# 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 111.24 6.25 12.13 19.75 114.98 -161.33 -96.05 126.91 99.79 0.16 0.05 99.74 0.10 0.04 0.02 0.00 0.00 0.07 0.02 1 F C C 135.34 4.64 9.87 16.09 111.06 -157.67 -96.32 115.63 75.72 3.72 20.55 70.38 1.45 4.42 18.04 2.19 0.00 1.76 1.77 2 N C C 107.20 3.50 9.79 14.83 106.75 64.68 -91.41 34.11 59.04 2.09 38.87 43.23 6.91 8.50 34.94 4.54 0.01 1.15 0.73 3 T H H 94.00 3.58 10.08 15.18 100.28 68.13 -78.64 -22.62 40.24 1.40 58.36 27.07 6.02 8.58 49.50 7.55 0.01 0.82 0.45 4 A H H 69.54 4.28 10.37 16.21 100.07 68.38 -75.17 -22.38 24.48 1.38 74.15 15.82 4.02 6.38 61.82 10.65 0.02 0.93 0.36 5 L H H 101.58 4.91 10.66 17.06 100.58 62.05 -76.19 -20.03 17.12 1.51 81.37 10.03 3.07 5.50 67.21 12.69 0.04 1.13 0.32 6 L H H 102.03 4.88 11.11 17.42 105.63 55.30 -82.56 53.62 17.33 1.91 80.76 9.54 3.03 6.15 67.48 11.85 0.06 1.47 0.41 7 L H H 104.22 4.83 11.29 17.63 104.61 55.28 -81.74 3.72 24.34 1.79 73.87 12.54 4.34 9.17 62.29 9.88 0.07 1.19 0.52 8 A H H 71.30 5.17 11.03 17.73 101.65 63.05 -79.40 -11.34 40.43 1.90 57.68 20.21 6.77 15.02 49.61 6.54 0.06 1.08 0.71 9 Q C C 119.36 4.30 11.64 17.55 107.94 71.48 -89.67 90.78 64.46 2.16 33.38 37.41 10.03 16.85 29.47 4.25 0.02 1.04 0.93 10 A C C 73.73 4.87 11.63 18.13 110.31 -144.27 -89.66 118.95 87.49 2.11 10.40 62.54 14.79 9.39 8.90 2.30 0.00 1.01 1.07 11 S C C 69.07 5.83 11.74 19.28 116.91 -129.84 -98.13 134.24 98.31 1.26 0.42 74.38 23.33 0.77 0.25 0.16 0.00 0.59 0.52 12 P C C 76.39 7.80 11.56 20.75 112.06 -109.47 -68.20 147.68 97.80 1.12 1.08 89.90 5.67 2.41 0.35 0.58 0.00 0.72 0.37 13 T C C 101.23 3.62 13.03 18.35 110.69 -138.68 -91.77 115.03 91.83 5.92 2.26 77.90 9.90 3.60 0.90 1.31 0.00 3.27 3.13 14 T C C 74.05 8.11 10.33 19.66 115.12 142.21 -102.98 127.21 89.08 6.67 4.24 71.73 12.80 3.99 1.69 2.56 0.00 4.03 3.21 15 A C C 80.35 3.45 13.88 18.59 105.39 -128.06 -81.53 41.15 88.85 3.14 8.01 37.14 28.14 24.21 2.20 5.45 0.00 1.85 1.01 16 G C C 51.10 4.11 15.27 20.40 108.39 21.92 -83.66 86.80 90.80 1.99 7.21 44.57 23.36 23.12 2.32 4.73 0.00 1.08 0.81 17 W C C 82.10 16.84 9.03 24.52 114.44 -97.17 -88.50 129.21 88.64 2.77 8.58 72.71 12.00 3.38 5.98 2.57 0.00 1.07 2.30 18 S C C 54.56 3.93 17.64 21.94 124.11 -158.07 -92.53 165.70 91.14 0.82 8.04 85.75 3.94 1.21 7.80 0.50 0.00 0.25 0.55 19 L H H 117.01 4.34 13.88 19.69 92.43 -98.82 -61.25 -34.12 12.41 0.06 87.53 1.60 1.76 8.96 86.48 1.10 0.03 0.02 0.04 20 S H H 73.57 2.21 18.10 19.99 92.22 54.43 -65.71 -38.82 10.19 0.08 89.72 1.41 1.19 7.58 88.78 0.92 0.04 0.03 0.05 21 V H H 33.26 12.84 15.73 29.50 92.98 49.22 -66.53 -41.31 2.45 0.03 97.52 0.78 0.34 1.22 97.29 0.34 0.00 0.01 0.01 22 G H H 