# 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 N C C 98.79 3.77 12.45 17.38 110.16 -156.40 -91.59 118.10 99.93 0.02 0.05 99.84 0.07 0.05 0.03 0.00 0.00 0.01 0.00 1 T H H 95.78 2.66 10.08 14.11 96.85 109.91 -73.87 -23.14 45.13 0.25 54.62 35.51 1.48 7.29 53.82 1.66 0.00 0.09 0.14 2 A H H 74.27 1.70 10.50 12.96 94.28 64.67 -66.63 -36.32 31.96 0.19 67.85 17.39 4.86 9.06 66.80 1.72 0.00 0.07 0.09 3 S H H 71.88 1.61 11.62 13.55 93.85 54.00 -67.29 -38.65 16.67 0.13 83.20 10.15 2.63 4.21 81.32 1.58 0.00 0.05 0.06 4 I H H 102.27 1.76 12.00 14.18 92.97 50.71 -65.60 -40.57 4.08 0.03 95.89 1.95 0.63 1.45 95.21 0.73 0.00 0.01 0.01 5 A H H 57.76 1.92 12.96 15.33 91.88 51.09 -64.01 -41.45 2.18 0.01 97.81 0.91 0.27 0.90 97.43 0.49 0.00 0.00 0.00 6 Q H H 105.78 1.56 14.10 15.36 92.24 49.96 -64.94 -40.64 1.71 0.01 98.29 0.61 0.20 0.79 98.05 0.35 0.00 0.00 0.00 7 A H H 58.95 2.07 13.61 16.10 91.87 50.76 -64.16 -41.16 1.27 0.00 98.72 0.43 0.12 0.60 98.64 0.22 0.00 0.00 0.00 8 R H H 142.24 1.62 14.48 15.94 91.83 50.34 -64.70 -40.28 0.84 0.00 99.15 0.25 0.07 0.41 99.13 0.13 0.00 0.00 0.00 9 K H H 122.64 1.55 14.94 16.02 92.08 50.34 -64.98 -40.61 0.72 0.00 99.28 0.18 0.06 0.38 99.29 0.10 0.00 0.00 0.00 10 L H H 92.74 1.72 14.92 16.31 91.87 50.08 -64.44 -41.52 0.54 0.00 99.46 0.12 0.04 0.29 99.47 0.08 0.00 0.00 0.00 11 V H H 81.74 1.95 14.70 16.63 91.76 49.55 -64.39 -41.71 0.39 0.00 99.61 0.08 0.03 0.20 99.64 0.05 0.00 0.00 0.00 12 E H H 104.70 1.81 15.03 16.62 91.62 50.34 -64.18 -41.09 0.33 0.00 99.67 0.06 0.02 0.18 99.70 0.05 0.00 0.00 0.00 13 Q H H 104.53 1.57 15.10 16.14 91.82 50.19 -64.61 -40.97 0.39 0.00 99.61 0.06 0.02 0.22 99.64 0.06 0.00 0.00 0.00 14 L H H 96.28 1.77 14.62 16.23 91.79 50.21 -64.57 -40.76 0.42 0.00 99.58 0.06 0.03 0.24 99.59 0.08 0.00 0.00 0.00 15 K H H 125.48 1.72 14.87 16.48 91.76 50.54 -64.30 -40.54 0.56 0.00 99.44 0.08 0.03 0.33 99.44 0.11 0.00 0.00 0.00 16 M H H 106.40 1.57 15.44 16.35 91.88 49.71 -64.69 -41.30 0.99 0.00 99.00 0.14 0.07 0.63 98.95 0.22 0.00 0.00 0.00 17 E H H 109.74 1.61 15.57 16.57 91.73 49.89 -64.73 -40.56 2.23 0.00 97.76 0.28 0.16 1.50 97.68 0.38 0.00 0.00 0.00 18 A H H 53.26 2.61 14.10 17.57 91.71 50.59 -64.51 -40.55 7.99 0.01 92.00 0.89 0.61 5.92 91.88 0.70 0.00 0.00 0.01 19 N H H 89.78 1.94 15.26 17.03 92.23 51.12 -64.80 -40.14 16.50 0.03 83.47 