# 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 P C C 75.31 5.70 14.81 21.76 117.02 -105.27 -68.87 153.67 99.98 0.02 0.00 99.84 0.13 0.02 0.00 0.00 0.00 0.01 0.00 1 P C C 101.89 3.23 13.95 18.74 113.46 -98.57 -67.14 146.41 98.80 1.05 0.15 97.52 0.98 0.40 0.05 0.05 0.00 0.29 0.71 2 L C C 74.89 11.95 8.64 20.82 117.34 -111.41 -80.72 141.89 97.22 2.46 0.32 81.18 15.33 0.50 0.14 0.15 0.00 0.81 1.90 3 P C C 60.74 7.73 11.37 20.87 113.68 -104.02 -64.34 149.24 93.98 2.13 3.90 85.24 4.64 3.89 0.75 3.13 0.00 0.95 1.40 4 E C S 156.99 1.62 12.56 15.19 94.02 -123.75 -69.13 -25.31 89.46 2.19 8.35 22.03 39.00 28.38 1.00 7.36 0.00 1.05 1.18 5 H C T 132.91 3.14 13.05 17.45 109.36 44.80 -107.65 63.12 86.36 4.94 8.70 15.95 34.07 36.44 1.01 7.55 0.01 2.41 2.56 6 G C C 38.17 7.06 13.37 21.56 122.88 -113.46 92.47 -176.07 94.66 2.29 3.06 38.37 30.62 25.27 0.29 3.33 0.00 1.16 0.96 7 G C C 30.51 10.20 13.50 24.29 128.05 -90.07 -98.58 169.57 92.50 6.51 0.99 56.89 27.35 8.28 0.14 1.13 0.00 4.85 1.37 8 K C C 127.62 4.24 18.68 23.68 118.81 -84.84 -90.08 143.36 63.19 36.41 0.40 51.41 9.86 1.30 0.10 0.36 0.00 34.17 2.79 9 V E E 62.08 13.29 11.55 25.07 120.13 -141.09 -103.73 135.27 12.00 87.89 0.11 10.76 0.99 0.09 0.08 0.05 0.00 76.45 11.57 10 R E E 107.90 7.57 14.11 23.07 120.99 -162.78 -116.44 134.46 24.32 75.55 0.13 22.30 1.50 0.26 0.05 0.09 0.00 73.21 2.58 11 L C T 115.49 5.30 14.97 21.36 98.77 -26.69 32.11 77.72 83.25 14.22 2.53 1.43 5.42 78.77 0.08 2.38 0.00 11.15 0.78 12 G C T 46.12 6.44 14.80 22.17 96.02 -29.37 77.13 -0.76 97.90 0.16 1.94 0.68 3.58 93.41 0.04 2.16 0.00 0.09 0.04 13 L C T 81.61 9.82 17.08 26.89 102.81 57.41 -98.90 -13.17 97.06 0.92 2.02 1.47 9.64 85.72 0.07 2.27 0.00 0.63 0.21 14 I E E 28.15 16.70 13.24 30.45 120.24 76.65 -111.72 129.62 19.31 80.60 0.09 11.44 8.78 0.60 0.04 0.06 0.00 73.01 6.08 15 P E E 37.62 7.94 17.55 27.49 112.63 -109.15 -64.81 143.31 11.06 88.89 0.04 11.24 0.28 0.03 0.03 0.02 0.00 73.47 14.93 16 E H H 79.46 11.34 14.12 26.41 92.40 -125.12 -60.58 -37.16 7.29 0.13 92.58 1.26 0.84 4.71 79.91 13.12 0.02 0.10 0.03 17 E H H 114.22 2.71 18.79 21.37 91.77 58.46 -64.07 -37.90 3.22 0.03 96.76 0.22 0.20 2.52 81.76 15.27 0.01 0.02 0.00 18 F H H 71.28 8.43 16.44 26.09 92.32 51.16 -66.11 -39.87 1.67 0.01 98.31 0.15 0.11 1.21 81.68 16.85 0.00 0.01 0.00 19 F H H 21.83 19.04 12.26 31.17 92.19 52.15 -66.03 -38.64 1.51 0.00 98.49 0.16 0.10 1.05 86.81 11.87 0.00 0.00 0.00 20 