# 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 K C C 141.70 3.13 14.27 18.69 115.91 -135.52 -90.59 135.41 99.97 0.02 0.00 99.80 0.17 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 90.37 5.30 11.00 18.13 112.84 -106.26 -65.86 146.63 93.83 0.55 5.62 87.10 1.28 6.12 1.03 3.92 0.00 0.28 0.28 2 H C C 110.91 7.74 9.56 18.63 112.23 -119.11 -84.74 128.76 89.63 1.76 8.61 62.77 13.42 12.16 1.27 8.55 0.00 0.91 0.92 3 R C C 163.16 3.15 13.46 17.99 107.78 -158.55 -94.29 82.12 88.17 2.72 9.10 60.17 17.44 9.58 1.33 8.66 0.00 1.43 1.38 4 Y C C 90.89 12.90 9.00 21.76 118.24 118.32 -97.18 136.12 92.71 3.76 3.53 71.86 16.56 3.38 1.05 2.57 0.00 1.31 3.26 5 R C C 140.66 3.67 14.47 19.59 118.57 -138.68 -95.17 140.40 99.31 0.36 0.34 87.21 11.39 0.68 0.17 0.12 0.00 0.11 0.33 6 P C T 98.70 4.75 12.47 18.79 110.07 -98.47 -60.91 138.60 95.05 0.15 4.79 5.07 5.30 85.06 2.45 1.92 0.00 0.06 0.13 7 G C T 53.57 2.95 14.97 18.71 97.21 21.92 85.04 -3.19 93.92 0.13 5.95 6.19 6.02 82.05 3.31 2.26 0.00 0.06 0.10 8 T C C 41.50 9.64 11.54 22.96 114.39 124.53 -80.60 145.29 73.55 2.20 24.25 55.32 14.78 2.73 23.39 1.54 0.00 0.53 1.71 9 V H H 83.44 4.43 17.41 22.69 94.19 -135.44 -63.03 -38.71 4.70 0.04 95.26 1.80 0.87 2.06 94.44 0.79 0.00 0.02 0.02 10 A H H 31.64 10.88 16.16 28.18 92.15 52.33 -64.33 -41.18 2.44 0.03 97.54 0.78 0.30 1.32 96.74 0.85 0.00 0.01 0.00 11 L H H 43.69 11.46 15.96 28.59 92.01 49.91 -64.89 -40.76 0.94 0.01 99.05 0.31 0.10 0.46 98.53 0.60 0.00 0.00 0.00 12 R H H 115.42 3.77 19.65 23.71 91.78 51.20 -64.06 -41.20 0.49 0.00 99.51 0.14 0.05 0.23 99.38 0.21 0.00 0.00 0.00 13 E H H 82.22 5.62 19.46 25.78 91.72 50.23 -64.64 -41.24 0.65 0.00 99.34 0.13 0.05 0.37 99.29 0.16 0.00 0.00 0.00 14 I H H 34.10 14.28 16.07 31.10 92.12 50.30 -64.48 -42.06 0.76 0.00 99.24 0.14 0.06 0.44 99.18 0.18 0.00 0.00 0.00 15 R H H 113.85 5.89 18.96 25.69 91.73 51.64 -63.84 -40.84 1.05 0.01 98.95 0.19 0.08 0.62 98.71 0.39 0.00 0.00 0.00 16 R H H 127.96 2.66 19.74 22.03 92.16 50.32 -65.03 -40.83 2.99 0.01 97.00 0.38 0.23 2.14 96.44 0.79 0.01 0.00 0.00 17 Y H H 67.48 10.98 15.60 27.64 92.69 49.39 -67.05 -38.61 6.36 0.03 93.60 1.13 0.72 4.24 92.74 1.13 0.01 0.01 0.02 18 Q H H 69.87 12.21 14.86 27.33 92.59 54.27 -65.48 -37.76 13.49 0.11 86.40 3.65 1.75 7.86 84.15 2.46 0.02 0.05 0.05 19 K H H 142.77 1.85 18.47 