# 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 97.38 6.40 12.06 19.63 105.34 -121.36 -81.09 89.32 99.86 0.03 0.11 99.78 0.07 0.06 0.07 0.00 0.00 0.01 0.01 1 A H H 63.43 3.32 11.10 15.78 98.24 81.09 -69.23 -36.83 49.27 0.29 50.44 44.52 0.90 3.73 49.50 1.10 0.00 0.09 0.15 2 E H H 126.95 1.90 10.91 13.60 94.45 54.61 -66.55 -37.54 13.30 0.09 86.61 7.12 1.96 4.39 84.47 1.97 0.00 0.03 0.04 3 K H H 118.58 3.56 11.18 15.86 92.84 53.14 -65.74 -38.78 6.45 0.05 93.50 2.95 0.91 2.66 91.28 2.16 0.00 0.02 0.02 4 Q H H 101.08 2.41 12.89 16.13 92.40 51.18 -65.95 -39.78 3.68 0.03 96.29 1.73 0.52 1.48 94.58 1.66 0.00 0.01 0.01 5 R H H 132.68 1.83 14.58 16.38 92.14 50.84 -65.31 -40.46 3.24 0.03 96.73 1.53 0.42 1.29 95.87 0.87 0.00 0.01 0.01 6 Q H H 81.59 4.89 14.39 20.25 92.15 50.12 -65.06 -41.10 2.85 0.02 97.13 1.06 0.34 1.33 96.67 0.58 0.00 0.01 0.01 7 L H H 75.82 5.14 14.73 21.10 92.22 50.32 -65.42 -39.87 3.26 0.01 96.73 1.18 0.35 1.51 96.46 0.48 0.00 0.00 0.01 8 K H H 114.18 2.04 17.23 18.80 91.96 51.56 -64.65 -41.08 1.95 0.00 98.05 0.75 0.18 0.79 98.04 0.24 0.00 0.00 0.00 9 L H H 82.15 3.99 16.63 21.30 91.95 50.00 -64.42 -40.90 1.16 0.00 98.84 0.31 0.09 0.59 98.82 0.19 0.00 0.00 0.00 10 Q H H 67.14 8.47 14.76 24.27 92.16 50.70 -65.13 -40.34 0.61 0.00 99.38 0.14 0.04 0.31 99.38 0.12 0.00 0.00 0.00 11 K H H 109.41 3.21 17.33 20.98 92.03 51.79 -64.05 -40.69 0.37 0.00 99.63 0.08 0.02 0.18 99.63 0.09 0.00 0.00 0.00 12 I H H 85.74 2.37 17.31 19.50 91.70 50.06 -64.07 -41.67 0.34 0.00 99.66 0.05 0.02 0.19 99.63 0.11 0.00 0.00 0.00 13 Y H H 76.69 8.38 14.54 24.40 92.23 49.90 -64.92 -40.96 0.48 0.00 99.51 0.07 0.03 0.30 99.37 0.23 0.00 0.00 0.00 14 K H H 88.17 9.81 13.51 24.18 91.96 52.16 -64.15 -38.93 1.00 0.00 99.00 0.10 0.06 0.75 98.45 0.65 0.00 0.00 0.00 15 Q H H 127.48 1.70 16.61 18.11 92.36 50.83 -67.36 -34.50 3.69 0.00 96.30 0.14 0.15 3.43 95.33 0.95 0.00 0.00 0.00 16 K H H 128.08 2.91 16.11 19.49 96.28 43.83 -80.30 -28.94 10.80 0.01 89.18 0.25 0.53 10.30 88.06 0.84 0.02 0.00 0.01 17 Y H H 84.52 11.57 12.11 24.21 104.17 30.49 -112.45 12.97 48.28 0.52 51.21 5.25 8.81 34.08 49.15 1.99 0.13 0.15 0.43 18 I C T 88.13 7.96 13.69 22.87 110.66 116.89 -73.74 127.47 78.39 2.21 19.40 15.50 12.88 49.92 12.82 6.19 0.10 0.95 1.64 19 G C T 47.07 5.58 15.79 22.24 101.87 0.78 78.31 1.10 87.86 0.83 11.31 23.47 17.36 47.42 3.70 7.08 0.00 0.37 0.60 20 L C C 95.37 6.16 15.44 22.52 103.60 101.00 -94.11 1.17 89.52 1.24 9.24 43.23 21.27 24.99 2.57 6.46 0.00 0.49 0.99 21 