# 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 R C C 134.81 5.56 12.94 19.94 112.70 -142.15 -84.41 137.60 99.87 0.04 0.09 99.72 0.12 0.07 0.06 0.00 0.00 0.01 0.01 1 S C C 59.92 4.06 11.56 17.11 114.49 -115.39 -77.37 158.87 72.88 0.51 26.61 68.48 0.86 3.26 26.03 0.92 0.00 0.16 0.30 2 R H H 153.86 3.48 11.37 16.38 94.45 -107.99 -63.27 -36.78 14.92 0.11 84.97 6.77 2.78 5.65 82.54 2.16 0.01 0.04 0.05 3 K H H 123.09 3.98 13.40 18.66 92.78 53.31 -65.59 -39.68 8.47 0.07 91.46 3.22 1.40 3.92 88.84 2.55 0.01 0.03 0.03 4 E H H 103.41 3.65 14.80 19.26 92.30 50.27 -65.84 -39.80 6.34 0.06 93.60 2.62 0.98 2.79 90.90 2.65 0.01 0.03 0.02 5 S H H 51.81 4.06 15.66 20.79 92.55 50.64 -65.56 -40.55 7.58 0.07 92.36 3.09 1.08 3.42 90.66 1.68 0.01 0.03 0.03 6 Y H H 89.85 7.75 16.50 25.24 92.14 50.46 -65.27 -40.82 4.74 0.03 95.23 1.59 0.58 2.33 94.60 0.87 0.00 0.01 0.01 7 S H H 36.97 9.16 16.41 26.85 91.99 52.04 -64.16 -40.83 3.91 0.02 96.07 1.09 0.37 2.21 95.80 0.51 0.00 0.01 0.01 8 V H H 69.43 4.67 19.04 24.12 91.99 50.62 -64.45 -42.06 2.02 0.01 97.97 0.25 0.15 1.54 97.82 0.23 0.00 0.00 0.00 9 Y H H 107.11 4.84 19.97 25.05 91.90 50.26 -64.27 -42.65 0.51 0.00 99.48 0.08 0.04 0.32 99.50 0.07 0.00 0.00 0.00 10 V H H 36.82 12.18 17.56 30.61 91.86 49.54 -64.38 -42.69 0.16 0.00 99.84 0.02 0.01 0.10 99.83 0.04 0.00 0.00 0.00 11 Y H H 77.11 11.10 17.77 29.50 91.83 50.48 -64.05 -41.43 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 12 K H H 108.47 3.10 21.06 23.55 91.88 50.17 -64.65 -41.59 0.13 0.00 99.87 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 13 V H H 52.45 6.19 18.54 25.96 91.69 48.99 -64.40 -42.25 0.24 0.00 99.76 0.01 0.01 0.18 99.76 0.04 0.00 0.00 0.00 14 L H H 25.68 13.98 13.81 28.96 91.78 50.40 -64.33 -40.34 0.37 0.00 99.63 0.02 0.02 0.27 99.57 0.11 0.00 0.00 0.00 15 K H H 104.64 6.83 15.21 23.23 91.90 52.66 -65.04 -37.10 1.69 0.00 98.31 0.08 0.07 1.48 98.02 0.35 0.00 0.00 0.00 16 Q H H 129.81 1.38 16.97 17.44 93.23 49.49 -69.52 -37.04 4.36 0.00 95.64 0.12 0.18 4.01 95.36 0.33 0.00 0.00 0.00 17 V H H 80.91 5.20 14.44 20.74 98.76 37.34 -86.18 -34.08 7.86 0.02 92.12 0.29 0.94 6.41 92.15 0.18 0.01 0.00 0.01 18 H C C 68.65 8.99 10.10 20.65 112.04 23.83 -133.15 69.83 99.21 0.20 0.59 60.73 37.48 