19.80 92.89 52.05 -69.80 -33.60 28.31 0.16 71.53 3.77 3.25 21.03 68.67 3.10 0.04 0.07 0.09 20 S C H 54.32 5.04 16.67 22.51 100.55 44.71 -90.91 -14.77 52.12 0.32 47.56 18.18 6.49 27.61 44.05 3.34 0.01 0.12 0.21 21 T H H 33.74 16.09 13.08 28.73 95.55 76.35 -67.62 -37.83 18.94 0.17 80.90 10.22 4.05 5.28 77.91 2.39 0.00 0.06 0.08 22 E H H 107.24 6.07 17.59 24.65 93.04 61.27 -63.41 -39.13 7.27 0.07 92.67 2.07 1.14 4.15 89.32 3.25 0.01 0.03 0.02 23 L H H 75.24 4.00 18.68 23.14 92.53 51.71 -65.57 -40.73 4.77 0.07 95.16 1.36 0.68 2.84 91.16 3.87 0.02 0.05 0.02 24 L H H 34.82 13.05 15.84 29.86 92.69 51.07 -65.47 -41.61 3.12 0.05 96.83 0.87 0.43 1.81 92.68 4.17 0.01 0.03 0.01 25 I H H 33.89 16.77 14.79 31.42 92.71 50.80 -65.88 -38.73 4.50 0.04 95.46 0.65 0.43 3.20 88.40 7.27 0.01 0.03 0.01 26 R H H 144.18 4.12 18.81 23.83 92.51 53.38 -68.20 -29.81 18.86 0.03 81.10 0.77 0.89 17.15 75.34 5.78 0.03 0.02 0.02 27 K H H 119.20 4.77 18.40 23.76 96.20 49.14 -86.81 -14.03 39.82 0.07 60.12 1.71 2.66 35.04 55.59 4.88 0.04 0.03 0.06 28 L C C 29.74 18.02 12.62 30.15 107.82 91.49 -81.32 99.33 67.71 0.28 32.00 33.34 27.37 5.06 32.46 1.50 0.00 0.06 0.21 29 P H H 60.12 6.52 20.68 28.07 94.42 -145.45 -64.08 -32.74 25.54 0.13 74.32 11.34 2.87 10.96 72.22 2.47 0.00 0.05 0.08 30 F H H 39.14 17.58 17.46 34.43 93.01 55.65 -65.99 -38.85 8.98 0.06 90.96 3.05 1.04 4.76 88.86 2.22 0.00 0.03 0.03 31 Q H H 60.49 13.78 18.84 32.34 91.99 54.22 -63.39 -40.57 1.62 0.01 98.37 0.65 0.19 0.71 97.41 1.04 0.00 0.00 0.00 32 R H H 120.50 3.97 23.01 26.76 91.86 50.91 -64.94 -40.91 0.82 0.00 99.18 0.24 0.08 0.42 98.76 0.50 0.00 0.00 0.00 33 L H H 41.39 11.12 20.47 32.36 91.98 50.60 -64.54 -42.45 0.59 0.00 99.40 0.14 0.05 0.32 99.21 0.27 0.00 0.00 0.00 34 V H H 12.86 20.02 17.39 37.31 91.93 50.33 -63.86 -42.58 0.38 0.00 99.62 0.08 0.02 0.21 99.57 0.13 0.00 0.00 0.00 35 R H H 107.64 8.24 21.05 29.72 91.54 51.36 -63.30 -41.31 0.45 0.00 99.55 0.06 0.03 0.27 99.48 0.15 0.00 0.00 0.00 36 E H H 93.75 3.17 22.67 25.11 91.66 49.71 -64.67 -41.65 0.93 0.00 99.06 0.11 0.06 0.64 98.94 0.25 0.00 0.00 0.00 37 I H H 28.15 13.12 17.97 32.20 92.24 49.49 -65.02 -41.92 1.60 0.00 98.39 0.22 0.12 1.06 98.04 0.55 0.00 0.00 0.00 38 A H H 15.43 15.77 13.94 30.50 91.75 52.37 -64.52 -38.78 4.05 0.02 95.94 0.58 0.31 2.83 94.01 2.25 0.00 0.00 0.00 