G C C 30.70 11.99 10.87 22.86 122.99 95.62 -90.06 169.85 97.01 1.38 1.62 55.29 32.84 8.53 0.32 1.40 0.00 0.52 1.10 22 D C C 78.94 3.70 15.68 20.24 129.57 -151.39 -119.41 165.57 98.20 1.38 0.42 84.36 12.39 0.99 0.12 0.28 0.00 0.40 1.45 23 E C T 157.51 2.04 11.73 15.17 91.48 -97.32 -63.80 -24.30 98.78 0.13 1.09 1.81 7.43 89.58 0.13 0.91 0.00 0.08 0.06 24 S C T 96.24 0.71 13.82 13.28 94.52 56.70 -89.74 -0.63 99.20 0.07 0.73 3.19 5.72 90.26 0.09 0.66 0.00 0.04 0.03 25 T C C 33.75 13.38 6.87 20.37 117.19 106.72 -77.83 141.54 98.32 1.37 0.31 80.04 17.57 0.34 0.14 0.13 0.00 0.33 1.45 26 T C C 72.77 2.04 17.00 18.32 121.54 -129.55 -84.02 165.35 97.19 2.65 0.16 95.65 1.41 0.05 0.12 0.02 0.00 0.41 2.33 27 R H H 148.69 5.17 12.32 19.45 91.16 -104.85 -58.27 -38.23 1.37 0.00 98.63 0.19 0.18 0.85 98.43 0.34 0.00 0.00 0.00 28 E H H 125.07 1.99 16.05 17.79 91.67 53.22 -64.42 -40.45 0.63 0.00 99.37 0.06 0.04 0.46 99.04 0.39 0.00 0.00 0.00 29 Q H H 75.87 5.10 15.84 22.30 91.84 49.20 -65.10 -40.84 0.21 0.00 99.79 0.03 0.01 0.13 99.43 0.39 0.00 0.00 0.00 30 W H H 57.66 11.86 13.49 26.70 91.85 50.11 -64.35 -41.94 0.17 0.00 99.83 0.02 0.01 0.10 99.70 0.17 0.00 0.00 0.00 31 Q H H 78.25 6.35 17.63 24.96 91.94 49.73 -64.32 -40.87 0.47 0.00 99.53 0.05 0.02 0.34 99.48 0.12 0.00 0.00 0.00 32 R H H 124.89 3.43 19.55 22.83 92.02 49.66 -65.14 -41.16 1.04 0.00 98.96 0.09 0.07 0.76 98.96 0.12 0.00 0.00 0.00 33 N H H 55.95 7.89 17.73 26.91 92.64 49.28 -65.83 -39.88 3.20 0.01 96.79 0.62 0.28 2.06 96.76 0.28 0.00 0.00 0.01 34 V H H 51.31 10.05 17.93 28.93 91.91 51.07 -64.53 -41.55 2.93 0.02 97.05 0.81 0.35 1.70 96.29 0.84 0.01 0.01 0.01 35 R H H 112.81 6.77 19.31 26.61 92.00 50.55 -64.21 -40.80 3.78 0.02 96.19 0.95 0.43 2.25 94.94 1.39 0.01 0.01 0.01 36 N H H 76.66 5.19 19.82 25.50 92.29 49.42 -65.65 -40.31 6.94 0.04 93.02 1.61 0.83 4.24 91.54 1.73 0.01 0.01 0.02 37 D H H 58.75 7.27 18.46 26.65 93.21 51.36 -66.42 -40.28 13.35 0.09 86.56 5.18 1.81 6.11 85.09 1.72 0.01 0.03 0.06 38 T H H 48.72 9.02 18.21 28.04 93.19 49.52 -66.19 -41.20 14.38 0.08 85.53 3.64 1.68 8.95 83.91 1.72 0.02 0.03 0.05 39 L H H 65.60 9.92 17.08 27.68 92.55 50.59 -64.54 -41.26 7.66 0.04 92.29 1.33 1.10 5.14 90.10 2.25 0.03 0.02 0.02 40 N H H 91.03 3.13 19.32 22.42 92.32 50.73 -65.64 -39.49 6.64 0.04 93.31 1.10 0.77 4.60 88.73 4.74 0.02 0.02 0.02 41 T H H 66.52 5.15 17.73 23.53 93.12 50.17 -67.91 -36.99 8.05 0.04 91.91 0.91 0.71 6.18 85.98 6.16 0.02 0.02 0.02 42 L H H 48.09 12.74 13.45 26.77 93.77 49.72 -71.82 -30.43 10.35 0.06 89.59 0.86 0.92 8.51 83.76 5.86 0.04 0.03 0.03 43 Q H H 106.20 6.71 15.09 23.04 96.90 66.31 -65.01 -11.97 38.85 0.05 61.10 0.61 1.16 37.35 56.69 4.09 0.04 0.02 0.04 44 G C T 58.80 1.56 16.77 17.88 95.56 37.76 -80.31 -6.15 69.52 0.04 30.44 1.13 2.27 65.60 28.36 2.57 0.01 0.01 0.05 45 H C C 86.40 7.42 12.14 21.16 107.62 80.93 -109.49 90.03 98.49 0.33 1.18 90.17 7.70 0.43 1.13 0.13 0.00 0.07 0.38 46 S H H 67.17 6.44 13.54 21.83 94.47 -170.56 -63.20 -37.50 8.11 0.01 91.88 1.44 1.04 5.40 90.06 2.05 0.00 0.00 0.01 47 A H H 67.91 2.74 17.78 20.48 92.26 54.04 -64.69 -39.70 6.23 0.01 93.76 0.57 0.51 5.04 91.80 2.07 0.00 0.00 0.00 48 S H H 39.27 7.41 17.38 26.12 91.96 49.44 -65.60 -40.69 2.13 0.00 97.86 0.34 0.18 1.47 96.09 1.92 0.00 0.00 0.00 49 L H H 28.59 14.74 14.78 30.31 91.67 51.09 -63.81 -41.85 0.25 0.00 99.75 0.04 0.01 0.13 99.63 0.18 0.00 0.00 0.00 50 E H H 93.05 6.73 20.27 27.66 91.65 51.46 -63.39 -41.86 0.12 0.00 99.88 0.01 0.00 0.07 99.87 0.05 0.00 0.00 0.00 51 Y H H 114.94 4.02 21.55 25.23 91.73 49.93 -64.31 -42.16 0.11 0.00 99.89 0.00 0.00 0.07 99.86 0.05 0.00 0.00 0.00 52 V H H 38.69 9.71 18.16 29.24 91.99 49.38 -64.72 -41.98 0.17 0.00 99.83 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 53 S H H 14.44 11.46 13.95 27.67 91.29 50.95 -63.21 -42.11 0.61 0.00 99.39 0.06 0.04 0.43 99.32 0.15 0.00 0.00 0.00 54 L H H 93.13 4.11 16.26 21.21 92.02 50.07 -65.16 -40.32 1.32 0.00 98.68 0.09 0.07 1.08 98.28 0.47 0.00 0.00 0.00 55 S H H 72.33 3.55 14.94 19.61 91.76 51.71 -68.03 -29.42 5.87 0.01 94.12 0.20 0.29 5.40 93.48 0.62 0.00 0.00 0.00 56 R C T 132.00 4.36 13.26 18.94 95.39 47.64 -90.42 -1.64 61.33 0.03 38.65 0.66 2.10 57.36 38.69 1.15 0.00 0.01 0.03 57 G C T 62.36 1.13 14.12 15.16 95.28 -113.94 74.50 14.08 99.30 0.01 0.69 4.34 2.86 92.29 0.41 0.10 0.00 0.00 0.00 58 D C C 83.64 5.08 12.44 19.36 121.42 112.39 -114.55 136.14 99.44 0.20 0.35 83.40 13.86 2.18 0.14 0.17 0.00 0.07 0.19 59 L C C 95.97 7.03 12.46 20.79 108.04 -143.70 -86.84 94.86 99.44 0.35 0.21 70.77 27.93 0.80 0.10 0.08 0.00 0.13 0.19 60 S C C 51.91 3.84 17.77 21.83 118.98 -25.70 -88.55 155.90 97.73 1.58 0.68 94.84 2.54 0.28 0.49 0.12 0.00 0.40 1.32 61 I H H 78.35 12.06 12.50 25.07 92.34 -118.67 -60.30 -37.99 2.08 0.01 97.90 0.71 0.45 0.85 97.58 0.40 0.00 0.00 0.00 62 R H H 152.61 2.26 18.44 20.81 91.66 53.41 -63.86 -40.84 0.98 0.00 99.02 0.18 0.10 0.56 98.69 0.46 0.00 0.00 0.00 63 D H H 69.04 4.20 18.95 23.67 92.14 48.04 -66.52 -40.30 0.39 0.00 99.60 