# 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 110.84 5.92 11.35 18.74 115.56 -165.90 -94.18 132.02 99.39 0.20 0.41 99.23 0.14 0.16 0.32 0.02 0.00 0.09 0.04 1 A C C 75.73 3.53 9.74 14.90 110.09 -131.71 -81.62 135.73 61.52 2.45 36.03 56.04 1.35 4.78 33.16 2.47 0.00 1.40 0.80 2 L C H 120.49 2.90 8.43 13.10 110.80 -142.00 -88.28 111.39 49.07 3.05 47.88 35.82 7.08 6.96 43.11 4.29 0.02 1.91 0.80 3 R H H 160.00 2.95 9.62 14.27 110.58 -122.51 -90.07 111.79 41.93 3.64 54.43 30.53 6.31 6.46 47.59 5.70 0.03 2.51 0.87 4 A H H 72.18 4.44 9.64 15.80 111.21 -131.41 -86.17 126.44 40.02 3.48 56.50 29.87 5.70 6.06 49.17 5.98 0.02 2.39 0.81 5 V H H 96.46 4.72 10.06 16.50 112.83 -150.36 -94.12 125.68 39.61 4.11 56.28 27.25 6.52 7.53 49.55 5.34 0.03 2.76 1.01 6 S C H 75.17 4.25 10.54 16.46 112.02 -141.96 -88.43 130.38 49.62 3.23 47.14 30.66 8.70 11.01 42.06 4.66 0.03 1.99 0.89 7 A C H 76.08 4.71 10.46 16.79 108.28 -135.01 -87.90 108.60 59.51 2.60 37.89 33.28 13.89 12.48 33.92 4.16 0.03 1.41 0.83 8 K C C 139.02 3.57 11.41 16.75 112.44 -148.68 -91.05 126.52 65.96 2.57 31.47 39.37 17.93 8.53 27.53 4.40 0.02 1.38 0.84 9 S C C 73.91 5.04 11.58 18.30 112.16 -111.42 -79.87 133.35 70.99 3.09 25.92 52.87 7.59 9.73 21.22 5.58 0.00 2.04 0.97 10 A C C 72.32 5.67 11.19 18.43 109.85 -138.53 -87.66 117.77 72.81 5.33 21.86 47.74 12.98 11.67 17.07 5.43 0.02 3.35 1.74 11 V C C 83.88 7.73 10.23 19.39 116.52 -140.74 -97.60 131.36 75.90 7.89 16.21 50.84 18.36 6.37 13.76 3.10 0.03 4.04 3.50 12 R C C 151.85 3.66 12.95 18.42 116.81 -146.08 -95.14 135.09 88.52 2.60 8.87 71.54 14.18 2.38 8.21 1.32 0.00 1.47 0.89 13 P C C 84.89 7.13 10.32 18.96 111.49 -110.15 -67.47 143.18 80.97 1.66 17.37 70.46 4.93 5.30 14.53 3.21 0.00 1.02 0.54 14 T C C 97.71 3.59 11.44 16.77 109.60 -152.40 -91.98 126.76 73.85 1.71 24.44 57.08 9.75 6.53 20.28 4.74 0.00 0.91 0.71 15 V C C 101.23 3.96 10.97 16.61 112.76 -116.50 -92.30 131.24 60.35 2.50 37.14 42.38 10.95 7.38 29.69 7.28 0.01 1.44 0.87 16 A C C 72.33 5.31 10.72 17.66 108.78 -130.17 -81.32 122.50 59.63 2.57 37.80 42.66 8.75 8.13 29.76 8.27 0.01 1.60 0.81 17 R C C 149.05 5.07 11.20 17.89 109.57 -143.15 -89.98 110.81 55.65 4.33 40.01 38.93 8.17 8.68 29.51 10.53 0.02 2.74 1.43 18 A C C 69.80 5.73 11.45 18.70 110.84 75.36 -85.85 131.45 60.38 4.44 35.18 39.39 10.20 10.73 25.25 10.17 0.03 2.89 1.35 19 S C C 78.82 3.99 13.03 18.55 109.65 -116.21 -85.75 125.06 68.76 5.80 25.44 45.17 10.35 12.82 18.16 7.81 0.02 3.82 1.85 20 V C C 76.35 10.24 9.75 20.71 115.12 -149.11 -96.69 129.96 76.81 6.98 16.20 52.63 18.23 6.12 13.19 3.32 0.03 3.88 2.59 21 K C C 138.75 3.17 14.56 19.25 117.53 -148.68 -97.68 133.58 87.08 3.84 9.08 67.85 16.72 2.31 8.26 1.49 0.00 2.34 1.02 22 P C C 79.24 8.26 12.07 21.51 111.66 -109.97 -68.49 142.11 75.80 5.23 18.97 66.69 4.38 4.81 13.25 5.71 0.00 3.64 1.51 23 V C C 89.00 7.65 11.20 20.10 110.36 -145.22 -87.93 126.39 62.81 7.73 29.46 46.82 7.88 8.04 17.12 12.55 0.02 5.26 2.31 24 A C C 76.90 4.03 11.96 17.65 108.67 -121.34 -81.61 126.46 61.46 7.80 30.75 39.69 10.46 11.41 15.70 15.21 0.04 5.35 2.15 25 A C C 83.67 2.96 13.16 17.54 108.85 -108.08 -85.04 113.99 68.22 6.21 25.57 42.92 12.16 13.50 11.87 13.55 0.03 3.94 2.04 26 L C C 68.36 12.83 8.26 20.91 116.94 119.84 -88.51 140.06 86.11 4.35 9.54 56.24 24.95 5.00 5.86 3.54 0.00 1.88 2.53 27 K C C 120.90 2.79 15.38 18.58 115.11 -108.93 -75.77 147.62 98.12 0.35 1.53 92.34 5.31 0.44 1.47 0.14 0.00 0.13 0.17 28 P H H 97.70 3.77 12.28 17.81 92.60 -113.67 -57.37 -38.21 6.91 0.04 93.06 2.44 0.84 3.55 90.44 2.70 0.00 0.02 0.01 29 A H H 72.50 2.17 15.67 17.83 92.25 53.70 -64.96 -38.24 4.52 0.03 95.46 1.15 0.50 2.74 92.43 3.15 0.00 0.02 0.01 30 Q H H 67.20 9.66 14.95 25.57 92.43 49.74 -66.89 -38.82 2.44 0.04 97.52 1.08 0.32 1.08 94.62 2.87 0.00 0.03 0.01 31 K H H 73.69 12.85 15.64 28.60 91.61 52.82 -63.11 -41.47 1.50 0.02 98.48 0.70 0.18 0.60 97.79 0.72 0.00 0.01 0.00 32 M H H 104.46 3.53 21.48 24.77 91.76 50.29 -64.66 -40.78 1.51 0.02 98.48 0.53 0.15 0.72 98.16 0.43 0.00 0.01 0.00 33 A H H 49.89 5.59 21.52 27.27 91.66 50.53 -64.46 -41.57 2.09 0.02 97.89 0.65 0.20 1.11 97.56 0.46 0.00 0.01 0.00 34 L H H 34.96 16.24 18.62 34.68 91.94 50.61 -64.37 -41.26 2.60 0.02 97.38 0.73 0.25 1.42 97.15 0.43 0.00 0.01 0.00 35 A H H 40.28 10.94 21.65 32.75 91.77 51.39 -63.56 -41.25 2.24 0.01 97.75 0.63 0.22 1.20 97.62 0.32 0.00 0.00 0.00 36 G H H 35.92 3.92 25.19 28.75 91.80 50.34 -63.91 -42.12 2.86 0.02 97.13 0.79 0.28 1.60 96.97 0.34 0.00 0.01 0.01 37 A H H 32.80 11.70 22.64 34.59 91.90 50.19 -64.63 -42.05 1.55 0.01 98.44 0.50 0.16 0.76 98.35 0.22 0.00 0.00 0.00 38 A H H 19.85 17.95 19.68 37.25 91.92 51.56 -63.94 -41.52 0.94 0.01 99.06 0.27 0.09 0.44 99.04 0.15 0.00 0.00 0.00 39 S H H 54.29 6.07 24.86 31.11 91.74 50.99 -63.74 -41.56 1.10 0.01 98.89 0.29 0.09 0.56 98.85 0.19 0.00 0.00 0.00 40 V H H 73.80 5.08 24.98 30.07 91.47 49.78 -64.46 -42.27 1.07 0.01 98.91 0.28 0.10 0.56 98.81 0.23 0.00 0.01 0.00 41 A H H 18.31 16.73 18.86 35.63 92.07 50.46 -64.74 -41.90 1.46 0.03 98.52 0.41 