39 Q H H 116.53 2.73 18.09 21.16 92.39 52.81 -66.40 -35.92 16.21 0.03 83.76 0.90 0.86 14.32 79.84 4.04 0.02 0.01 0.02 40 D H H 96.17 2.96 16.68 19.96 94.35 51.50 -77.73 -21.88 29.34 0.07 70.59 2.06 2.20 24.82 67.30 3.51 0.03 0.03 0.05 41 F C H 68.80 12.96 10.45 23.53 103.13 58.28 -92.84 12.03 63.04 0.86 36.09 30.08 13.79 19.63 32.21 3.38 0.02 0.28 0.60 42 K C C 137.90 3.79 13.55 18.79 103.35 -109.24 -70.80 56.61 85.68 0.92 13.41 59.38 8.84 16.92 10.56 3.29 0.00 0.43 0.59 43 T C C 89.10 4.70 11.36 17.52 102.96 90.58 -91.03 -3.17 82.78 0.91 16.31 40.89 22.89 19.20 10.25 5.80 0.00 0.37 0.60 44 D C C 99.38 3.86 12.83 17.63 105.60 65.46 -87.10 51.46 78.58 0.90 20.52 44.74 18.78 15.18 12.15 8.18 0.00 0.37 0.60 45 L C C 91.68 8.08 11.42 20.56 101.79 -158.98 -77.62 10.22 64.68 1.44 33.88 38.91 12.87 12.53 19.48 14.78 0.01 0.70 0.72 46 R C C 142.03 4.51 16.03 21.57 102.67 90.84 -79.62 -6.92 59.95 3.22 36.83 38.37 10.39 10.84 23.40 13.91 0.02 1.81 1.24 47 F C C 66.19 14.83 11.82 26.32 105.03 72.28 -85.66 46.66 57.22 3.79 38.99 41.18 8.87 7.21 28.91 10.30 0.02 2.07 1.44 48 Q C C 89.90 6.70 17.10 24.52 111.30 98.92 -82.51 141.05 54.21 1.30 44.48 43.32 5.98 4.41 42.54 2.66 0.00 0.59 0.49 49 S H H 66.00 6.32 15.69 22.99 94.69 -106.62 -65.01 -37.96 14.08 0.14 85.78 7.04 2.98 4.28 84.29 1.30 0.00 0.05 0.06 50 S H H 66.99 2.82 19.69 22.06 93.04 51.61 -66.62 -39.24 5.41 0.05 94.55 2.15 0.83 2.37 93.72 0.89 0.00 0.02 0.02 51 A H H 20.33 12.73 16.41 30.32 92.32 50.75 -65.20 -41.68 1.86 0.02 98.13 0.81 0.23 0.79 97.62 0.55 0.00 0.01 0.00 52 V H H 25.44 16.53 16.86 33.48 91.93 50.02 -64.05 -42.32 0.76 0.01 99.23 0.31 0.08 0.32 99.04 0.23 0.00 0.00 0.00 53 M H H 93.97 4.14 22.60 26.71 91.49 50.25 -63.96 -41.44 0.47 0.00 99.52 0.17 0.05 0.21 99.45 0.11 0.00 0.00 0.00 54 A H H 44.56 5.29 21.94 27.68 91.54 50.66 -64.00 -41.77 0.38 0.00 99.62 0.10 0.03 0.19 99.60 0.07 0.00 0.00 0.00 55 L H H 26.09 17.51 18.57 35.94 92.10 49.95 -64.55 -41.91 0.22 0.00 99.78 0.05 0.02 0.11 99.77 0.04 0.00 0.00 0.00 56 Q H H 63.76 14.06 20.40 33.83 91.68 51.22 -62.89 -41.81 0.17 0.00 99.83 0.03 0.01 0.09 99.84 0.02 0.00 0.00 0.00 57 E H H 110.55 2.71 24.47 26.38 91.69 49.65 -64.75 -41.31 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 58 A H H 37.72 7.69 21.79 30.29 91.77 49.88 -64.77 -41.80 0.21 0.00 99.79 