# 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 S C C 51.62 8.64 16.72 25.86 105.90 -127.92 -81.35 114.66 99.61 0.07 0.32 99.50 0.10 0.09 0.25 0.01 0.00 0.02 0.02 1 A H H 53.89 9.03 12.77 22.72 95.69 76.06 -67.63 -33.17 22.20 0.10 77.70 16.80 0.90 4.10 77.26 0.86 0.00 0.04 0.04 2 D H H 96.93 2.01 16.23 18.16 93.43 55.16 -66.10 -38.48 9.12 0.06 90.82 4.15 1.20 3.60 90.08 0.92 0.00 0.02 0.02 3 V H H 57.31 7.75 16.07 25.15 92.54 51.08 -65.24 -41.19 2.86 0.03 97.11 1.20 0.37 1.25 96.38 0.78 0.00 0.01 0.01 4 Y H H 48.87 16.49 14.97 31.40 92.16 50.87 -64.42 -41.56 1.07 0.01 98.91 0.41 0.12 0.49 98.57 0.40 0.00 0.00 0.00 5 K H H 100.53 6.13 20.03 26.84 91.70 51.05 -63.89 -41.14 0.55 0.00 99.45 0.16 0.05 0.28 99.37 0.15 0.00 0.00 0.00 6 E H H 93.90 3.69 22.37 25.54 91.78 49.78 -64.57 -41.79 0.34 0.00 99.66 0.07 0.02 0.19 99.64 0.07 0.00 0.00 0.00 7 F H H 34.41 16.09 19.07 35.35 92.01 49.37 -64.59 -42.82 0.22 0.00 99.78 0.04 0.01 0.13 99.78 0.04 0.00 0.00 0.00 8 F H H 35.67 17.59 19.31 36.48 91.76 49.88 -64.02 -41.88 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.02 0.00 0.00 0.00 9 K H H 110.47 3.50 24.99 28.16 91.67 50.42 -63.76 -41.67 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 10 M H H 68.91 7.73 23.34 31.35 91.72 49.39 -64.79 -41.44 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 11 A H H 5.55 21.98 17.31 39.60 91.38 50.44 -64.04 -42.08 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 12 R H H 94.99 11.42 22.33 33.44 91.54 51.14 -62.77 -41.67 0.27 0.00 99.73 0.03 0.01 0.18 99.75 0.03 0.00 0.00 0.00 13 V H H 74.71 2.81 24.28 25.83 91.59 49.66 -63.59 -42.63 0.28 0.00 99.71 0.03 0.02 0.18 99.71 0.06 0.00 0.00 0.00 14 A H H 19.43 12.07 18.41 31.90 91.80 50.19 -64.56 -41.42 0.46 0.00 99.54 0.05 0.03 0.30 99.45 0.17 0.00 0.00 0.00 15 V H H 20.38 18.76 14.54 33.18 91.75 49.73 -65.44 -39.27 1.45 0.00 98.54 0.10 0.08 1.13 98.08 0.60 0.00 0.00 0.00 16 R H H 146.80 3.94 18.88 23.75 92.04 52.62 -68.49 -29.48 6.14 0.01 93.86 0.23 0.28 5.47 93.34 0.67 0.00 0.00 0.00 17 T H H 93.69 2.41 17.43 19.58 96.16 45.33 -90.33 -12.10 27.80 0.08 72.12 1.94 2.51 22.59 71.77 1.07 0.03 0.02 0.05 18 M C C 55.55 15.14 8.19 22.64 112.75 99.57 -83.98 129.71 77.25 1.34 21.41 45.93 14.08 16.33 20.07 2.18 0.01 0.44 0.95 19 K C S 163.21 1.38 15.76 16.98 98.47 -159.39 -76.54 -25.01 91.11 0.88 8.01 30.67 44.68 15.86 5.93 1.97 0.00 0.35 0.54 20 E C S 133.24 2.54 16.69 19.77 115.53 17.72 -121.15 106.52 96.40 0.62 2.98 21.99 69.25 5.40 2.01 0.75 0.00 0.23 0.36 21 P C C 42.72 17.92 9.45 26.17 114.40 -133.73 -68.81 143.33 95.37 0.63 3.99 83.88 7.86 3.69 2.89 1.02 0.00 0.28 0.38 22 T C C 62.92 4.88 