# 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 106.79 7.25 11.68 20.05 116.09 -162.50 -97.13 132.13 99.90 0.08 0.01 99.85 0.07 0.03 0.00 0.00 0.00 0.04 0.01 1 T C C 87.74 4.33 10.29 16.20 115.92 -166.09 -100.20 135.44 89.62 5.17 5.21 85.97 1.16 3.27 3.03 1.33 0.00 2.89 2.36 2 A C C 72.99 4.19 9.16 15.01 113.01 -140.31 -90.20 126.33 83.55 5.83 10.62 60.86 13.50 8.98 6.43 4.30 0.00 3.45 2.46 3 R C C 149.75 3.80 9.40 14.78 109.11 -150.30 -88.91 103.89 79.29 4.48 16.22 54.00 16.17 9.11 10.31 6.00 0.01 2.54 1.86 4 T C C 87.89 3.73 9.91 15.19 104.14 60.85 -84.94 12.98 74.90 2.69 22.42 53.91 12.36 8.55 13.82 8.70 0.00 1.55 1.11 5 Q C C 117.97 3.58 9.83 14.96 102.36 62.17 -81.44 2.33 72.72 2.52 24.76 52.07 9.40 11.13 13.84 10.95 0.00 1.41 1.18 6 L C C 109.47 4.22 8.82 14.69 102.32 63.10 -85.08 9.71 76.23 1.95 21.82 48.50 12.30 15.60 11.43 10.08 0.00 0.98 1.10 7 Q C C 129.31 2.55 9.76 13.89 105.27 80.92 -87.94 45.62 85.23 1.41 13.36 51.52 20.58 13.46 6.82 6.07 0.00 0.60 0.95 8 R C C 159.17 2.44 9.96 14.13 116.83 85.52 -96.91 132.69 98.24 0.81 0.95 52.91 44.32 1.13 0.56 0.33 0.00 0.29 0.47 9 P C C 89.50 4.27 9.12 15.45 114.60 -108.30 -69.34 146.93 97.75 0.48 1.77 87.48 8.65 1.71 1.01 0.65 0.00 0.21 0.29 10 P C C 87.70 4.70 8.94 15.53 112.63 -105.66 -67.46 149.65 91.71 0.83 7.45 80.17 6.46 5.44 2.98 4.07 0.00 0.43 0.45 11 Q C C 142.13 1.84 10.35 13.38 108.88 -109.40 -79.43 126.00 86.09 2.55 11.35 69.19 9.54 7.40 4.14 7.11 0.00 1.45 1.18 12 R C C 145.94 4.76 8.62 15.21 115.42 -146.97 -97.82 131.78 82.25 5.60 12.16 62.51 11.53 8.25 5.32 6.77 0.00 3.44 2.19 13 K C C 149.91 2.35 11.11 14.95 112.20 -161.07 -98.03 108.96 81.71 7.13 11.16 56.74 17.27 7.75 6.36 4.87 0.01 4.16 2.84 14 Y C C 119.32 6.56 8.80 17.02 117.42 -143.71 -103.34 130.50 88.30 4.01 7.69 60.12 25.87 2.31 6.99 1.28 0.00 1.97 1.46 15 P C C 77.72 4.63 12.13 18.41 108.05 -113.84 -67.44 136.36 74.28 2.13 23.59 62.37 5.32 4.76 23.87 1.85 0.00 1.26 0.58 16 I H H 98.16 5.12 12.12 18.47 99.92 -134.74 -71.27 -34.03 31.28 1.97 66.76 22.75 4.67 5.43 62.44 3.01 0.01 1.21 0.47 17 Y H H 117.67 6.08 13.13 20.31 96.02 57.96 -69.68 -33.87 19.90 3.95 76.15 13.94 3.02 4.51 70.43 3.98 0.02 3.59 0.51 18 T H H 64.85 6.27 13.47 21.02 94.69 54.93 -68.75 -37.62 12.90 4.34 82.76 8.88 1.94 3.32 77.03 4.03 0.02 4.38 0.39 19 V H H 77.85 4.72 15.07 20.68 93.47 