 20.17 21.81 94.20 55.30 -92.42 1.76 98.34 0.14 1.51 2.64 4.85 90.98 0.49 0.90 0.00 0.08 0.06 30 S C C 18.41 16.12 11.97 29.06 114.66 121.50 -69.41 138.83 95.64 1.01 3.35 73.76 20.19 1.63 2.29 0.87 0.00 0.26 1.00 31 H H H 84.20 7.16 21.84 29.65 98.04 -139.44 -81.96 11.23 36.51 16.87 46.62 18.12 11.22 7.20 41.29 1.86 0.11 1.92 18.27 32 F H H 14.84 21.21 15.05 36.56 94.10 82.29 -63.72 -37.77 17.12 0.33 82.55 2.16 2.71 13.21 75.61 5.31 0.61 0.15 0.24 33 M H H 39.98 16.33 14.77 30.96 92.58 52.76 -65.36 -39.68 12.36 0.32 87.32 1.41 1.91 9.70 79.65 6.27 0.70 0.14 0.22 34 K H H 148.02 1.68 18.67 19.99 94.37 46.04 -69.39 -39.37 12.27 0.28 87.45 1.21 1.81 9.64 78.15 8.34 0.54 0.13 0.19 35 D H H 92.68 4.47 16.78 22.15 95.73 42.92 -76.80 -33.09 23.02 0.19 76.79 1.11 2.71 19.61 69.31 6.62 0.41 0.08 0.15 36 L C H 43.29 15.46 12.71 28.15 97.58 35.25 -96.94 -7.72 50.17 0.51 49.32 2.59 10.28 37.49 44.33 4.34 0.31 0.17 0.49 37 G C C 52.33 2.16 21.16 22.63 95.86 -114.74 76.10 19.54 99.22 0.16 0.63 49.03 7.59 42.72 0.21 0.28 0.00 0.08 0.09 38 L C C 24.32 21.34 8.37 28.13 117.47 154.01 -84.00 142.37 97.92 0.74 1.34 89.48 6.39 2.05 0.68 0.46 0.00 0.25 0.68 39 D C C 84.59 3.12 19.91 22.63 122.25 -139.02 -90.08 161.85 98.30 0.51 1.19 91.20 5.43 1.73 0.72 0.33 0.00 0.18 0.42 40 S H H 69.12 6.94 14.88 23.03 94.97 -94.48 -61.93 -40.27 21.39 0.31 78.30 6.26 9.35 7.71 74.05 2.25 0.06 0.09 0.23 41 L H H 108.61 2.48 18.68 21.03 92.62 50.49 -65.32 -39.87 8.08 0.03 91.89 0.79 1.05 6.02 89.04 3.05 0.02 0.01 0.01 42 D H H 46.72 11.65 17.54 29.76 92.26 50.54 -66.16 -39.75 5.80 0.05 94.15 1.50 0.65 3.49 91.28 3.03 0.01 0.03 0.02 43 Q H H 23.82 19.82 15.75 35.16 91.35 52.22 -62.87 -42.35 1.78 0.01 98.20 0.53 0.17 0.97 97.39 0.94 0.00 0.01 0.00 44 V H H 63.37 7.43 21.73 29.80 91.75 50.87 -63.94 -41.97 0.22 0.00 99.78 0.06 0.01 0.09 99.81 0.03 0.00 0.00 0.00 45 E H H 96.29 4.42 24.16 28.40 91.67 50.38 -64.22 -41.41 0.06 0.00 99.94 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 46 I H H 12.02 20.62 19.71 40.17 91.76 49.55 -63.99 -43.40 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 47 I H H 21.65 19.63 20.38 39.39 91.45 50.16 -62.59 -42.72 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 48 M H H 88.90 4.02 24.45 28.25 91.62 50.06 -63.81 -41.65 0.12 0.00 99.88 0.00 0.00 0.09 99.89 0.02 0.00 0.00 0.00 49 A H H 27.07 7.93 21.22 30.69 91.42 50.48 -63.97 -42.25 0.76 0.00 99.24 0.02 0.02 0.73 99.18 0.05 0.00 0.00 0.00 50 M H H 9.32 21.22 15.64 37.27 91.81 49.84 -64.71 -41.99 1.39 0.00 98.61 0.10 0.13 1.12 98.47 0.19 0.00 0.00 0.00 51 E H H 68.29 11.86 16.36 28.64 91.95 51.47 -63.62 -41.67 0.65 0.00 99.35 0.08 0.05 0.43 99.12 0.32 0.00 0.00 0.00 52 D H H 113.77 1.07 19.15 18.50 93.16 47.01 -67.89 -38.96 1.13 0.00 98.86 0.07 0.06 0.91 98.42 0.54 0.00 0.00 0.00 53 E H H 101.56 6.62 16.28 23.82 96.42 41.78 -75.39 -37.25 3.64 0.01 96.36 0.11 0.20 3.24 95.94 0.50 0.01 0.00 0.00 54 F H H 56.06 14.07 12.62 27.07 100.58 26.21 -105.43 -7.16 14.31 0.06 85.63 0.95 2.34 10.88 85.22 0.51 0.03 0.01 0.04 55 G C C 57.53 1.51 18.82 19.46 95.78 -119.80 73.94 21.52 99.55 0.17 0.28 47.81 10.94 40.87 0.08 0.14 0.00 0.10 0.06 56 F C C 57.17 14.87 10.13 25.05 122.20 137.42 -106.83 146.81 97.22 2.59 0.20 91.51 5.44 0.48 0.07 0.10 0.00 1.47 0.93 57 E C C 141.28 1.98 20.71 