# 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 90.68 10.32 12.08 22.83 113.84 -149.01 -86.58 130.37 99.86 0.11 0.03 99.80 0.08 0.03 0.01 0.00 0.00 0.05 0.02 1 R C C 148.56 4.12 11.28 17.05 111.31 -144.78 -87.62 126.61 82.60 7.71 9.69 78.23 1.56 3.24 6.19 2.64 0.00 4.28 3.85 2 R C C 158.99 3.34 10.49 15.46 109.37 -132.18 -76.25 118.97 71.03 6.31 22.65 33.27 11.47 27.44 10.49 10.92 0.05 3.91 2.44 3 G C T 43.85 5.31 12.24 18.76 102.61 19.73 71.86 -13.23 71.39 3.15 25.47 27.65 14.34 30.58 11.83 12.44 0.04 1.77 1.35 4 L C C 80.16 8.73 10.02 19.77 107.41 79.86 -83.10 82.29 69.07 4.55 26.38 45.88 12.25 10.80 15.69 10.73 0.02 2.41 2.23 5 K C C 130.14 3.79 13.07 18.21 107.93 92.54 -87.70 81.88 69.10 3.72 27.18 46.03 12.14 10.65 21.34 6.24 0.02 1.94 1.65 6 K C C 123.11 4.82 12.75 18.79 103.52 41.86 -82.22 11.28 66.69 2.43 30.87 39.77 13.46 13.57 23.55 7.33 0.02 1.30 1.00 7 T C C 65.86 7.93 11.25 20.33 104.84 77.30 -80.57 19.16 64.89 2.29 32.82 38.74 13.35 12.98 25.12 7.61 0.02 1.17 1.00 8 Q C C 103.34 5.37 12.89 19.51 102.85 59.52 -78.87 -1.37 63.23 2.54 34.24 40.66 12.17 10.61 26.43 7.70 0.02 1.31 1.09 9 V C H 87.59 5.01 12.65 18.86 98.95 61.12 -75.04 -31.51 57.78 2.32 39.90 27.16 12.54 18.71 29.53 9.80 0.04 1.24 0.98 10 H C H 116.16 5.33 13.09 19.51 99.22 55.00 -78.67 -19.96 61.27 2.14 36.59 26.43 13.78 21.56 26.60 9.52 0.04 1.15 0.92 11 H C C 95.59 7.93 11.71 20.73 102.94 64.57 -86.44 7.75 65.50 4.21 30.29 38.08 16.00 11.87 22.14 7.95 0.03 2.42 1.51 12 Q C C 110.66 4.31 14.26 19.73 104.57 68.59 -83.18 62.45 66.52 9.71 23.77 48.94 9.25 7.56 19.67 5.00 0.02 6.74 2.83 13 V C C 72.18 8.81 11.50 21.26 108.01 70.61 -89.57 89.94 68.54 10.89 20.57 52.66 9.58 5.53 17.90 3.63 0.02 7.41 3.26 14 T C C 68.53 7.22 12.44 20.87 107.84 62.65 -89.20 90.75 73.81 8.04 18.15 56.97 9.63 6.30 15.72 3.49 0.01 5.71 2.17 15 K C C 131.41 4.34 13.52 19.08 99.71 55.85 -79.53 -9.48 73.85 5.38 20.77 45.26 16.86 11.68 15.96 5.12 0.02 3.53 1.57 16 I C C 90.94 7.65 11.03 19.86 106.99 67.41 -87.87 70.01 80.44 3.16 16.40 48.83 18.45 12.90 12.35 4.46 0.01 1.85 1.14 17 D C C 98.85 4.00 13.48 18.64 105.97 80.58 -89.44 84.34 84.46 2.94 12.60 59.12 15.63 9.20 9.25 3.84 0.00 1.70 1.26 18 I C C 75.10 9.75 9.50 20.21 113.62 155.33 -92.07 126.68 82.82 