0.92 0.52 0.09 0.00 0.04 0.22 19 P C T 92.34 4.47 11.01 17.87 94.70 171.46 -62.93 -26.03 86.72 0.21 13.07 13.61 6.43 66.28 2.53 10.90 0.00 0.11 0.14 20 D C T 130.02 0.63 14.27 13.35 95.66 54.37 -83.75 1.92 83.32 0.18 16.51 6.34 9.02 67.46 4.05 12.89 0.00 0.09 0.15 21 T C S 58.92 8.83 10.80 20.85 100.23 86.66 -91.47 -3.17 83.28 0.56 16.16 29.69 33.34 20.75 5.73 9.71 0.00 0.19 0.58 22 G C C 40.73 4.22 16.60 21.79 101.95 -124.16 79.12 5.93 86.06 0.92 13.03 48.88 23.56 13.52 10.31 2.71 0.00 0.31 0.71 23 I H H 58.70 11.89 13.16 25.74 98.02 118.50 -77.91 -25.12 48.81 0.83 50.36 36.05 7.32 5.26 48.76 1.88 0.00 0.26 0.47 24 S H H 53.24 8.17 15.38 24.61 94.59 72.15 -64.54 -41.78 14.67 0.14 85.19 9.03 2.17 3.76 83.43 1.49 0.00 0.06 0.07 25 S H H 77.78 1.83 18.35 19.49 92.96 46.87 -66.87 -39.52 3.52 0.03 96.46 1.22 0.52 1.68 95.46 1.09 0.00 0.01 0.01 26 K H H 122.62 2.72 18.55 21.29 92.62 48.29 -66.97 -40.45 1.92 0.02 98.06 0.59 0.23 0.99 97.38 0.80 0.00 0.01 0.00 27 A H H 20.31 13.09 14.06 28.33 92.35 50.49 -64.97 -41.65 1.32 0.01 98.67 0.37 0.13 0.68 98.36 0.45 0.00 0.00 0.00 28 M H H 78.40 7.95 17.18 26.18 91.98 51.27 -63.59 -41.03 0.66 0.00 99.34 0.16 0.05 0.33 99.28 0.17 0.00 0.00 0.00 29 G H H 38.44 2.33 19.51 21.08 91.65 51.07 -63.86 -41.90 0.76 0.00 99.24 0.13 0.04 0.45 99.22 0.15 0.00 0.00 0.00 30 I H H 82.24 4.54 19.02 24.07 92.01 48.98 -65.16 -41.88 0.58 0.00 99.42 0.09 0.03 0.35 99.40 0.12 0.00 0.00 0.00 31 M H H 55.66 11.95 16.05 28.74 91.98 50.23 -64.36 -41.49 0.52 0.00 99.47 0.10 0.04 0.29 99.46 0.11 0.00 0.00 0.00 32 N H H 80.61 5.25 18.36 24.39 91.78 50.95 -63.90 -40.21 0.88 0.00 99.12 0.14 0.05 0.54 99.11 0.15 0.00 0.00 0.00 33 S H H 62.09 2.18 19.54 20.73 91.95 50.67 -65.09 -41.13 1.36 0.00 98.64 0.15 0.08 0.95 98.61 0.21 0.00 0.00 0.00 34 F H H 87.87 6.52 18.15 25.64 92.12 49.38 -65.16 -41.83 1.37 0.00 98.62 0.19 0.10 0.91 98.56 0.23 0.00 0.00 0.00 35 V H H 44.83 10.82 16.09 28.03 91.97 50.21 -64.30 -41.92 0.97 0.00 99.03 0.21 0.08 0.54 99.03 0.14 0.00 0.00 0.00 36 N H H 83.33 3.40 18.94 22.53 91.79 50.80 -64.15 -40.78 1.04 0.00 98.96 0.21 0.07 0.60 98.98 0.13 0.00 0.00 0.00 37 D H H 78.21 2.52 19.53 21.40 92.05 50.14 -65.14 -40.98 1.04 0.00 98.96 0.17 0.07 0.65 98.97 0.13 0.00 