13.32 15.44 15.08 31.12 91.79 53.45 -62.92 -41.93 0.50 0.00 99.49 0.19 0.04 0.19 99.51 0.07 0.00 0.00 0.00 23 I H H 96.78 3.13 21.90 24.39 91.55 50.10 -64.44 -41.37 0.12 0.00 99.88 0.03 0.01 0.05 99.89 0.02 0.00 0.00 0.00 24 I H H 77.47 5.58 21.58 27.48 91.74 49.33 -64.54 -42.51 0.04 0.00 99.96 0.01 0.00 0.02 99.96 0.01 0.00 0.00 0.00 25 M H H 26.13 19.26 17.45 36.27 92.12 49.73 -64.50 -42.05 0.04 0.00 99.96 0.01 0.00 0.02 99.97 0.01 0.00 0.00 0.00 26 C H H 48.69 10.96 20.50 31.65 91.76 49.88 -63.75 -41.97 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 L H H 95.45 2.27 24.52 25.18 91.49 48.83 -64.53 -41.89 0.14 0.00 99.86 0.01 0.00 0.11 99.87 0.01 0.00 0.00 0.00 28 C H H 30.52 11.07 19.81 31.88 91.84 49.47 -64.97 -41.89 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.01 0.00 0.00 0.00 29 N H H 22.70 19.21 17.53 36.34 91.93 51.28 -64.32 -41.51 0.29 0.00 99.70 0.04 0.02 0.20 99.72 0.02 0.00 0.00 0.00 30 V H H 77.83 5.35 23.03 28.17 91.57 49.98 -64.38 -41.80 0.18 0.00 99.82 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 31 F H H 112.80 2.89 23.94 25.81 91.61 48.84 -64.37 -42.34 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 32 A H H 16.06 15.66 17.43 33.81 91.62 50.38 -64.20 -42.42 0.17 0.00 99.83 0.01 0.01 0.11 99.81 0.06 0.00 0.00 0.00 33 F H H 67.16 13.98 18.93 32.62 91.51 50.26 -63.37 -42.07 0.28 0.00 99.71 0.02 0.01 0.23 99.64 0.11 0.00 0.00 0.00 34 V H H 84.27 2.56 22.90 24.27 91.58 49.77 -63.89 -42.38 0.73 0.00 99.27 0.03 0.03 0.63 99.13 0.18 0.00 0.00 0.00 35 I H H 80.08 4.54 21.54 26.17 91.89 47.37 -64.91 -41.91 1.64 0.01 98.36 0.12 0.09 1.31 98.13 0.35 0.00 0.00 0.00 36 G H H 7.86 17.07 14.71 32.49 91.84 51.95 -63.89 -41.68 2.83 0.01 97.15 0.31 0.20 2.10 95.68 1.69 0.00 0.00 0.00 37 Y H H 98.73 9.94 18.09 28.50 91.93 51.61 -64.36 -39.47 4.29 0.02 95.69 0.35 0.29 3.47 92.26 3.61 0.01 0.01 0.00 38 F H H 131.10 1.94 20.70 21.35 92.30 51.60 -67.16 -37.19 6.91 0.03 93.06 0.54 0.51 5.68 89.23 3.98 0.02 0.01 0.01 39 A H H 44.05 8.44 16.14 25.78 93.50 51.35 -73.15 -27.65 18.46 0.16 81.39 1.85 1.90 15.03 77.95 3.03 0.09 0.07 0.10 40 I H H 41.92 17.14 11.41 27.74 101.05 56.55 -87.78 15.24 48.21 2.75 49.05 15.85 9.50 25.48 42.96 3.34 0.26 1.08 1.54 41 Q C C 122.99 3.76 16.24 21.30 96.22 102.52 -70.81 -26.81 75.21 4.06 20.74 33.29 22.56 19.53 17.86 2.98 0.09 1.73 1.95 42 K C C 130.39 3.21 15.65 19.73 107.99 40.12 -115.00 86.55 92.41 3.09 4.50 55.36 31.17 5.84 2.94 1.53 0.00 1.22 1.93 43 T C T 71.15 11.05 11.16 22.81 111.92 -162.43 -71.13 137.68 90.39 2.42 7.19 37.44 10.26 43.36 2.10 4.41 0.00 1.39 1.04 44 G C T 51.32 4.52 14.52 20.27 99.87 23.28 83.09 -0.23 91.98 1.96 6.07 29.59 16.00 