2.28 14.90 60.83 16.93 4.80 11.22 3.99 0.00 1.17 1.07 19 P C C 85.76 4.37 12.57 18.33 105.04 -111.37 -68.46 135.11 77.60 2.22 20.19 60.69 8.68 8.11 12.58 7.70 0.00 1.44 0.80 20 K C C 138.38 3.42 12.05 16.85 103.76 -107.60 -80.30 42.26 75.20 3.19 21.61 52.72 13.18 9.29 12.58 9.03 0.01 1.83 1.36 21 I C C 92.53 6.78 10.36 18.55 110.63 54.78 -90.53 114.20 79.59 3.38 17.03 59.40 13.82 6.09 11.86 5.30 0.00 1.67 1.85 22 M C C 94.04 6.52 10.39 18.45 114.14 -124.35 -88.21 133.11 82.35 1.71 15.94 63.75 12.59 5.88 11.52 4.51 0.00 0.82 0.93 23 P C C 81.48 4.36 10.46 16.52 107.27 -112.98 -69.84 142.22 78.02 1.19 20.80 56.17 8.63 13.01 12.53 8.40 0.00 0.63 0.62 24 K C C 148.92 2.25 11.25 14.47 98.90 -91.14 -75.84 -21.75 73.86 1.04 25.09 41.33 12.65 20.19 14.54 10.15 0.00 0.48 0.67 25 Y C C 138.24 4.49 9.93 15.93 102.12 56.82 -89.60 3.32 75.56 1.30 23.15 43.09 14.29 18.45 14.15 8.61 0.00 0.59 0.82 26 K C C 119.13 5.33 10.66 17.48 106.54 76.16 -82.42 92.90 80.27 1.77 17.96 54.07 14.10 11.85 12.51 5.61 0.00 0.85 1.02 27 K C C 125.43 4.53 11.02 17.15 106.87 106.89 -83.50 59.83 77.93 2.47 19.60 54.43 12.60 10.42 14.53 5.44 0.00 1.19 1.39 28 N C C 102.52 4.00 12.46 17.75 108.02 54.23 -87.80 80.20 69.47 1.96 28.58 42.30 12.76 14.71 20.09 8.15 0.01 0.95 1.03 29 S C C 58.10 7.30 10.75 19.41 106.21 -136.43 -80.82 61.11 60.50 1.69 37.82 32.04 12.68 16.36 23.95 13.29 0.03 0.79 0.87 30 K C H 125.99 4.23 13.03 18.60 103.95 54.93 -80.22 5.17 51.50 2.97 45.53 31.16 9.78 10.89 31.30 14.09 0.04 1.58 1.17 31 R C C 127.08 5.88 13.06 20.18 105.23 61.93 -82.48 31.23 54.44 3.90 41.67 36.72 9.45 8.65 30.74 10.84 0.03 2.09 1.48 32 I C C 71.10 7.75 12.22 21.41 107.93 79.93 -85.56 107.56 57.25 2.35 40.39 43.65 8.60 5.40 35.88 4.41 0.01 1.11 0.95 33 E H H 115.10 3.39 15.76 19.92 94.19 -118.60 -64.20 -39.34 16.26 0.36 83.38 8.65 3.50 4.78 80.46 2.30 0.01 0.17 0.13 34 E H H 93.74 6.01 16.01 22.93 93.47 51.74 -66.58 -39.70 13.10 0.27 86.63 5.63 2.14 5.60 83.86 2.51 0.01 0.15 0.10 35 K H H 70.35 11.12 15.16 26.80 93.64 50.78 -67.57 -39.44 9.40 0.21 90.39 5.18 1.36 3.32 87.97 1.98 0.01 0.12 0.07 36 K H H 101.66 5.99 17.76 24.65 92.53 52.42 -64.97 -40.96 3.44 0.06 96.49 1.77 0.50 1.23 95.78 0.67 0.00 0.03 0.02 37 F H H 108.29 3.70 19.65 23.42 92.58 49.62 -65.35 -41.70 1.83 0.03 98.14 0.72 0.23 0.84 97.73 0.45 0.00 0.02 0.01 38 A H H 31.68 10.87 17.58 29.28 92.37 49.96 -64.95 -42.02 0.95 0.01 99.04 0.33 0.10 0.46 98.82 0.28 0.00 0.00 0.00 39 R H H 80.09 12.67 17.87 30.51 92.08 51.47 -63.84 -41.04 0.68 0.01 99.31 0.18 0.06 0.36 99.18 0.21 0.00 0.00 0.00 40 S H H 49.42 4.60 20.45 25.52 91.85 51.33 -64.53 -40.86 1.02 0.01 98.98 0.20 0.08 0.61 98.84 0.26 0.00 0.00 0.00 41 L H H 65.72 6.52 20.06 27.23 92.27 50.64 -65.19 -41.71 1.54 0.01 98.45 0.24 0.13 1.04 98.27 0.30 0.00 0.00 0.00 42 V H H 24.68 15.29 15.59 31.61 92.32 50.18 -65.09 -42.11 2.78 0.05 97.17 0.45 0.35 1.90 96.93 0.32 0.01 0.02 0.02 43 R H H 102.09 9.93 17.02 27.39 92.35 51.09 -64.30 -40.61 3.88 0.06 96.06 0.69 0.44 2.62 95.53 0.65 0.02 0.03 0.02 44 E H H 124.18 2.75 19.12 21.90 93.31 48.54 -68.32 -37.51 5.92 0.06 94.02 0.52 0.52 4.97 93.08 0.83 0.03 0.03 0.02 45 I H H 80.10 8.34 17.34 25.94 99.96 36.25 -87.22 -37.77 14.10 0.07 85.83 0.46 1.09 12.89 84.56 0.85 0.09 0.02 0.04 46 S H H 36.74 12.25 14.96 27.69 101.20 24.94 -103.49 -14.02 29.64 0.25 70.11 1.85 5.59 22.08 69.27 0.84 0.13 0.07 0.18 47 G C S 38.91 5.81 17.87 24.70 100.08 -118.61 80.61 6.55 97.61 0.72 1.67 35.34 47.25 15.14 0.76 0.82 0.00 0.31 0.37 48 Y C C 87.96 11.55 14.92 26.99 112.22 92.95 -105.23 119.14 93.51 2.60 3.89 64.38 23.95 4.67 2.67 1.18 0.00 0.83 2.32 49 A C H 37.27 10.21 15.78 27.15 111.65 -112.47 -74.71 155.09 59.66 0.42 39.92 37.38 13.90 7.68 38.19 2.45 0.00 0.13 0.26 50 P H H 73.63 6.13 19.19 26.00 93.58 -93.66 -63.54 -35.20 27.94 0.13 71.93 4.57 4.79 18.81 68.61 3.03 0.05 0.05 0.09 51 Y H H 72.57 13.62 18.12 31.56 93.67 50.84 -67.62 -36.77 16.34 0.15 83.51 3.86 2.41 10.45 79.89 3.20 0.04 0.07 0.08 52 E H H 50.55 16.01 17.42 32.93 92.83 53.77 -65.12 -40.73 4.87 0.04 95.09 2.01 0.72 2.14 93.52 1.58 0.00 0.02 0.02 53 S H H 57.61 5.41 22.00 27.68 92.06 51.36 -65.04 -40.62 1.91 0.01 98.07 0.64 0.22 0.92 97.48 0.73 0.00 0.01 0.00 54 K H H 91.27 7.44 22.34 30.03 92.06 50.14 -65.96 -40.48 1.41 0.01 98.58 0.31 0.13 0.83 97.98 0.75 0.00 0.00 0.00 55 A H H 8.21 20.05 16.91 37.19 91.77 51.15 -64.73 -42.20 1.38 0.01 98.62 0.23 0.10 0.88 98.02 0.77 0.00 0.00 0.00 56 I H H 55.36 11.44 20.51 32.25 91.75 51.17 -63.09 -41.65 1.09 0.00 98.90 