0.00 0.00 38 I H H 53.96 9.22 17.12 27.61 91.98 50.06 -64.61 -42.39 0.53 0.00 99.47 0.08 0.03 0.32 99.47 0.10 0.00 0.00 0.00 39 F H H 79.68 10.03 16.81 27.63 91.79 50.50 -63.75 -41.29 0.30 0.00 99.70 0.05 0.02 0.17 99.68 0.09 0.00 0.00 0.00 40 E H H 117.32 2.27 19.88 21.64 91.79 50.33 -64.68 -40.94 0.38 0.00 99.62 0.04 0.02 0.24 99.58 0.12 0.00 0.00 0.00 41 R H H 127.98 3.28 19.74 23.00 91.98 49.25 -65.37 -41.32 0.86 0.00 99.13 0.09 0.05 0.61 99.07 0.18 0.00 0.00 0.00 42 I H H 42.99 12.62 16.64 30.03 92.33 48.14 -65.70 -41.61 1.84 0.01 98.15 0.26 0.15 1.22 98.13 0.24 0.00 0.00 0.00 43 A H H 45.16 7.26 17.99 26.41 91.75 51.15 -63.42 -41.13 3.75 0.02 96.24 0.64 0.32 2.39 96.20 0.43 0.00 0.01 0.01 44 G H H 37.22 2.45 20.70 22.28 92.02 50.43 -64.16 -42.41 8.29 0.03 91.68 1.35 0.77 5.68 91.38 0.78 0.01 0.01 0.02 45 E H H 82.63 6.31 19.97 26.94 92.25 49.09 -65.86 -40.72 5.25 0.03 94.72 1.33 0.65 2.99 93.96 1.04 0.00 0.01 0.01 46 A H H 24.84 13.39 15.43 29.72 92.02 52.17 -63.82 -40.61 3.44 0.02 96.53 1.04 0.38 1.79 95.08 1.68 0.00 0.01 0.01 47 S H H 58.69 4.03 19.64 23.94 91.85 51.56 -64.39 -39.69 4.31 0.04 95.66 1.02 0.43 2.64 93.15 2.72 0.01 0.02 0.01 48 R H H 134.54 2.27 20.12 21.60 92.33 50.28 -65.78 -39.90 5.74 0.07 94.19 1.10 0.62 3.89 91.05 3.25 0.02 0.04 0.02 49 L H H 49.71 9.04 15.28 25.97 92.81 50.12 -66.64 -38.66 7.54 0.14 92.32 1.79 0.96 4.71 88.07 4.31 0.02 0.09 0.04 50 A H H 39.86 8.72 13.18 23.48 92.95 55.43 -65.79 -34.42 17.90 0.32 81.78 3.70 1.87 12.15 76.04 5.87 0.05 0.19 0.12 51 H H H 132.19 2.06 15.12 17.30 95.13 53.21 -72.96 -24.85 31.69 0.49 67.82 5.58 3.40 22.69 61.95 5.80 0.08 0.26 0.23 52 Y H H 147.29 3.02 12.66 16.73 99.80 54.42 -82.74 -23.44 44.07 1.06 54.87 11.38 9.60 24.72 48.29 4.82 0.15 0.47 0.58 53 N C T 87.76 5.66 10.39 17.56 107.12 45.30 -97.93 71.69 65.98 1.02 33.00 23.06 12.61 30.43 28.83 4.04 0.03 0.42 0.59 54 K C T 160.39 1.99 11.70 15.01 98.21 -135.62 -50.42 5.83 76.45 0.73 22.82 21.50 18.00 37.52 15.84 6.31 0.01 0.29 0.52 55 R C T 156.93 3.08 11.47 15.97 107.19 87.59 -91.62 76.42 79.58 1.07 19.34 29.84 20.42 30.07 10.52 7.94 0.01 0.45 0.74 56 S C C 71.38 5.56 11.42 18.52 108.79 -153.68 -90.02 78.73 85.12 2.24 12.65 41.73 24.45 19.57 5.10 6.98 0.00 1.13 1.03 57 