2.57 1.17 11.71 83.59 0.92 0.00 0.01 0.02 20 I H H 97.07 1.69 15.31 16.50 92.11 50.60 -64.81 -41.57 5.84 0.02 94.14 1.59 0.81 3.09 93.65 0.83 0.00 0.01 0.01 21 D H H 85.33 1.97 14.94 16.92 92.16 50.21 -65.17 -40.68 3.92 0.02 96.06 1.38 0.45 1.90 95.58 0.67 0.00 0.00 0.01 22 R H H 140.18 1.82 14.74 16.54 92.08 50.70 -65.11 -40.39 2.44 0.01 97.55 0.70 0.27 1.30 97.16 0.55 0.00 0.00 0.00 23 I H H 98.13 1.74 15.19 16.54 91.91 49.63 -64.89 -41.32 1.59 0.01 98.40 0.48 0.18 0.80 98.23 0.32 0.00 0.00 0.00 24 K H H 120.34 1.80 15.54 17.07 92.08 50.16 -64.73 -41.02 1.54 0.01 98.45 0.48 0.15 0.78 98.33 0.25 0.00 0.00 0.00 25 V H H 83.35 2.26 15.08 17.55 91.95 49.42 -64.42 -41.58 1.05 0.00 98.94 0.29 0.11 0.52 98.91 0.17 0.00 0.00 0.00 26 S H H 61.94 2.03 15.81 17.65 91.76 50.45 -64.59 -40.92 0.97 0.00 99.03 0.24 0.07 0.50 99.06 0.13 0.00 0.00 0.00 27 K H H 124.53 1.59 16.73 17.49 92.20 49.84 -64.97 -40.94 0.84 0.00 99.16 0.15 0.07 0.50 99.17 0.11 0.00 0.00 0.00 28 A H H 54.80 2.42 15.60 18.32 91.89 49.98 -64.28 -41.64 0.69 0.00 99.31 0.13 0.05 0.39 99.35 0.09 0.00 0.00 0.00 29 A H H 55.38 2.66 15.36 18.61 91.85 50.52 -63.69 -41.01 0.46 0.00 99.54 0.07 0.02 0.25 99.60 0.06 0.00 0.00 0.00 30 A H H 58.94 2.11 16.04 18.02 91.71 50.90 -63.80 -40.95 0.25 0.00 99.75 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 31 D H H 90.41 1.52 16.42 17.00 92.07 49.76 -64.83 -40.80 0.25 0.00 99.75 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 32 L H H 92.78 2.42 15.13 17.93 91.92 50.26 -64.52 -41.39 0.17 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 33 M H H 101.81 2.69 15.00 18.33 91.70 50.38 -64.41 -40.94 0.14 0.00 99.86 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 34 A H H 61.24 1.62 15.92 16.78 91.64 50.49 -63.84 -41.35 0.27 0.00 99.73 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 35 Y H H 129.76 1.69 15.65 16.77 92.08 49.41 -64.55 -41.47 0.40 0.00 99.60 0.03 0.02 0.28 99.59 0.09 0.00 0.00 0.00 36 C H H 56.97 4.71 12.39 18.92 92.34 50.52 -64.76 -40.73 0.53 0.00 99.47 0.05 0.03 0.35 99.40 0.16 0.00 0.00 0.00 37 E H H 121.51 1.97 14.49 16.78 91.73 50.87 -64.99 -38.70 1.30 0.00 98.70 0.07 0.06 1.02 98.42 0.43 0.00 0.00 0.00 38 A H H 73.46 1.16 15.09 14.97 92.30 50.72 -67.12 -35.59 6.43 0.00 93.56 0.12 0.21 6.24 92.68 0.75 0.00 0.00 0.00 39 H H H 106.44 3.25 12.73 17.15 