52.21 -67.31 -39.96 9.19 3.64 87.17 5.56 1.43 2.96 82.84 3.13 0.03 3.76 0.29 20 R H H 115.29 5.66 15.89 22.35 92.88 51.71 -66.89 -39.72 9.83 4.04 86.13 5.25 1.49 3.70 82.53 2.53 0.06 4.09 0.35 21 W H H 98.61 8.80 15.25 25.03 92.75 50.65 -66.01 -41.56 7.19 2.70 90.11 3.62 1.13 3.02 87.10 2.15 0.05 2.66 0.27 22 L H H 76.83 6.26 16.70 23.92 92.40 51.33 -64.88 -41.30 5.45 1.39 93.16 2.61 0.80 2.43 90.32 2.29 0.03 1.37 0.15 23 A H H 51.87 4.66 17.08 22.57 92.32 50.85 -65.05 -40.46 6.65 1.07 92.28 2.60 0.91 3.55 89.18 2.58 0.04 1.01 0.15 24 V H H 60.27 7.10 16.13 24.39 92.73 49.27 -66.37 -40.80 7.22 0.92 91.86 2.67 1.11 3.93 88.16 3.13 0.05 0.80 0.15 25 H H H 83.17 8.58 15.33 24.89 92.37 51.42 -65.89 -37.81 9.46 0.79 89.75 3.32 1.39 5.19 84.11 5.14 0.05 0.63 0.16 26 T H H 74.24 5.40 15.64 22.08 92.88 53.27 -68.85 -32.67 17.05 0.70 82.25 3.65 2.00 11.44 74.92 7.16 0.13 0.48 0.21 27 L H H 103.55 4.47 14.85 20.16 95.14 53.51 -76.59 -20.64 29.03 0.88 70.09 4.74 3.85 20.99 63.22 6.09 0.23 0.49 0.39 28 G H H 41.96 6.42 13.34 20.80 99.27 54.43 -88.32 -6.98 48.32 1.59 50.09 11.65 8.74 29.17 44.51 4.27 0.17 0.79 0.72 29 V C C 71.34 7.49 10.91 20.01 114.49 98.13 -94.40 127.72 65.35 2.92 31.73 35.14 22.77 7.26 29.62 2.79 0.04 1.34 1.03 30 P C C 83.35 4.27 13.14 18.79 107.21 -113.60 -69.59 130.72 57.95 3.06 38.99 42.62 6.30 7.67 36.43 4.19 0.00 2.11 0.67 31 L H H 102.75 5.24 11.56 18.15 100.70 -124.64 -77.28 -22.49 31.40 10.31 58.29 18.89 6.30 7.95 49.71 6.65 0.11 9.16 1.22 32 V H H 95.21 3.49 12.88 17.41 97.80 66.28 -73.16 -35.03 19.86 13.25 66.88 12.02 3.80 5.34 59.21 5.92 0.10 12.66 0.95 33 W H H 143.08 4.60 12.85 18.61 96.32 56.67 -70.51 -36.43 18.12 13.34 68.54 11.21 3.08 4.79 60.98 5.77 0.08 13.28 0.81 34 F H H 101.58 7.00 12.52 20.62 95.93 52.87 -70.38 -37.56 17.69 10.66 71.65 10.93 3.01 4.98 65.06 4.59 0.08 10.57 0.77 35 L H H 98.23 4.03 14.44 19.48 94.02 52.44 -67.33 -37.25 15.05 4.70 80.25 7.25 2.66 6.24 73.75 4.78 0.12 4.67 0.51 36 G H H 39.28 3.83 15.27 19.98 94.00 51.04 -67.34 -35.59 20.06 2.65 77.29 7.99 3.43 9.76 70.87 5.02 0.12 2.32 0.49 37 A H H 45.10 7.21 14.07 22.71 94.08 52.78 -69.31 -38.07 20.76 2.14 77.11 9.41 3.64 9.15 70.48 5.03 0.10 1.70 0.49 38 I H H 77.60 6.83 14.75 22.74 93.86 52.38 -66.67 -40.89 16.76 2.28 80.96 9.28 3.44 5.72 74.60 4.58 0.07 1.83 0.47 39 A H H 59.32 3.65 16.53 