0.15 0.77 98.27 0.38 0.00 0.01 0.00 42 L H H 61.20 12.23 20.62 32.80 91.68 50.73 -63.38 -41.38 3.74 0.06 96.20 1.02 0.35 2.20 95.39 0.98 0.01 0.03 0.01 43 L H H 97.33 3.07 23.28 25.61 91.63 50.09 -65.11 -40.48 8.05 0.09 91.86 1.84 0.87 5.19 90.43 1.57 0.02 0.05 0.03 44 A H H 40.57 8.53 18.19 27.84 92.21 51.08 -67.22 -36.93 20.44 0.27 79.29 8.26 3.07 9.70 76.20 2.50 0.02 0.12 0.13 45 A H H 31.64 15.53 13.29 28.61 93.24 58.09 -67.83 -31.02 36.08 0.66 63.27 17.71 4.95 14.80 57.87 4.01 0.02 0.32 0.32 46 S H H 79.87 3.22 17.33 21.16 94.12 57.41 -72.89 -23.19 47.44 0.93 51.63 18.27 8.44 22.04 45.98 4.32 0.05 0.42 0.48 47 S C H 76.98 2.82 15.69 18.92 103.25 52.93 -87.98 -6.18 62.87 0.94 36.19 20.01 18.56 24.83 31.89 3.75 0.04 0.34 0.57 48 S C C 64.70 7.08 13.50 21.50 107.07 -13.74 -98.74 75.85 87.57 0.77 11.66 54.45 20.74 11.66 10.28 2.10 0.00 0.30 0.47 49 S C C 58.81 7.84 13.15 22.14 102.49 135.38 -72.84 -19.47 57.68 0.79 41.53 41.90 8.53 6.37 39.96 2.56 0.00 0.28 0.40 50 A H H 75.75 2.20 17.42 19.31 93.70 54.34 -64.33 -38.42 18.87 0.25 80.88 8.15 4.08 7.61 76.51 3.40 0.02 0.11 0.11 51 E H H 91.05 6.01 18.66 25.39 93.05 51.80 -66.39 -39.10 11.24 0.25 88.50 5.64 1.70 4.47 84.77 3.16 0.02 0.15 0.09 52 A H H 13.56 17.85 13.94 32.11 92.32 52.14 -64.30 -40.71 4.58 0.07 95.35 2.47 0.63 1.67 93.25 1.90 0.00 0.04 0.03 53 S H H 49.57 7.85 20.13 28.59 91.75 52.76 -63.64 -40.29 2.49 0.04 97.47 1.20 0.36 1.03 96.65 0.72 0.00 0.02 0.02 54 Q H H 104.12 2.66 23.90 25.61 91.96 50.48 -65.39 -40.62 1.74 0.03 98.23 0.64 0.23 0.85 97.87 0.38 0.00 0.01 0.01 55 V H H 29.01 14.53 19.98 34.84 92.08 49.60 -64.40 -43.43 1.17 0.02 98.81 0.39 0.14 0.62 98.60 0.24 0.00 0.01 0.00 56 I H H 30.06 18.66 18.90 37.06 91.79 49.93 -63.23 -42.70 0.65 0.01 99.34 0.21 0.07 0.32 99.25 0.14 0.00 0.01 0.00 57 A H H 55.46 4.86 23.49 28.38 91.45 50.62 -63.75 -41.28 0.92 0.01 99.07 0.25 0.09 0.51 98.99 0.16 0.00 0.01 0.00 58 T H H 66.35 5.34 23.80 29.20 91.93 49.30 -65.44 -41.44 1.32 0.01 98.66 0.29 0.14 0.83 98.52 0.21 0.00 0.01 0.00 59 V H H 20.28 18.37 18.88 37.21 92.30 49.24 -65.13 -42.85 1.22 0.01 98.77 0.23 0.12 0.77 98.57 0.30 0.00 0.00 0.00 60 A H H 29.25 13.12 19.37 32.89 91.80 50.95 -63.53 -41.52 2.11 0.02 97.88 0.35 0.19 1.41 97.28 0.75 0.00 0.01 0.00 61 S H H 62.64 2.86 22.88 24.95 91.79 50.87 -64.92 -39.63 5.93 0.03 94.04 0.73 0.49 4.46 92.28 2.00 0.01 0.01 0.01 62 A H H 42.51 9.70 17.75 28.41 92.17 52.25 -68.04 -31.15 11.86 0.06 88.08 1.13 1.02 9.55 85.76 2.46 0.03 0.03 0.03 63 A H H 27.67 16.92 