97.78 40.20 -95.16 -4.58 25.37 0.02 74.61 0.89 1.11 23.24 73.00 1.72 0.01 0.00 0.02 40 A H G 43.54 8.47 8.76 18.93 92.72 92.46 -61.73 -35.25 21.28 0.09 78.63 2.15 1.54 16.45 19.45 60.31 0.00 0.05 0.04 41 K H G 158.82 1.11 13.14 14.18 91.85 58.33 -70.05 -23.75 27.06 0.06 72.88 0.93 1.33 24.18 9.52 63.98 0.00 0.03 0.03 42 E H G 152.52 0.81 13.10 12.81 97.17 45.40 -93.79 -5.41 28.39 0.12 71.50 1.76 3.04 22.30 5.97 66.82 0.00 0.05 0.05 43 D C C 58.81 7.40 7.21 16.40 112.02 93.45 -96.54 115.73 99.54 0.34 0.12 73.73 25.50 0.24 0.05 0.05 0.00 0.07 0.35 44 P C T 107.49 1.80 10.41 13.64 92.49 -155.95 -64.19 -23.88 84.23 0.12 15.65 1.98 4.79 75.83 0.96 16.30 0.00 0.06 0.09 45 L C T 126.77 1.70 10.22 12.78 93.64 64.14 -74.92 -12.89 83.85 0.32 15.84 1.74 5.32 75.81 1.19 15.58 0.00 0.16 0.20 46 L C T 103.50 4.35 8.77 14.69 98.39 61.32 -85.05 -4.55 72.38 4.84 22.78 22.65 23.02 26.75 2.40 19.82 0.05 1.93 3.38 47 T C C 91.62 2.89 9.91 14.57 116.16 84.54 -98.34 133.14 91.92 3.12 4.96 37.29 33.62 21.01 1.04 3.89 0.00 1.37 1.77 48 P C S 110.15 1.79 11.44 14.26 110.42 -110.50 -72.34 134.63 98.16 0.67 1.17 39.89 39.96 18.13 0.17 1.17 0.00 0.31 0.37 49 V C C 72.98 7.05 7.50 16.19 117.49 -134.76 -97.95 134.37 98.45 1.12 0.44 58.24 39.60 0.67 0.21 0.18 0.00 0.36 0.73 50 P C C 84.84 1.84 13.07 15.07 112.24 -107.47 -65.73 143.15 98.45 0.86 0.69 96.38 1.63 0.60 0.19 0.32 0.00 0.30 0.58 51 A H G 76.40 5.30 8.19 15.37 94.17 -123.93 -61.32 -32.33 37.99 0.32 61.69 5.73 5.26 23.58 1.49 63.67 0.00 0.17 0.10 52 S H G 96.69 0.72 11.74 11.88 94.14 62.84 -72.90 -16.17 38.12 0.14 61.74 2.41 3.47 27.59 1.25 65.16 0.00 0.08 0.04 53 E H G 134.27 1.89 11.60 14.14 98.83 52.63 -93.76 -2.54 34.40 0.33 65.27 5.80 6.30 18.93 1.29 67.42 0.00 0.16 0.09 54 N C C 46.69 9.90 7.04 18.11 111.99 100.70 -89.17 119.73 99.00 0.50 0.51 70.33 27.97 0.54 0.19 0.29 0.00 0.12 0.56 55 P C T 90.66 3.10 11.66 16.41 92.61 -149.14 -65.13 -21.25 69.76 0.14 30.10 3.73 4.64 58.71 1.64 31.12 0.00 0.07 0.09 56 F C T 125.39 5.06 9.30 15.82 95.28 61.54 -80.50 -9.58 71.82 0.31 27.87 3.94 4.84 61.20 2.01 27.66 0.00 0.17 0.18 57 R C C 150.63 3.82 8.86 14.45 101.34 76.90 -79.68 -1.39 68.70 1.33 29.97 48.56 5.55 12.89 2.98 28.71 0.00 0.64 0.67 58 E C C 146.08 1.84 12.11 14.90 104.49 76.04 -80.06 75.89 99.91 0.03 0.06 99.71 0.14 0.10 0.02 0.01 0.00 0.01 0.01