20.84 93.14 52.00 -65.45 -40.01 19.03 1.85 79.12 10.78 2.92 6.41 73.27 4.70 0.04 1.50 0.38 40 S H H 56.65 4.74 15.42 21.24 93.41 51.26 -68.01 -36.98 23.85 1.25 74.90 11.36 3.06 10.22 69.11 4.98 0.04 0.89 0.33 41 M H H 85.22 6.98 14.19 22.27 94.23 56.30 -68.73 -35.47 17.79 0.84 81.37 10.52 2.89 5.78 74.81 5.17 0.02 0.56 0.24 42 Q H H 101.00 3.71 15.67 20.26 93.80 61.83 -64.37 -37.31 14.40 0.97 84.63 7.89 2.31 5.37 78.37 5.05 0.03 0.75 0.22 43 F H H 100.09 5.25 14.51 20.90 93.41 54.65 -66.46 -39.75 12.91 1.55 85.54 7.20 2.15 4.87 78.45 5.65 0.04 1.34 0.29 44 I H H 78.13 6.78 13.52 21.54 93.75 50.79 -67.99 -39.15 12.31 1.57 86.13 6.89 2.26 4.49 79.29 5.41 0.05 1.30 0.31 45 N H H 97.44 3.13 14.91 18.85 93.58 52.71 -69.57 -33.32 22.52 1.86 75.62 10.48 3.93 9.44 69.47 4.81 0.08 1.31 0.48 46 R H H 135.54 3.50 14.03 18.47 96.08 51.55 -79.63 -20.78 36.36 1.62 62.01 16.12 6.19 15.42 56.38 4.32 0.07 0.94 0.56 47 M H H 87.58 7.64 11.35 20.21 99.22 70.39 -73.59 -31.08 35.28 1.22 63.50 18.46 8.20 10.32 57.90 4.01 0.05 0.60 0.48 48 D H H 94.85 3.35 14.07 18.40 96.75 59.90 -71.53 -26.37 36.72 0.99 62.28 19.48 6.24 12.25 54.28 6.80 0.03 0.54 0.38 49 A H H 67.81 3.84 13.77 18.64 95.48 56.40 -71.79 -28.93 34.58 1.04 64.38 13.53 6.39 15.86 54.25 8.88 0.07 0.59 0.42 50 Y H H 111.64 7.74 12.13 20.87 98.55 54.84 -80.77 -20.11 34.48 1.58 63.93 14.53 7.64 14.34 52.22 9.65 0.11 0.89 0.63 51 E H H 110.04 5.27 13.62 20.30 95.64 69.32 -66.43 -35.59 36.07 1.93 61.99 18.25 7.26 12.15 48.81 11.64 0.06 1.12 0.70 52 A H H 65.45 4.44 14.24 19.72 95.69 56.07 -70.25 -28.13 44.08 2.33 53.59 18.52 7.81 18.76 41.53 11.01 0.07 1.51 0.78 53 V H H 74.77 7.19 14.03 22.28 98.35 51.40 -81.03 -23.20 43.58 2.91 53.51 19.10 9.62 16.80 42.23 9.32 0.09 1.89 0.94 54 A H H 47.44 8.66 12.97 22.91 99.97 66.91 -71.87 -32.94 42.45 1.45 56.11 23.79 10.25 10.23 47.54 6.83 0.03 0.82 0.50 55 P H H 78.04 5.35 14.86 21.30 95.13 50.36 -67.67 -32.76 39.25 1.28 59.47 21.43 5.71 12.97 50.39 8.25 0.03 0.80 0.41 56 T H H 77.39 4.28 15.09 20.25 95.36 54.85 -70.20 -36.24 28.26 3.26 68.48 14.46 5.54 10.23 55.80 10.68 0.11 2.36 0.82 57 M H H 87.68 7.87 13.96 22.74 96.06 54.68 -71.70 -35.38 26.71 7.04 66.25 14.19 5.42 9.49 54.33 9.32 0.21 5.67 1.36 58 I H H 82.39 8.86 12.87 22.56 97.75 52.11 -80.20 -23.85 30.64 8.85 60.52 15.34 6.32 11.70 49.09 8.48 0.33 6.87 1.87 