0.17 0.09 0.71 97.83 1.20 0.00 0.00 0.00 57 S H H 53.13 3.51 22.41 25.63 91.49 51.75 -64.02 -41.04 2.18 0.01 97.81 0.19 0.12 1.65 94.70 3.32 0.00 0.00 0.00 58 I H H 32.98 13.10 17.54 31.64 92.12 50.79 -65.66 -39.39 3.69 0.01 96.30 0.21 0.18 3.11 90.59 5.90 0.01 0.00 0.00 59 L H H 33.72 16.92 14.70 31.64 92.09 54.62 -67.25 -31.03 18.00 0.08 81.92 1.08 1.06 15.88 75.79 6.06 0.05 0.04 0.05 60 K C T 132.15 3.67 18.07 22.43 93.58 57.31 -78.21 -13.14 55.66 0.21 44.13 3.24 3.40 47.83 40.64 4.61 0.03 0.09 0.14 61 L C S 79.43 7.63 11.68 20.72 107.94 90.93 -81.16 108.85 72.39 1.39 26.22 20.72 35.07 16.99 21.03 4.59 0.04 0.42 1.14 62 K C T 146.62 3.19 13.98 18.32 98.72 -127.65 -62.74 -26.73 57.01 0.65 42.34 13.43 11.97 31.36 17.20 25.28 0.03 0.29 0.45 63 D C T 106.22 3.16 15.14 19.18 97.28 63.96 -72.27 -8.53 57.56 0.63 41.82 14.52 11.21 31.79 17.83 23.91 0.03 0.27 0.45 64 I C C 45.49 15.38 11.07 26.17 101.49 59.05 -97.19 11.70 54.33 0.67 45.00 34.35 7.13 12.76 26.26 18.79 0.00 0.32 0.39 65 A H H 58.12 6.75 16.88 24.88 94.60 114.86 -62.24 -38.84 11.46 0.08 88.47 6.34 1.74 3.20 86.88 1.77 0.00 0.03 0.04 66 R H H 127.02 3.97 21.19 25.11 92.96 53.46 -65.91 -39.78 3.00 0.02 96.99 0.86 0.33 1.63 95.78 1.38 0.00 0.01 0.01 67 A H H 14.81 16.03 16.98 33.67 92.18 51.68 -64.72 -42.08 1.55 0.02 98.43 0.51 0.15 0.79 97.10 1.45 0.00 0.01 0.00 68 T H H 24.93 15.50 17.80 33.54 92.03 51.85 -63.83 -41.78 0.72 0.01 99.27 0.20 0.06 0.35 98.54 0.83 0.00 0.00 0.00 69 I H H 84.05 3.63 22.83 26.08 91.97 50.67 -64.21 -42.20 0.58 0.00 99.41 0.10 0.04 0.34 99.07 0.45 0.00 0.00 0.00 70 F H H 57.81 8.24 20.23 29.60 91.93 49.82 -64.28 -42.81 0.70 0.00 99.30 0.09 0.05 0.47 98.90 0.49 0.00 0.00 0.00 71 L H H 12.90 18.93 14.58 34.13 91.61 50.23 -64.15 -42.12 0.72 0.00 99.28 0.11 0.07 0.44 99.15 0.23 0.00 0.00 0.00 72 K H H 90.41 10.19 16.53 27.20 91.76 52.16 -63.85 -39.86 0.69 0.00 99.31 0.09 0.05 0.44 99.27 0.16 0.00 0.00 0.00 73 R H H 167.20 1.44 18.97 19.53 92.67 49.68 -67.54 -38.10 1.43 0.00 98.56 0.06 0.07 1.20 98.42 0.24 0.00 0.00 0.00 74 R H H 120.22 6.79 16.91 24.39 98.06 38.32 -83.58 -37.10 4.55 0.01 95.44 0.10 0.21 4.24 95.16 0.28 0.01 0.00 0.00 75 L H H 50.94 12.84 12.76 26.04 101.87 26.64 -102.66 -15.75 15.15 0.07 84.78 0.91 2.27 11.43 