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 59 C H H 13.08 18.95 17.82 36.88 91.82 50.16 -64.27 -41.72 0.31 0.00 99.69 0.04 0.01 0.18 99.73 0.04 0.00 0.00 0.00 60 E H H 81.74 10.76 21.43 32.10 91.57 51.75 -63.06 -41.04 0.22 0.00 99.78 0.02 0.01 0.14 99.79 0.04 0.00 0.00 0.00 61 A H H 58.36 3.27 23.32 25.95 91.71 50.94 -64.58 -40.96 0.18 0.00 99.81 0.01 0.01 0.12 99.81 0.04 0.00 0.00 0.00 62 Y H H 81.84 11.19 21.41 32.61 92.18 49.21 -65.34 -41.63 0.21 0.00 99.79 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 63 L H H 24.45 19.18 18.78 37.40 92.09 49.71 -64.49 -42.25 0.31 0.00 99.69 0.03 0.01 0.20 99.66 0.09 0.00 0.00 0.00 64 V H H 62.71 7.79 21.83 30.11 91.79 50.75 -63.92 -41.82 0.60 0.00 99.40 0.06 0.03 0.42 99.29 0.20 0.00 0.00 0.00 65 G H H 29.94 4.70 22.12 27.19 91.87 50.84 -64.24 -41.40 2.97 0.00 97.02 0.24 0.16 2.37 96.55 0.68 0.00 0.00 0.00 66 L H H 29.41 15.61 18.93 34.67 92.19 50.18 -65.59 -41.75 6.06 0.02 93.92 0.54 0.43 4.81 92.86 1.33 0.01 0.01 0.01 67 F H H 47.49 16.56 18.07 34.16 92.51 50.46 -66.41 -39.93 10.23 0.13 89.64 2.53 1.53 6.32 87.03 2.43 0.04 0.06 0.06 68 E H H 113.73 3.94 21.97 26.10 92.66 52.04 -66.13 -37.98 20.34 0.26 79.39 4.40 2.79 13.20 76.64 2.68 0.06 0.12 0.12 69 D H H 71.92 7.52 20.69 28.41 95.68 46.41 -76.15 -27.59 35.08 0.34 64.59 8.86 4.85 21.20 61.81 2.92 0.04 0.14 0.17 70 T H H 24.65 18.83 16.66 34.54 97.06 55.83 -77.45 -27.06 42.75 0.79 56.46 17.44 8.13 17.90 52.11 3.64 0.04 0.34 0.40 71 N H H 74.19 10.37 21.54 31.65 94.29 80.46 -64.10 -32.20 32.19 0.85 66.96 15.32 4.78 13.03 62.03 4.01 0.03 0.45 0.35 72 L H H 66.04 7.52 22.43 30.21 92.96 57.14 -65.55 -40.99 13.28 0.77 85.95 5.42 2.42 6.40 78.70 6.23 0.07 0.54 0.21 73 C H H 19.45 14.57 18.52 33.79 92.59 51.04 -65.69 -40.83 8.27 1.10 90.64 3.18 1.41 4.30 82.26 7.62 0.08 0.98 0.17 74 A H H 18.90 13.29 16.63 31.11 92.50 52.55 -64.54 -39.94 8.39 1.53 90.08 3.35 1.42 4.22 81.67 7.53 0.08 1.51 0.21 75 I H H 87.10 5.24 19.25 24.90 92.89 50.19 -66.40 -40.43 12.12 2.22 85.67 3.93 2.00 6.92 79.22 5.46 0.18 1.95 0.35 76 H H H 104.58 6.06 17.73 24.48 93.30 48.33 -70.44 -31.56 23.67 2.11 74.22 6.03 3.90 14.83 69.12 3.74 0.33 1.46 0.59 77 A C T 34.15 12.59 12.41 25.61 96.55 51.22 -83.23 -7.35 61.94 1.21 36.85 14.11 10.30 36.46 34.98 2.94 0.07 0.56 0.58 78 K C T 162.22 1.91 17.45 