Q H H 97.04 6.69 15.95 23.90 91.57 57.12 -64.66 -33.96 3.23 0.01 96.76 0.19 0.16 2.63 81.87 15.13 0.01 0.00 0.00 21 F H H 133.22 2.38 17.58 19.58 92.61 52.52 -70.75 -31.99 8.10 0.01 91.89 0.21 0.33 7.53 78.92 12.96 0.03 0.00 0.01 22 L H H 57.98 11.12 14.39 26.30 97.41 44.59 -83.41 -26.55 17.53 0.07 82.40 0.73 1.61 15.39 74.92 7.12 0.14 0.02 0.06 23 Y C S 58.06 15.40 10.67 25.63 107.05 50.88 -104.15 79.49 72.71 1.76 25.53 25.57 40.88 6.78 22.33 2.51 0.05 0.44 1.44 24 P C T 88.20 4.11 14.66 20.03 97.76 84.15 -66.49 -22.72 54.55 0.93 44.52 18.85 5.81 29.81 22.39 22.06 0.02 0.48 0.57 25 K C T 149.28 2.76 14.25 17.80 97.31 47.54 -77.04 -15.69 54.47 0.85 44.69 5.18 7.96 39.60 24.42 21.61 0.15 0.44 0.65 26 T C T 65.52 8.95 12.52 22.20 100.75 47.36 -91.09 -7.00 57.04 1.15 41.81 6.99 12.39 37.28 23.53 18.17 0.21 0.54 0.88 27 G C C 46.45 4.63 16.62 22.25 99.70 -118.46 80.77 6.12 95.47 2.55 1.98 38.81 35.76 21.21 0.55 1.35 0.00 1.38 0.94 28 V C C 52.23 12.89 12.44 25.92 114.52 119.22 -97.70 122.20 92.06 6.81 1.13 76.91 12.56 2.30 0.54 0.59 0.00 3.31 3.79 29 T C C 67.97 7.62 16.47 25.24 116.29 155.39 -115.33 152.70 92.57 5.51 1.91 81.35 9.01 1.80 1.39 0.58 0.00 2.16 3.72 30 G H H 33.83 6.59 18.35 25.57 116.95 36.45 -25.60 -148.88 36.65 1.03 62.32 12.68 16.17 9.74 57.76 2.73 0.08 0.41 0.43 31 P H H 76.42 5.99 18.33 24.85 93.38 -10.15 -65.96 -34.60 13.11 0.25 86.64 2.87 2.27 8.48 82.11 3.94 0.08 0.14 0.11 32 Y H H 86.29 12.11 17.71 29.96 92.67 54.08 -66.06 -39.98 6.35 0.21 93.44 1.61 0.89 3.99 88.62 4.64 0.05 0.14 0.06 33 V H H 39.99 14.93 17.40 32.31 92.51 50.94 -65.43 -41.38 4.73 0.20 95.07 1.40 0.69 2.73 91.58 3.39 0.03 0.13 0.05 34 L H H 82.94 6.74 21.43 28.50 92.32 50.07 -65.33 -41.16 6.87 0.21 92.92 1.55 0.89 4.49 90.91 1.92 0.04 0.12 0.08 35 G H H 27.23 8.02 21.04 29.35 92.50 50.62 -65.29 -40.55 8.04 0.08 91.88 1.52 0.91 5.44 90.97 1.07 0.02 0.03 0.04 36 T H H 32.79 14.40 19.78 34.30 92.17 50.57 -64.82 -40.91 4.63 0.03 95.34 0.78 0.51 3.07 94.85 0.76 0.01 0.01 0.01 37 G H H 20.86 12.96 19.28 32.58 92.02 52.79 -63.19 -41.97 2.65 0.02 97.33 0.59 0.25 1.55 97.09 0.50 0.00 0.01 0.01 38 L H H 80.60 5.91 22.51 28.21 91.86 50.37 -64.73 -41.21 0.96 0.01 99.03 0.20 0.08 0.55 98.76 0.40 0.00 0.00 0.00 39 I H H 61.71 9.37 20.68 30.38 91.86 49.74 -64.75 -42.26 0.55 0.01 99.44 0.10 0.05 0.33 99.06 0.46 0.00 0.00 0.00 40 L H H 38.44 14.42 17.09 32.00 91.89 50.35 -64.58 -41.27 0.64 0.01 99.36 0.09 