59 A H H 74.03 4.04 14.04 19.38 98.96 57.73 -75.39 1.60 45.09 4.42 50.49 12.31 7.31 26.14 42.47 7.09 0.30 3.16 1.22 60 G C T 51.24 3.80 15.16 19.90 99.99 22.71 33.03 -0.97 65.68 1.71 32.61 15.16 11.59 39.31 26.49 5.73 0.08 0.93 0.71 61 I C C 71.36 11.25 10.69 22.45 112.49 96.53 -93.71 133.36 67.88 4.57 27.55 29.94 24.76 13.80 23.57 3.75 0.10 2.04 2.04 62 D C C 78.41 4.98 15.59 21.45 111.39 -109.00 -81.61 131.20 78.29 2.15 19.56 67.06 5.27 4.52 19.29 1.96 0.00 1.14 0.76 63 L H H 97.07 7.25 13.34 21.84 94.51 -137.17 -64.47 -32.25 16.54 0.47 82.99 7.01 3.13 7.71 76.69 4.95 0.06 0.26 0.21 64 R H H 139.93 3.37 16.82 20.74 92.71 56.16 -66.23 -39.60 10.64 0.55 88.82 2.87 1.60 6.69 82.29 5.89 0.09 0.38 0.18 65 L H H 62.68 8.77 15.87 25.58 92.76 49.54 -66.51 -39.99 6.46 0.31 93.23 1.85 0.92 3.88 85.46 7.52 0.04 0.24 0.08 66 A H H 30.82 12.16 14.40 27.41 92.27 53.64 -64.20 -40.00 3.37 0.09 96.54 0.78 0.37 2.09 89.38 7.30 0.01 0.06 0.02 67 L H H 90.51 5.09 18.61 24.26 92.71 51.56 -67.16 -37.52 6.02 0.10 93.88 0.56 0.41 4.74 84.88 9.28 0.05 0.07 0.03 68 V H H 72.35 6.79 18.75 25.74 94.32 48.10 -70.79 -37.33 13.88 0.15 85.97 0.64 0.71 12.53 77.77 8.09 0.11 0.08 0.05 69 L H H 50.36 13.61 17.74 31.18 94.74 49.09 -70.94 -34.95 11.55 0.11 88.34 0.76 0.93 9.96 85.27 2.89 0.07 0.04 0.06 70 A H H 38.70 10.47 18.13 29.31 92.24 62.35 -61.61 -43.68 1.32 0.00 98.68 0.37 0.11 0.60 98.55 0.36 0.00 0.00 0.00 71 P H H 63.79 5.55 20.59 26.57 92.15 50.31 -64.84 -39.65 0.49 0.00 99.51 0.11 0.03 0.28 99.25 0.33 0.00 0.00 0.00 72 I H H 60.27 10.51 19.74 30.40 92.31 49.93 -65.18 -42.01 0.13 0.00 99.87 0.02 0.01 0.08 99.70 0.20 0.00 0.00 0.00 73 L H H 48.09 13.65 19.29 32.78 91.77 50.24 -64.05 -42.53 0.09 0.00 99.91 0.01 0.00 0.05 99.88 0.04 0.00 0.00 0.00 74 F H H 96.10 6.80 21.60 28.53 92.01 49.22 -64.87 -41.77 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 75 S H H 42.38 7.08 20.63 28.37 92.00 50.86 -64.60 -41.56 0.23 0.00 99.77 0.02 0.01 0.18 99.76 0.03 0.00 0.00 0.00 76 V H H 36.18 13.32 19.24 32.82 92.24 49.25 -64.61 -42.93 0.33 0.00 99.67 0.02 0.01 0.30 99.64 0.03 0.00 0.00 0.00 77 V H H 46.28 11.46 19.43 31.23 91.77 49.46 -64.14 -42.90 0.64 0.00 99.36 0.04 0.04 0.55 99.30 0.07 0.00 0.00 0.00 78 W H H 117.86 4.88 20.84 25.88 91.87 49.07 -64.73 -41.76 1.24 0.00 98.76 0.09 0.08 1.05 98.37 0.39 0.01 0.00 0.00 