19.66 95.21 -124.80 57.27 32.57 83.59 0.62 15.79 16.50 14.51 52.06 13.13 3.14 0.01 0.30 0.36 79 R C C 107.90 8.37 14.08 23.54 125.70 114.34 -118.80 144.21 89.14 1.99 8.87 35.17 27.63 26.67 5.50 3.13 0.00 0.98 0.91 80 V C C 93.02 7.78 14.90 23.64 99.52 -149.88 -90.82 -7.54 90.27 5.01 4.72 48.81 33.88 7.99 2.40 2.26 0.00 3.10 1.55 81 T C C 73.86 4.74 20.69 26.03 128.02 62.41 -121.17 145.11 89.26 7.40 3.34 56.28 27.98 5.38 1.27 2.09 0.00 5.19 1.82 82 I C C 35.10 20.53 11.75 31.62 111.44 -125.84 -88.99 121.04 89.58 7.15 3.26 71.23 16.04 1.91 1.51 1.84 0.00 3.66 3.80 83 M C C 73.38 6.82 19.60 27.15 125.43 -167.60 -103.86 155.90 98.07 0.43 1.50 92.39 5.35 0.17 1.70 0.06 0.00 0.13 0.20 84 P H H 82.32 6.31 16.39 23.98 90.81 -107.15 -57.79 -38.11 2.71 0.00 97.29 0.32 0.25 1.86 96.78 0.78 0.00 0.00 0.00 85 K H H 119.48 3.59 20.42 24.41 91.54 54.28 -64.17 -38.71 1.17 0.00 98.83 0.13 0.07 0.81 98.29 0.71 0.00 0.00 0.00 86 D H H 15.88 18.46 16.29 34.91 91.99 50.82 -65.32 -41.15 0.32 0.00 99.67 0.06 0.02 0.17 99.23 0.51 0.00 0.00 0.00 87 I H H 24.98 17.27 18.23 35.48 91.75 50.81 -64.04 -41.97 0.11 0.00 99.89 0.02 0.00 0.05 99.83 0.10 0.00 0.00 0.00 88 Q H H 91.61 3.63 24.59 27.75 91.39 50.74 -63.23 -42.23 0.12 0.00 99.88 0.01 0.00 0.06 99.88 0.04 0.00 0.00 0.00 89 L H H 35.69 10.03 21.52 32.82 91.60 50.26 -63.96 -42.42 0.14 0.00 99.86 0.01 0.00 0.08 99.87 0.04 0.00 0.00 0.00 90 A H H 5.27 20.18 16.53 37.51 91.28 51.20 -62.75 -42.75 0.23 0.00 99.77 0.02 0.01 0.14 99.76 0.07 0.00 0.00 0.00 91 R H H 87.18 8.90 19.51 29.18 91.49 50.96 -63.79 -40.87 0.72 0.00 99.28 0.08 0.04 0.46 99.15 0.26 0.00 0.00 0.00 92 R H H 134.70 2.93 19.89 22.79 91.87 50.75 -64.79 -40.83 1.69 0.00 98.31 0.18 0.10 1.22 97.88 0.62 0.00 0.00 0.00 93 I H H 52.67 13.06 15.38 28.89 92.63 49.40 -67.52 -36.48 6.62 0.03 93.35 0.40 0.42 5.59 92.83 0.73 0.01 0.01 0.01 94 R C T 95.62 10.66 13.90 25.21 95.51 45.75 -85.40 -5.96 53.38 0.12 46.51 1.29 2.64 47.71 46.95 1.27 0.03 0.04 0.08 95 G C T 54.29 2.65 14.43 18.06 98.82 -105.02 78.41 10.99 94.07 0.19 5.74 9.06 6.36 78.54 5.06 0.79 0.00 0.08 0.11 96 E C C 110.49 5.49 10.37 17.61 108.61 127.57 -87.17 102.62 96.82 0.42 2.76 89.85 2.01 5.51 1.43 0.75 0.00 0.17 0.28 97 R C C 154.63 4.54 13.02 19.40 110.78 91.70 -93.13 111.14 99.90 0.05 0.05 99.72 0.15 0.08 0.01 0.01 0.00 0.02 0.01