0.05 0.43 98.73 0.70 0.00 0.01 0.00 41 Y H H 100.50 8.29 18.05 26.97 92.12 50.82 -64.30 -40.55 1.40 0.01 98.59 0.14 0.10 1.09 97.23 1.43 0.00 0.01 0.00 42 L H H 87.38 5.29 17.96 23.17 92.69 50.85 -68.07 -35.26 5.22 0.03 94.75 0.32 0.31 4.62 93.19 1.52 0.02 0.01 0.01 43 L H H 67.53 9.19 14.38 24.52 94.87 49.72 -77.23 -23.92 21.90 0.30 77.80 2.21 2.56 17.76 75.00 2.04 0.14 0.13 0.17 44 S C H 42.97 11.01 10.68 22.41 102.32 68.87 -79.55 0.61 57.76 2.55 39.69 20.46 8.66 29.18 36.28 3.04 0.07 1.14 1.17 45 K C T 157.34 1.84 14.44 16.56 97.35 -134.86 -74.83 -6.49 79.37 1.19 19.44 10.82 19.33 48.87 15.97 3.74 0.04 0.58 0.65 46 E C T 119.25 4.11 12.27 17.66 106.98 76.45 -99.08 18.52 82.04 3.01 14.96 21.12 21.15 40.19 10.74 3.95 0.04 1.81 1.01 47 I C S 102.81 6.13 11.02 18.50 109.14 40.58 -92.41 100.85 75.37 11.30 13.33 27.94 30.96 17.74 7.29 5.54 0.11 8.20 2.22 48 Y C S 143.27 5.33 12.84 19.51 111.50 49.36 -99.97 102.53 60.10 28.53 11.37 23.53 24.27 15.09 5.94 5.13 0.19 22.90 2.95 49 V E E 79.64 7.17 14.73 23.10 112.90 120.91 -103.69 116.68 39.83 49.72 10.45 24.34 13.42 4.98 6.90 3.89 0.18 39.50 6.79 50 I C C 54.42 14.31 11.85 26.57 116.27 -160.60 -103.36 125.26 58.26 37.55 4.19 47.74 9.26 1.51 3.25 1.28 0.03 31.13 5.80 51 T C C 60.65 5.19 19.08 24.77 124.02 -161.02 -95.99 162.75 92.15 6.57 1.28 88.29 3.83 0.35 1.21 0.19 0.00 5.30 0.82 52 A H H 56.38 10.05 14.06 25.03 91.63 -103.93 -58.72 -37.82 2.45 0.01 97.54 0.40 0.34 1.49 97.26 0.50 0.00 0.00 0.00 53 E H H 115.06 3.66 17.58 21.86 91.81 53.33 -64.86 -39.51 1.21 0.00 98.78 0.18 0.10 0.80 98.42 0.49 0.00 0.00 0.00 54 T H H 48.58 7.83 17.09 26.17 92.27 49.50 -65.50 -41.48 0.41 0.00 99.59 0.09 0.03 0.23 99.29 0.35 0.00 0.00 0.00 55 F H H 60.28 12.59 16.58 29.68 92.10 49.96 -64.64 -42.28 0.15 0.00 99.85 0.03 0.01 0.08 99.78 0.10 0.00 0.00 0.00 56 S H H 42.67 8.35 18.31 27.69 91.84 50.47 -63.94 -41.70 0.27 0.00 99.73 0.03 0.01 0.17 99.70 0.08 0.00 0.00 0.00 57 A H H 52.06 4.52 20.19 25.00 91.82 50.43 -64.44 -41.62 0.52 0.00 99.48 0.03 0.02 0.38 99.45 0.11 0.00 0.00 0.00 58 I H H 70.40 7.87 19.76 28.21 92.36 48.96 -65.65 -41.43 0.90 0.00 99.10 0.09 0.04 0.62 99.05 0.19 0.00 0.00 0.00 59 S H H 32.94 11.85 17.62 30.12 92.15 50.38 -65.48 -41.82 2.44 0.00 97.55 0.25 0.10 1.87 97.61 0.17 0.00 0.00 0.00 60 T H H 66.11 6.37 20.11 26.79 92.45 49.69 -64.64 -41.91 0.96 0.00 99.04 0.09 0.05 0.69 99.04 0.12 0.00 0.00 0.00 61 I H H 90.10 3.64 20.92 24.47 