22.56 114.28 -137.10 -98.98 126.54 96.61 3.27 0.11 95.47 1.48 0.20 0.05 0.04 0.00 1.54 1.23 58 I C C 27.26 21.64 9.45 29.92 115.98 -151.70 -100.28 127.41 99.00 0.84 0.17 97.43 1.69 0.14 0.08 0.04 0.00 0.42 0.21 59 P C C 59.78 5.46 16.78 23.60 113.44 -115.76 -68.11 149.61 95.83 0.38 3.79 91.84 2.26 2.37 1.52 1.65 0.00 0.18 0.18 60 D C T 106.69 4.87 13.94 20.28 95.57 -110.47 -67.91 -22.07 59.95 0.51 39.54 18.24 17.58 24.06 17.65 21.83 0.01 0.19 0.45 61 I C T 99.99 4.57 14.60 20.28 99.32 69.99 -76.56 -20.10 54.25 0.58 45.17 14.95 13.47 25.41 21.85 23.59 0.04 0.24 0.46 62 D C C 63.63 8.17 16.29 25.40 98.53 54.95 -80.17 -6.08 50.86 0.58 48.56 29.72 6.54 13.98 24.30 24.84 0.00 0.27 0.35 63 A H G 16.39 20.61 11.17 30.84 93.53 85.22 -64.30 -32.95 23.66 0.36 75.98 9.57 3.47 9.97 31.23 45.43 0.00 0.20 0.13 64 E H G 120.92 5.24 18.56 25.07 91.84 62.62 -66.50 -25.70 23.93 0.20 75.87 3.84 3.12 15.34 26.68 50.82 0.01 0.12 0.08 65 K H G 123.56 4.39 20.14 24.99 92.69 59.51 -77.67 -15.94 29.26 0.23 70.52 4.80 4.37 19.02 19.27 52.29 0.01 0.12 0.12 66 L C C 19.15 20.62 13.26 33.67 102.73 71.31 -94.83 55.50 74.94 1.21 23.84 55.87 10.14 8.72 8.96 14.88 0.01 0.50 0.92 67 M C C 76.02 11.87 21.09 32.91 97.46 130.53 -88.13 -12.73 96.79 1.72 1.49 71.36 23.23 1.85 0.68 0.70 0.00 0.47 1.72 68 C C S 37.36 8.48 23.67 33.32 132.68 50.82 -127.99 154.30 93.36 5.80 0.84 14.93 77.34 0.17 0.76 0.04 0.00 0.34 6.42 69 P H H 18.10 21.71 15.93 37.69 91.36 -116.67 -58.60 -38.10 2.10 0.00 97.90 0.13 0.25 1.70 97.40 0.52 0.00 0.00 0.00 70 Q H H 97.60 6.38 22.27 29.38 91.52 55.07 -62.99 -40.66 1.02 0.00 98.98 0.08 0.07 0.81 98.53 0.52 0.00 0.00 0.00 71 E H H 78.47 6.62 22.53 29.58 91.72 49.45 -66.07 -40.02 0.26 0.00 99.74 0.06 0.02 0.14 99.29 0.48 0.00 0.00 0.00 72 I H H 5.19 24.10 17.02 41.34 91.64 50.42 -63.76 -43.68 0.12 0.00 99.88 0.03 0.01 0.06 99.81 0.09 0.00 0.00 0.00 73 V H H 25.51 16.30 19.85 36.16 91.38 50.10 -63.02 -42.44 0.13 0.01 99.86 0.02 0.01 0.07 99.80 0.08 0.00 0.01 0.00 74 D H H 85.04 2.50 23.96 25.38 91.62 50.22 -64.15 -41.41 0.25 0.00 99.75 0.02 0.01 0.16 99.67 0.13 0.00 0.00 0.00 75 Y H H 50.10 11.31 18.93 31.43 91.86 49.73 -65.03 -42.33 0.59 0.00 99.41 0.04 0.02 0.43 99.24 0.26 0.00 0.00 0.00 76 I H H 14.68 20.57 15.36 35.83 92.51 48.94 -66.01 -39.62 2.26 0.01 97.73 0.26 0.16 1.58 97.55 0.44 0.00 0.00 0.00 77 A H H 50.71 8.25 16.58 25.88 92.20 55.52 -66.76 -30.20 17.12 0.05 82.82 1.59 1.28 13.42 82.86 0.79 0.01 0.02 0.03 78 D C H 102.66 2.25 17.33 19.34 95.36 52.74 -82.95 -7.46 53.37 0.27 46.37 8.75 5.94 36.77 46.64 1.63 0.02 0.09 0.16 79 K C C 85.03 11.67 10.47 22.40 103.16 95.77 -82.60 34.92 63.45 1.06 35.48 32.72 13.42 17.41 31.12 4.31 0.01 0.42 0.59 80 K C H 137.21 3.76 13.42 18.65 100.01 136.70 -78.06 -21.72 58.25 1.30 40.45 27.25 12.80 18.82 28.17 11.63 0.03 0.63 0.67 81 D C C 93.54 4.19 12.69 18.31 101.52 56.80 -85.69 17.62 60.43 1.77 37.81 31.34 10.36 18.77 23.96 13.81 0.02 0.96 0.78 82 V C C 70.04 9.94 9.99 20.67 104.78 95.17 -87.79 6.74 61.06 3.52 35.42 35.49 10.80 15.09 22.77 12.44 0.03 2.02 1.36 83 Y C C 123.73 7.54 9.36 18.15 109.75 79.22 -94.52 100.25 72.94 2.76 24.30 58.12 2.44 13.06 17.74 5.73 0.00 1.69 1.22 84 E C C 135.43 3.22 13.55 18.32 110.18 -155.47 -91.43 117.47 99.84 0.09 0.07 99.71 0.10 0.09 0.04 0.00 0.00 0.05 0.01