0.11 0.03 0.20 99.28 0.37 0.00 0.00 0.00 64 T H H 13.78 15.23 14.47 30.93 91.78 50.88 -63.92 -43.01 0.13 0.00 99.87 0.03 0.01 0.06 99.85 0.05 0.00 0.00 0.00 65 R H H 86.30 10.61 18.69 29.77 91.64 51.16 -62.92 -41.91 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 66 I H H 80.76 3.99 20.23 24.24 91.76 49.81 -63.94 -42.41 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 67 H H H 90.46 5.36 19.88 25.78 92.08 49.18 -65.25 -41.25 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 68 L H H 38.33 13.40 16.00 30.10 92.02 49.59 -64.51 -41.57 0.49 0.00 99.51 0.04 0.02 0.34 99.44 0.15 0.00 0.00 0.00 69 L H H 69.12 8.58 16.66 26.12 92.05 50.43 -64.58 -39.17 0.66 0.00 99.34 0.06 0.03 0.46 98.95 0.49 0.00 0.00 0.00 70 K H H 136.25 2.19 18.49 20.64 92.20 50.97 -66.20 -37.39 3.37 0.00 96.63 0.16 0.13 2.92 95.27 1.52 0.00 0.00 0.00 71 S H H 58.81 6.51 15.77 23.28 93.32 51.00 -72.70 -25.83 17.82 0.01 82.16 0.60 0.67 16.47 80.39 1.86 0.01 0.00 0.01 72 M H H 70.95 11.71 12.85 25.01 98.55 54.26 -88.81 -10.04 45.27 0.33 54.40 6.44 6.82 32.08 51.43 2.82 0.05 0.10 0.25 73 S C C 51.54 8.02 13.20 22.52 113.17 99.81 -79.23 141.91 64.70 0.96 34.33 31.72 22.45 11.49 26.30 6.98 0.01 0.32 0.73 74 P C H 89.70 4.01 15.18 20.15 104.91 -71.34 -68.79 130.13 57.59 0.63 41.78 28.70 9.32 20.11 31.60 9.58 0.01 0.28 0.39 75 G C H 38.36 6.62 14.43 22.03 102.93 26.23 -38.42 -15.21 54.63 0.71 44.67 31.56 7.51 16.14 34.64 9.39 0.01 0.31 0.45 76 Y H H 99.52 9.00 12.43 22.42 96.02 72.57 -68.73 -33.40 25.58 0.36 74.06 16.56 4.64 5.67 68.54 4.27 0.01 0.16 0.15 77 K H H 115.81 3.33 15.28 19.44 92.99 59.10 -64.15 -40.76 12.25 0.18 87.57 7.07 2.13 3.68 83.56 3.41 0.00 0.09 0.06 78 A H H 54.63 2.97 14.72 18.54 92.26 51.69 -65.06 -39.44 8.82 0.17 91.02 5.16 1.37 2.81 87.00 3.51 0.00 0.10 0.04 79 Y H H 91.75 5.58 12.26 19.70 92.50 50.87 -66.24 -39.07 8.71 0.21 91.09 5.25 1.29 2.79 87.09 3.40 0.00 0.14 0.05 80 L H H 77.82 4.85 11.30 17.92 92.75 51.96 -66.47 -38.21 9.99 0.25 89.75 5.96 1.54 3.23 85.89 3.15 0.00 0.15 0.06 81 R H H 155.08 1.48 11.87 13.65 93.73 52.13 -67.77 -36.76 14.27 0.27 85.46 7.32 2.31 5.36 81.26 3.50 0.01 0.14 0.09 82 E H H 136.97 1.50 10.38 12.49 95.16 52.44 -71.42 -30.12 25.46 0.29 74.25 10.23 3.73 11.65 71.08 3.05 0.01 0.13 0.14 83 E C H 132.34 2.61 8.79 12.80 98.57 55.90 -80.99 -9.62 53.34 0.26 46.41 30.85 1.41 19.81 45.78 1.90 0.00 0.10 0.16 84 R C C 162.01 2.97 10.35 14.90 102.22 105.10 -73.86 29.80 99.83 0.01 0.15 99.55 0.09 0.22 0.12 0.01 0.00 0.00 0.00