84.99 0.31 0.03 0.01 0.04 76 G C C 43.01 3.10 17.10 20.91 110.34 -124.60 82.08 -72.17 99.05 0.32 0.63 52.86 36.09 10.17 0.26 0.29 0.00 0.12 0.20 77 S C C 53.46 4.09 17.02 21.74 129.77 10.29 -135.93 164.18 97.02 1.72 1.26 48.56 46.70 1.72 0.86 0.31 0.00 0.34 1.51 78 N H H 89.07 8.32 13.54 22.77 94.82 -106.26 -64.42 -36.86 26.89 0.27 72.83 6.01 17.76 4.14 71.18 0.67 0.02 0.05 0.17 79 K H H 144.95 1.28 18.53 18.42 92.34 49.76 -63.82 -41.60 3.81 0.01 96.18 0.46 0.67 2.34 96.03 0.48 0.00 0.00 0.00 80 R H H 101.34 5.38 17.85 24.13 92.24 47.93 -65.99 -40.16 1.55 0.00 98.44 0.30 0.17 0.93 98.06 0.54 0.00 0.00 0.00 81 T H H 10.97 17.44 12.51 30.71 91.41 51.88 -63.44 -42.62 0.55 0.00 99.45 0.12 0.05 0.29 99.26 0.29 0.00 0.00 0.00 82 Q H H 90.56 5.12 20.22 25.88 91.69 50.90 -63.90 -41.20 0.30 0.00 99.70 0.06 0.02 0.15 99.67 0.10 0.00 0.00 0.00 83 K H H 112.70 2.05 22.10 22.56 91.78 49.61 -64.55 -41.49 0.20 0.00 99.80 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 84 K H H 56.32 12.80 18.26 31.39 92.43 49.41 -65.64 -40.83 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 85 I H H 40.42 15.46 16.81 32.26 91.81 51.08 -63.32 -42.16 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 86 K H H 121.89 1.96 22.88 23.33 91.47 50.22 -64.03 -41.70 0.11 0.00 99.89 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 87 E H H 89.80 4.65 21.08 25.97 91.78 49.31 -64.67 -41.43 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 88 L H H 19.72 17.84 15.23 33.50 92.06 49.94 -64.94 -41.25 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 89 Q H H 79.81 7.47 18.85 27.14 91.63 52.10 -63.17 -40.96 0.33 0.00 99.67 0.04 0.01 0.21 99.67 0.07 0.00 0.00 0.00 90 I H H 98.29 1.75 19.94 20.07 91.99 49.94 -64.82 -40.92 0.65 0.00 99.35 0.06 0.03 0.45 99.24 0.21 0.00 0.00 0.00 91 A H H 34.30 9.34 14.70 25.60 92.27 51.19 -65.42 -39.38 1.53 0.00 98.47 0.12 0.08 1.13 98.23 0.43 0.00 0.00 0.00 92 A H H 41.45 12.43 12.15 25.02 92.63 53.01 -69.66 -27.17 10.58 0.02 89.41 0.66 0.58 8.64 89.39 0.71 0.01 0.01 0.01 93 S H H 85.61 1.88 13.46 15.86 96.37 57.09 -81.45 -9.44 45.29 0.16 54.54 9.78 1.23 31.19 56.71 0.93 0.00 0.05 0.11 94 E C C 122.68 4.20 12.23 18.26 109.51 89.94 -80.46 123.29 99.88 0.04 0.08 99.51 0.21 0.18 0.07 0.01 0.00 0.02 0.01