13.25 29.94 95.74 54.58 -82.23 -12.46 33.61 0.39 66.00 4.96 4.10 24.77 62.72 2.95 0.09 0.16 0.24 64 Q C T 120.50 4.91 16.12 22.44 104.47 106.78 -72.20 83.95 76.28 0.70 23.02 8.00 9.61 56.55 22.09 2.94 0.03 0.30 0.49 65 G C T 57.38 2.52 16.22 19.37 99.88 12.30 81.62 2.19 96.18 0.40 3.42 20.83 13.53 62.26 1.75 1.23 0.00 0.20 0.19 66 Y C C 100.34 10.22 10.56 21.74 115.84 133.64 -92.78 131.65 97.38 1.49 1.14 76.96 18.23 2.05 0.38 0.73 0.00 0.63 1.02 67 P C C 84.92 5.40 14.89 21.52 107.19 -114.41 -68.41 139.36 95.54 1.50 2.95 55.04 18.62 21.57 0.50 2.82 0.00 0.81 0.64 68 F C C 131.71 7.06 13.86 22.10 106.18 -121.95 -85.32 89.44 87.37 8.43 4.21 42.21 23.28 22.39 0.79 3.60 0.00 4.41 3.30 69 V C C 57.25 11.49 12.48 24.85 118.94 124.88 -106.75 132.09 84.10 14.09 1.81 50.39 31.80 1.99 0.84 0.99 0.00 6.08 7.89 70 P C C 63.99 6.08 17.23 24.39 114.57 -113.64 -71.56 150.03 95.34 2.51 2.15 92.55 2.54 0.85 0.74 1.04 0.00 1.56 0.71 71 P H G 66.17 12.60 12.49 25.25 93.99 -113.01 -61.65 -30.03 19.36 0.31 80.33 4.82 2.65 11.19 4.36 76.72 0.00 0.20 0.06 72 S H G 76.59 4.29 16.50 21.84 93.26 67.43 -70.37 -19.23 18.31 0.15 81.53 1.94 1.98 13.26 5.24 77.45 0.00 0.09 0.04 73 W H G 125.74 7.72 16.10 24.72 97.96 53.16 -91.74 -7.32 16.49 0.19 83.32 3.56 2.48 9.98 8.06 75.76 0.00 0.11 0.05 74 A H H 26.93 16.20 14.05 30.04 96.58 87.29 -67.68 -36.86 37.29 0.45 62.26 20.70 9.77 7.79 46.55 14.75 0.01 0.19 0.24 75 P H H 49.33 12.31 16.48 29.05 93.87 51.60 -65.72 -33.26 14.48 0.17 85.35 4.32 1.71 7.15 58.17 28.48 0.01 0.10 0.06 76 S H H 61.22 7.42 18.70 26.36 93.56 53.38 -68.04 -32.84 6.90 0.06 93.04 0.92 0.59 4.41 61.28 32.74 0.00 0.04 0.01 77 V H H 68.78 8.99 19.02 28.23 96.19 46.68 -74.64 -37.30 12.34 0.07 87.59 0.77 0.91 9.23 57.56 31.45 0.02 0.04 0.03 78 F H H 52.71 15.85 17.51 32.89 96.98 43.70 -85.77 -26.33 22.80 0.12 77.08 1.42 1.87 18.24 58.45 19.80 0.09 0.06 0.08 79 V H H 40.36 15.16 17.58 32.60 92.46 63.00 -61.59 -44.22 8.78 0.12 91.10 2.57 1.78 4.59 84.39 6.52 0.02 0.06 0.06 80 P H H 60.72 7.56 20.21 28.26 92.05 50.12 -64.36 -39.50 6.52 0.10 93.38 1.21 0.60 4.32 85.63 8.11 0.03 0.07 0.03 81 L H H 68.50 8.46 21.06 29.80 92.96 48.60 -68.93 -40.37 4.11 0.08 95.80 0.67 0.42 2.79 87.76 8.26 0.03 0.06 0.03 82 T H H 31.82 14.99 18.63 33.52 92.84 48.18 -67.54 -40.60 3.23 0.05 96.72 0.59 0.38 2.18 92.27 4.52 0.01 0.03 0.01 83 G H H 21.88 12.94 17.68 30.91 92.55 51.96 -66.10 -37.42 13.14 0.04 86.81 0.59 0.60 12.21 81.04 5.48 0.03 0.02 0.02 84 L H H 91.21 5.70 20.31 26.30 94.05 46.91 -72.04 -34.51 31.60 0.04 68.36 0.51 1.15 30.40 63.28 4.56 0.05 0.02 0.04 85 V H H 66.21 7.65 19.90 28.04 96.95 40.95 -78.96 -38.16 13.35 0.04 86.62 0.48 1.16 11.98 84.78 1.50 0.06 0.01 0.03 86 L H H 51.24 12.12 18.66 31.11 92.80 53.25 -64.66 -43.64 2.66 0.00 97.34 1.03 0.40 0.96 97.29 0.33 0.00 0.00 0.00 87 P H H 47.96 9.94 18.63 29.24 92.11 50.59 -63.84 -40.77 0.71 0.00 99.28 0.24 0.05 0.31 99.22 0.17 0.00 0.00 0.00 88 A H H 52.24 5.17 20.69 26.20 92.01 50.69 -64.84 -41.67 0.07 0.00 99.93 0.01 0.00 0.04 99.90 0.06 0.00 0.00 0.00 89 I H H 75.89 6.23 20.97 27.66 92.28 48.81 -65.26 -41.89 0.03 0.00 99.97 0.00 0.00 0.01 99.97 0.01 0.00 0.00 0.00 90 A H H 31.18 10.73 18.18 29.94 91.95 50.05 -63.97 -42.37 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 91 M H H 79.82 7.86 19.61 27.72 91.85 49.86 -64.42 -41.64 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 92 A H H 51.05 4.29 19.73 24.41 91.85 50.76 -64.02 -41.96 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 93 T H H 59.82 5.80 19.30 25.82 92.10 49.91 -65.29 -41.26 0.24 0.00 99.76 0.01 0.01 0.19 99.77 0.03 0.00 0.00 0.00 94 L H H 58.87 9.17 17.16 27.07 91.72 50.69 -64.20 -41.56 0.24 0.00 99.76 0.01 0.01 0.17 99.78 0.03 0.00 0.00 0.00 95 F H H 96.90 5.47 17.67 23.82 91.67 51.07 -64.39 -41.44 0.27 0.00 99.73 0.02 0.01 0.18 99.72 0.06 0.00 0.00 0.00 96 V H H 72.83 3.16 17.93 21.31 91.69 50.27 -64.37 -42.02 0.32 0.00 99.68 0.04 0.02 0.22 99.64 0.09 0.00 0.00 0.00 97 Y H H 96.23 5.13 16.40 22.52 92.20 49.40 -64.73 -41.44 0.65 0.01 99.34 0.09 0.04 0.44 99.24 0.18 0.00 0.00 0.00 98 I H H 68.83 6.49 14.34 21.94 92.15 49.31 -65.08 -41.23 1.58 0.03 98.38 0.32 0.14 1.01 98.19 0.30 0.00 0.02 0.01 99 E H H 105.82 3.19 14.49 18.62 92.09 50.22 -66.15 -38.20 4.73 0.06 95.21 0.91 0.50 3.10 94.87 0.55 0.01 0.03 0.02 100 K H H 129.27 2.17 14.25 16.80 93.69 50.45 -69.63 -33.36 16.64 0.09 83.27 2.34 1.92 11.98 82.65 1.01 0.02 0.03 0.04 101 E H H 113.12 3.84 12.68 17.38 96.77 50.65 -78.50 -23.52 35.12 0.29 64.60 8.47 6.86 19.98 62.97 1.43 0.03 0.09 0.17 102 A C H 61.74 5.08 10.10 16.51 102.10 75.25 -75.88 -15.54 60.00 0.81 39.19 30.57 17.39 13.26 31.75 6.21 0.02 0.30 0.50 103 P C C 101.00 2.50 9.84 13.70 99.74 54.87 -72.95 -17.01 65.06 0.83 34.11 32.42 8.97 24.39 24.06 9.23 0.01 0.39 0.52 104 S C C 89.87 1.55 9.19 11.80 102.63 57.77 -85.84 7.24 75.28 0.54 24.18 51.96 2.55 22.60 16.46 5.78 0.00 0.28 0.36 105 S C C 80.41 3.29 10.13 15.05 107.41 86.59 -86.09 70.82 99.91 0.03 0.06 99.68 0.14 0.13 0.03 0.01 0.00 0.01 0.01