T C C 90.98 4.32 14.95 20.55 114.45 78.84 -100.82 122.63 84.33 7.92 7.75 55.35 18.65 10.62 3.69 4.07 0.01 5.20 2.41 58 I C C 41.07 16.64 9.78 25.99 118.93 88.75 -102.30 131.46 88.70 9.67 1.63 74.01 13.76 0.82 1.41 0.45 0.00 5.14 4.42 59 T C C 65.58 3.44 20.36 23.43 122.80 -138.66 -88.72 163.04 94.79 4.01 1.20 93.72 1.37 0.31 1.03 0.15 0.00 2.29 1.13 60 S H H 59.12 10.81 13.07 24.55 91.85 -106.02 -59.12 -38.75 2.56 0.01 97.44 0.69 0.44 1.20 97.27 0.40 0.00 0.00 0.00 61 R H H 156.49 1.92 18.36 20.13 91.70 53.57 -64.19 -39.87 0.87 0.00 99.12 0.14 0.08 0.53 98.95 0.31 0.00 0.00 0.00 62 E H H 80.30 7.96 18.37 27.09 91.79 49.35 -66.02 -40.72 0.33 0.00 99.67 0.07 0.03 0.18 99.42 0.31 0.00 0.00 0.00 63 I H H 17.88 19.78 15.44 35.15 91.95 50.19 -64.15 -42.92 0.14 0.00 99.86 0.03 0.01 0.07 99.81 0.08 0.00 0.00 0.00 64 Q H H 69.66 11.11 20.21 31.44 91.27 50.88 -62.75 -41.61 0.18 0.00 99.82 0.02 0.01 0.11 99.80 0.05 0.00 0.00 0.00 65 T H H 63.00 3.85 23.24 26.73 91.75 49.57 -64.62 -41.87 0.35 0.00 99.65 0.03 0.01 0.26 99.60 0.10 0.00 0.00 0.00 66 A H H 18.06 13.62 19.55 34.06 91.84 50.87 -64.13 -41.89 0.54 0.00 99.46 0.05 0.02 0.40 99.25 0.28 0.00 0.00 0.00 67 V H H 14.63 20.50 17.65 37.84 91.84 50.23 -64.28 -41.34 0.79 0.00 99.21 0.06 0.04 0.62 98.18 1.10 0.00 0.00 0.00 68 R H H 116.36 8.97 20.29 29.59 91.25 53.50 -64.32 -34.96 2.59 0.01 97.40 0.14 0.12 2.24 94.96 2.54 0.00 0.00 0.00 69 L H H 92.86 5.77 20.94 26.90 92.22 53.72 -70.40 -29.57 11.20 0.01 88.79 0.28 0.39 10.79 86.51 2.01 0.01 0.00 0.01 70 L H H 50.78 14.34 17.36 31.51 96.20 44.04 -87.01 -23.45 23.60 0.06 76.34 1.11 2.46 20.01 75.09 1.22 0.04 0.02 0.05 71 L C S 34.03 17.64 12.26 29.58 113.95 62.69 -107.42 112.28 98.08 0.30 1.62 21.35 74.93 1.63 1.60 0.16 0.00 0.07 0.25 72 P C C 80.71 4.84 16.33 22.28 113.31 -135.03 -68.22 145.01 88.00 0.38 11.61 61.51 11.28 14.69 9.42 2.64 0.00 0.15 0.31 73 G H H 44.77 3.07 16.94 20.44 117.96 19.99 77.24 -153.94 43.71 0.50 55.79 11.71 15.63 17.88 47.83 6.35 0.07 0.18 0.34 74 E H H 128.51 3.09 17.02 20.61 94.14 -21.09 -66.68 -35.29 14.51 0.22 85.26 4.45 2.80 7.62 76.02 8.85 0.05 0.12 0.09 75 L H H 52.92 11.48 14.65 27.07 92.14 55.31 -64.77 -39.37 7.41 0.22 92.38 3.00 1.12 3.42 83.31 8.93 0.01 0.16 0.05 76 A