46.65 1.20 4.62 0.00 1.00 0.94 45 K C C 127.75 4.49 13.03 19.18 108.13 116.01 -89.26 75.10 87.84 3.40 8.75 45.84 27.38 14.60 2.16 6.36 0.00 1.41 2.23 46 G C C 43.12 4.75 13.14 19.49 123.16 -5.18 100.54 -176.26 89.23 2.90 7.86 43.17 29.55 16.63 1.63 6.15 0.00 1.35 1.53 47 K C C 127.82 5.38 12.96 19.69 113.35 -41.89 -78.73 139.46 85.43 3.15 11.42 47.60 21.57 16.06 2.47 9.23 0.00 1.58 1.50 48 D C C 105.71 3.88 13.99 19.39 111.07 -121.50 -83.62 126.11 84.94 5.67 9.39 58.60 14.74 10.86 2.33 7.62 0.00 3.09 2.76 49 L C C 76.32 11.26 10.47 22.20 112.96 -142.74 -91.62 125.05 88.43 6.71 4.86 71.63 12.37 3.99 1.68 3.34 0.00 3.71 3.28 50 A C C 70.86 4.41 14.26 19.93 110.61 -132.98 -79.57 128.92 88.73 8.51 2.75 72.18 12.32 3.39 1.06 1.73 0.00 3.99 5.33 51 L C C 80.99 8.67 9.64 19.56 116.97 -155.58 -102.00 130.95 94.57 3.33 2.10 76.90 15.15 2.43 0.69 1.42 0.00 1.67 1.73 52 P C C 87.98 3.99 11.61 17.10 107.57 -113.08 -70.45 139.45 89.90 1.35 8.75 55.23 12.99 21.19 1.69 7.53 0.00 0.75 0.61 53 Q C C 131.56 2.82 10.41 14.82 106.69 -115.58 -84.92 97.75 87.31 1.99 10.70 53.20 12.65 21.07 2.35 8.60 0.00 0.99 1.14 54 L C C 103.25 4.65 8.54 14.82 108.94 92.22 -90.82 110.19 86.55 1.57 11.88 61.21 11.85 13.49 3.30 8.41 0.00 0.75 0.98 55 A C C 85.21 2.37 10.15 13.79 103.66 -98.81 -76.59 -8.17 85.80 1.36 12.84 53.59 13.03 19.19 3.73 8.93 0.00 0.65 0.87 56 S C C 75.07 3.70 9.64 14.93 106.21 58.87 -86.60 52.67 79.61 2.24 18.15 43.80 15.17 20.96 4.69 12.99 0.00 1.09 1.29 57 K C C 144.15 3.06 10.95 15.45 104.33 60.01 -84.94 28.24 74.40 3.68 21.91 38.46 15.65 20.88 5.67 15.55 0.01 1.79 1.99 58 K C C 123.72 5.15 12.84 19.53 111.91 131.57 -93.51 117.06 76.25 4.16 19.59 33.09 21.26 23.22 5.51 12.82 0.02 2.07 2.01 59 T C C 71.05 8.56 14.49 23.99 115.58 -136.01 -92.99 136.06 83.68 5.34 10.98 46.07 22.72 15.29 4.46 6.22 0.01 2.84 2.38 60 F C C 57.39 15.63 13.60 29.16 116.33 -125.28 -96.08 133.90 80.85 15.45 3.70 65.71 11.30 2.23 2.82 1.07 0.00 5.34 11.54 61 G C C 23.11 8.72 20.02 29.40 123.06 -138.71 -88.78 170.61 84.72 8.55 6.73 72.86 9.29 1.35 7.20 0.51 0.00 1.84 6.95 62 L H H 68.92 13.65 17.55 31.10 92.57 -97.28 -60.58 -38.62 1.55 0.01 98.44 0.38 0.25 0.74 98.43 0.20 0.00 0.00 0.00 63 P H H 63.18 7.76 20.97 29.25 91.62 53.80 -63.82 -40.06 0.53 0.00 99.46 0.09 0.04 0.32 99.35 0.20 0.00 0.00 0.00 64 E H H 62.39 11.37 21.13 32.70 92.06 50.08 -65.39 -40.33 0.11 0.00 99.88 0.01 0.01 0.07 99.76 0.15 0.00 0.00 0.00 65 L H H 31.35 17.82 19.99 37.25 91.72 49.72 -63.62 -42.47 0.09 0.00 99.91 0.01 0.00 0.05 99.86 0.08 0.00 0.00 0.00 66 L H H 58.56 12.23 23.42 35.38 91.58 49.52 -63.99 -41.99 0.19 0.00 99.81 0.02 0.01 0.12 99.78 0.07 0.00 0.00 0.00 67 A