79 N H H 50.90 7.67 17.72 26.70 92.08 49.73 -65.09 -41.41 2.08 0.01 97.91 0.16 0.15 1.76 97.26 0.64 0.01 0.01 0.00 80 V H H 37.11 11.29 14.61 27.15 92.28 49.09 -65.25 -41.38 2.42 0.02 97.56 0.20 0.22 1.99 96.47 1.08 0.02 0.01 0.01 81 I H H 91.44 6.10 15.57 22.54 93.19 48.86 -67.62 -38.46 5.07 0.04 94.89 0.33 0.39 4.41 93.36 1.45 0.03 0.02 0.02 82 F H H 143.21 2.59 15.45 18.43 94.80 45.94 -74.92 -31.88 17.45 0.08 82.47 0.86 1.23 15.36 80.95 1.47 0.05 0.03 0.05 83 F H H 124.39 4.48 13.00 18.55 99.86 36.95 -100.12 -5.38 43.41 0.38 56.21 3.77 7.02 32.05 55.05 1.62 0.10 0.12 0.27 84 G C C 47.99 3.51 15.80 20.06 106.10 -105.42 84.60 10.13 97.09 0.92 1.99 39.67 23.19 34.54 1.06 0.67 0.00 0.41 0.46 85 G C C 31.91 8.88 16.48 25.93 128.04 -53.21 113.41 170.77 98.73 1.21 0.05 79.47 19.10 0.35 0.02 0.03 0.00 0.67 0.36 86 P C C 35.22 16.43 12.68 28.91 116.17 -93.43 -71.93 150.31 97.65 2.27 0.08 95.04 2.74 0.15 0.04 0.03 0.00 1.11 0.89 87 T C C 59.34 4.93 20.72 25.73 122.89 -128.92 -88.10 163.39 89.75 9.97 0.28 88.47 1.62 0.10 0.24 0.04 0.00 2.24 7.30 88 L H H 80.86 11.01 13.77 25.54 91.89 -108.80 -59.19 -37.91 1.21 0.01 98.78 0.29 0.18 0.64 98.41 0.47 0.00 0.01 0.00 89 Q H H 120.59 1.52 18.65 19.07 91.44 53.82 -64.07 -40.51 0.47 0.00 99.52 0.07 0.03 0.31 99.09 0.49 0.00 0.00 0.00 90 E H H 69.50 7.18 16.74 25.29 91.96 49.55 -65.33 -40.38 0.19 0.00 99.80 0.03 0.01 0.12 99.39 0.45 0.00 0.00 0.00 91 L H H 24.27 16.74 13.40 30.67 91.91 50.78 -64.11 -42.17 0.14 0.00 99.86 0.02 0.01 0.08 99.68 0.21 0.00 0.00 0.00 92 Q H H 83.88 5.06 17.66 23.62 91.43 51.22 -63.13 -40.71 0.37 0.00 99.63 0.06 0.02 0.23 99.53 0.16 0.00 0.00 0.00 93 E H H 100.56 2.09 18.42 19.74 91.66 50.80 -64.50 -40.93 0.88 0.00 99.12 0.12 0.05 0.62 98.88 0.33 0.00 0.00 0.00 94 V H H 38.38 9.84 13.87 25.41 92.07 50.34 -64.98 -41.24 1.93 0.01 98.06 0.26 0.12 1.36 97.63 0.62 0.00 0.00 0.00 95 L H H 65.42 9.34 12.54 23.04 92.16 50.80 -66.87 -35.97 7.18 0.03 92.79 0.92 0.56 5.17 92.46 0.86 0.00 0.01 0.01 96 Q H H 130.22 1.63 13.43 15.37 93.16 54.10 -70.39 -25.57 31.50 0.25 68.26 5.41 3.27 22.29 67.51 1.25 0.03 0.08 0.15 97 R C H 157.27 2.37 10.65 14.26 98.83 58.38 -82.35 -8.45 63.65 0.56 35.79 31.12 1.95 27.81 37.26 1.32 0.00 0.19 0.35 98 E C C 118.81 5.74 10.51 17.79 106.01 108.15 -82.74 80.50 99.88 0.04 0.08 99.64 0.13 0.14 0.06 0.00 0.00 0.02 0.01