92.18 49.00 -65.02 -42.37 0.24 0.00 99.76 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 62 G H H 23.87 8.06 18.08 27.18 91.82 50.38 -64.20 -41.97 0.15 0.00 99.85 0.02 0.00 0.09 99.86 0.03 0.00 0.00 0.00 63 V H H 58.98 8.81 18.31 27.74 92.12 49.43 -64.50 -41.80 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 64 L H H 79.15 5.53 18.88 25.13 91.88 49.94 -64.21 -42.08 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 65 V H H 72.42 3.79 19.13 23.22 91.66 49.47 -64.24 -42.43 0.12 0.00 99.88 0.01 0.00 0.10 99.86 0.03 0.00 0.00 0.00 66 Y H H 85.84 6.51 17.53 24.88 91.97 49.32 -64.49 -42.35 0.40 0.00 99.60 0.01 0.01 0.35 99.55 0.07 0.00 0.00 0.00 67 I H H 53.01 8.41 15.08 25.09 91.75 49.95 -64.13 -41.96 0.95 0.01 99.05 0.05 0.07 0.80 98.93 0.15 0.00 0.00 0.00 68 V H H 73.36 5.18 14.96 21.42 92.29 49.12 -65.46 -40.68 0.59 0.00 99.41 0.04 0.04 0.48 99.25 0.19 0.00 0.00 0.00 69 K H H 136.58 2.20 15.91 18.12 93.95 44.93 -71.06 -38.83 0.96 0.00 99.04 0.03 0.03 0.88 98.75 0.30 0.00 0.00 0.00 70 K H H 125.55 3.40 15.29 19.08 99.29 34.08 -88.56 -36.51 2.94 0.00 97.06 0.04 0.09 2.95 96.58 0.33 0.00 0.00 0.00 71 Y H H 109.37 6.53 12.53 20.42 102.64 25.95 -107.83 -11.95 11.56 0.03 88.41 0.41 1.26 9.91 87.96 0.40 0.03 0.01 0.02 72 G C C 30.76 6.71 13.34 21.77 109.83 118.17 34.20 -127.60 53.26 0.42 46.31 40.50 4.84 8.47 26.11 19.64 0.00 0.20 0.24 73 A H H 77.75 3.04 15.05 18.55 94.17 17.25 -69.12 -28.89 37.50 0.33 62.17 6.06 6.43 23.14 37.30 26.63 0.06 0.17 0.21 74 S H H 64.33 3.51 16.17 20.24 94.53 58.34 -73.82 -25.33 28.30 0.41 71.29 8.61 3.15 15.20 46.52 26.06 0.03 0.24 0.19 75 I H H 53.78 9.49 12.93 23.87 92.89 65.99 -64.81 -41.37 10.47 0.19 89.35 3.96 1.85 5.05 78.82 10.12 0.02 0.11 0.07 76 G H H 29.38 5.43 14.36 21.49 92.16 51.72 -63.39 -40.38 6.97 0.08 92.95 1.94 0.92 3.96 83.20 9.89 0.01 0.06 0.02 77 A H H 57.88 2.39 15.06 17.79 92.21 52.29 -64.60 -40.49 5.94 0.07 93.99 1.35 0.71 3.58 82.65 11.64 0.01 0.05 0.02 78 F H H 113.08 3.70 13.12 18.05 93.18 50.54 -66.99 -37.89 7.47 0.07 92.46 1.71 0.95 4.49 82.30 10.46 0.02 0.04 0.03 79 A H H 64.20 5.21 10.59 17.24 93.45 53.30 -69.67 -29.42 21.45 0.18 78.38 3.50 2.74 15.18 72.27 6.07 0.05 0.08 0.11 80 D C H 108.15 2.08 10.39 13.64 97.98 54.15 -84.42 -4.92 56.41 0.23 43.36 18.37 1.62 35.01 42.13 2.61 0.00 0.09 0.17 81 K C C 145.43 2.75 11.32 15.69 103.72 92.31 -77.77 66.02 99.93 0.01 0.06 99.67 0.13 0.14 0.05 0.00 0.00 0.00 0.00