H H 41.94 8.00 24.48 32.69 91.38 50.30 -63.62 -41.97 0.56 0.00 99.43 0.05 0.03 0.41 99.32 0.19 0.00 0.00 0.00 68 T H H 31.21 14.37 23.50 37.64 91.67 49.08 -64.85 -41.60 1.87 0.01 98.12 0.13 0.09 1.53 97.76 0.47 0.00 0.00 0.00 69 M H H 41.15 17.49 23.63 40.00 91.99 50.51 -64.57 -41.49 4.87 0.02 95.11 0.38 0.29 3.90 94.67 0.73 0.01 0.01 0.01 70 S H H 37.71 11.42 24.73 35.96 91.92 50.59 -64.38 -41.70 8.48 0.06 91.46 1.06 0.69 6.42 90.99 0.77 0.02 0.02 0.03 71 F H H 84.89 7.90 27.13 35.37 91.74 49.08 -64.82 -41.92 3.21 0.02 96.77 0.46 0.31 2.27 96.44 0.49 0.01 0.00 0.01 72 G H H 10.39 17.31 22.19 39.27 91.59 51.50 -63.82 -42.41 1.63 0.01 98.37 0.27 0.14 1.08 98.06 0.45 0.00 0.00 0.00 73 H H H 49.06 17.52 23.18 39.35 91.74 50.55 -64.13 -41.68 1.41 0.01 98.57 0.24 0.11 1.00 98.13 0.50 0.00 0.01 0.00 74 I H H 76.44 8.62 26.12 34.50 91.61 48.84 -64.16 -42.45 0.86 0.01 99.13 0.13 0.06 0.59 98.86 0.34 0.00 0.00 0.00 75 L H H 66.23 8.40 26.47 35.23 91.72 48.78 -64.56 -42.33 0.94 0.00 99.06 0.11 0.06 0.66 98.89 0.28 0.00 0.00 0.00 76 G H H 7.05 19.44 21.38 40.56 91.45 50.15 -64.19 -42.31 0.93 0.00 99.07 0.10 0.05 0.65 99.05 0.16 0.00 0.00 0.00 77 A H H 27.95 15.09 22.74 37.49 91.61 51.09 -62.93 -42.19 0.27 0.00 99.73 0.03 0.01 0.17 99.72 0.08 0.00 0.00 0.00 78 G H H 33.26 5.66 25.41 30.74 91.50 50.65 -63.56 -42.23 0.21 0.00 99.79 0.02 0.01 0.14 99.77 0.07 0.00 0.00 0.00 79 M H H 64.05 10.47 23.75 34.37 91.95 49.29 -64.92 -42.18 0.25 0.00 99.75 0.02 0.01 0.16 99.74 0.07 0.00 0.00 0.00 80 V H H 21.65 19.24 19.58 38.33 91.97 49.12 -64.10 -42.89 0.34 0.00 99.65 0.03 0.02 0.23 99.63 0.09 0.00 0.00 0.00 81 L H H 69.95 8.38 22.38 30.93 91.44 49.55 -63.30 -41.82 0.87 0.00 99.13 0.09 0.05 0.62 99.04 0.20 0.00 0.00 0.00 82 G H H 32.06 4.04 21.25 25.27 91.44 50.15 -63.83 -41.84 3.52 0.01 96.47 0.29 0.20 2.84 96.11 0.55 0.01 0.00 0.00 83 L H H 36.75 11.42 16.36 29.07 91.92 49.10 -65.72 -40.89 6.29 0.08 93.63 1.01 0.79 4.56 92.04 1.48 0.05 0.03 0.04 84 A H H 39.85 11.60 14.04 26.39 91.84 52.01 -64.02 -40.58 9.77 0.15 90.08 1.67 1.17 7.13 86.16 3.61 0.11 0.08 0.08 85 S H H 84.12 2.16 15.67 17.97 91.21 52.67 -67.42 -27.03 22.68 0.19 77.13 1.85 1.83 19.22 73.36 3.43 0.13 0.08 0.12 86 S C T 73.19 2.81 12.94 16.72 93.39 54.03 -85.88 -4.10 74.13 0.17 25.70 1.58 4.04 67.70 23.43 3.00 0.02 0.07 0.16 87 G C T 56.99 2.28 13.06 16.56 95.36 -111.84 77.51 11.36 97.60 0.17 2.24 5.20 5.75 86.89 1.52 0.49 0.00 0.08 0.08 88 I C C 94.54 5.73 12.55 19.91 97.93 122.41 -82.07 -16.67 97.39 1.89 0.72 92.11 2.65 2.73 0.37 0.19 0.00 0.85 1.10 89 L C C 56.25 16.18 12.10 27.33 108.55 68.19 -94.97 95.62 99.55 0.43 0.01 99.53 0.15 0.03 0.01 0.00 0.00 0.24 0.05