H H 24.16 14.03 13.88 28.65 91.93 53.79 -64.25 -39.00 5.15 0.16 94.69 2.13 0.71 2.28 85.78 8.94 0.01 0.13 0.03 77 K H H 128.11 3.16 20.21 23.66 92.47 51.82 -66.16 -36.01 8.83 0.27 90.90 2.43 1.21 5.17 82.25 8.65 0.03 0.20 0.07 78 H H H 90.22 6.12 18.70 25.53 95.57 50.18 -73.45 -31.79 16.22 0.63 83.15 4.96 2.51 9.21 75.17 7.48 0.07 0.43 0.19 79 A H H 25.77 15.15 14.25 29.62 95.60 65.98 -65.43 -39.35 24.11 2.31 73.58 13.21 4.57 8.07 66.86 5.12 0.07 1.49 0.61 80 V H H 71.86 9.30 17.06 26.74 95.52 50.76 -70.27 -36.00 29.31 3.67 67.02 16.27 5.11 9.60 60.17 5.31 0.09 2.57 0.88 81 S H H 66.69 3.89 17.70 21.91 96.85 55.09 -75.36 -33.19 38.90 2.66 58.44 18.17 7.47 14.74 51.46 5.56 0.11 1.64 0.85 82 E C H 109.46 6.11 16.46 23.25 97.86 47.90 -76.44 -18.48 58.44 0.80 40.76 10.53 10.83 36.02 36.66 5.11 0.06 0.37 0.42 83 G C T 30.34 10.83 15.29 26.35 100.39 44.73 -45.83 -30.21 68.17 0.68 31.15 18.84 12.91 36.24 26.59 4.75 0.01 0.30 0.35 84 T C H 61.08 9.97 15.36 25.87 96.87 63.03 -71.55 -31.13 49.73 1.93 48.34 33.78 8.30 7.91 43.56 4.78 0.01 1.07 0.59 85 K H H 117.00 4.40 19.03 23.91 95.36 63.95 -68.05 -35.89 36.85 4.02 59.13 25.79 6.00 6.60 52.94 4.98 0.03 2.83 0.83 86 A H H 37.80 9.35 15.79 26.44 94.15 57.64 -66.61 -38.39 26.79 4.93 68.28 19.98 4.01 4.65 61.39 5.17 0.02 4.10 0.68 87 V H H 53.40 11.71 15.14 27.31 93.89 53.24 -67.31 -38.57 20.67 5.43 73.90 15.54 3.12 3.84 67.12 4.86 0.03 4.88 0.61 88 T H H 71.02 5.60 16.44 22.95 94.37 54.87 -69.56 -37.96 21.35 4.50 74.15 15.53 3.15 4.38 67.52 4.82 0.03 4.01 0.56 89 K H H 122.27 3.45 16.44 20.45 95.72 53.25 -70.46 -34.65 24.47 3.01 72.52 15.59 4.09 6.47 66.19 4.75 0.04 2.34 0.53 90 Y H H 103.44 8.88 12.07 21.89 98.88 53.97 -77.35 -27.78 28.70 2.14 69.17 17.09 5.10 8.16 63.50 4.19 0.04 1.38 0.54 91 T H H 76.84 6.24 11.71 19.27 100.49 58.53 -79.27 -23.13 35.92 1.43 62.65 19.86 6.18 10.74 58.64 3.30 0.03 0.77 0.47 92 S C H 81.13 2.48 11.31 14.90 99.47 59.78 -79.96 -11.12 49.44 1.24 49.32 23.31 8.63 17.87 45.76 3.30 0.03 0.58 0.53 93 A C C 75.70 3.70 8.78 14.30 102.71 77.41 -82.11 14.32 71.03 0.76 28.21 48.95 2.62 18.13 27.45 2.11 0.00 0.35 0.40 94 K C C 147.49 2.94 11.68 16.21 106.65 122.08 -84.48 78.93 99.88 0.03 0.08 99.69 0.10 0.14 0.05 0.00 0.00 0.01 0.00