17.20 22.90 122.50 -141.61 -91.21 163.14 90.27 2.40 7.33 84.63 3.86 1.27 7.03 0.69 0.00 0.66 1.85 23 K H H 144.95 3.21 14.58 19.41 92.28 -110.55 -60.05 -36.05 6.55 0.05 93.40 1.88 1.35 3.37 91.50 1.85 0.01 0.02 0.02 24 S H H 68.31 2.01 18.28 19.61 92.15 54.70 -65.00 -39.46 4.32 0.05 95.63 1.14 0.55 2.59 93.50 2.17 0.01 0.03 0.01 25 I H H 27.98 14.49 15.03 30.34 92.12 49.28 -65.75 -41.81 1.56 0.02 98.41 0.50 0.19 0.80 96.83 1.66 0.00 0.02 0.00 26 M H H 40.00 15.81 15.79 31.70 91.79 51.57 -63.20 -41.86 0.76 0.01 99.24 0.23 0.08 0.34 98.90 0.43 0.00 0.00 0.00 27 K H H 115.08 2.36 22.59 23.81 91.62 50.46 -63.83 -41.35 0.57 0.00 99.43 0.13 0.05 0.29 99.37 0.16 0.00 0.00 0.00 28 D H H 64.38 5.51 21.83 27.68 91.78 49.29 -64.79 -41.23 0.54 0.00 99.46 0.11 0.04 0.29 99.40 0.15 0.00 0.00 0.00 29 L H H 11.79 21.06 15.91 37.14 91.52 49.89 -64.08 -42.35 0.56 0.00 99.44 0.09 0.04 0.31 99.39 0.15 0.00 0.00 0.00 30 Q H H 71.84 10.76 20.48 31.42 91.53 51.13 -63.08 -41.32 0.89 0.00 99.10 0.15 0.07 0.51 99.07 0.18 0.00 0.00 0.00 31 R H H 131.54 1.92 23.79 23.79 91.83 49.88 -64.52 -41.41 1.65 0.01 98.34 0.25 0.14 1.05 98.17 0.39 0.00 0.00 0.00 32 N H H 45.21 10.02 19.60 30.57 92.36 48.90 -66.02 -40.16 3.18 0.02 96.81 0.52 0.29 2.10 96.25 0.82 0.00 0.01 0.00 33 A H H 11.94 18.85 14.15 33.22 91.74 52.04 -64.62 -39.78 6.21 0.03 93.75 1.06 0.61 4.28 92.04 1.97 0.01 0.02 0.01 34 R H H 140.56 3.97 19.67 24.37 91.96 53.44 -66.54 -32.94 17.85 0.08 82.07 2.05 1.52 13.86 80.04 2.42 0.03 0.04 0.05 35 R H H 150.41 2.60 19.24 21.64 94.98 52.15 -79.76 -16.62 40.08 0.27 59.65 5.63 5.49 28.88 57.06 2.63 0.05 0.10 0.17 36 S C C 26.24 16.00 11.08 26.91 107.54 86.07 -81.49 105.89 69.07 1.05 29.88 44.09 12.38 11.25 28.39 2.89 0.00 0.39 0.61 37 E H H 123.83 3.82 17.47 22.07 96.33 -166.32 -68.10 -27.02 39.22 0.69 60.10 14.38 9.00 17.25 51.13 7.53 0.05 0.33 0.34 38 N H H 78.45 5.40 17.15 23.35 95.23 54.81 -71.75 -24.90 35.37 0.72 63.91 15.00 6.62 15.00 54.64 8.01 0.04 0.38 0.32 39 I H H 29.32 15.84 12.07 28.16 94.15 61.30 -67.32 -39.06 25.37 1.48 73.15 13.82 4.98 8.24 60.53 10.97 0.06 0.91 0.51 40 Q H H 88.18 8.23 14.62 23.79 94.03 54.71 -67.82 -35.01 28.20 1.74 70.05 15.77 5.20 9.18 58.49 9.62 0.07 1.07 0.60 41 R H H 165.22 1.67 15.80 17.32 95.06 52.74 -72.64 -28.48 37.45 1.40 61.14 15.29 8.06 16.15 50.76 8.24 0.11 0.73 0.65 42 D C H 82.83 6.08 12.75 20.13 100.63 50.22 -87.87 0.05 55.94 0.90 43.16 19.01 12.48 25.82 35.35 6.36 0.05 0.37 0.56 43 N C T 91.18 8.02 12.89 21.80 100.72 49.77 -77.94 21.56 74.79 0.63 24.58 18.37 16.73 40.20 18.07 5.90 0.02 0.25 0.45 44 N C C 116.59 3.02 16.62 20.48 100.16 -125.72 -78.64 31.41 81.08 1.07 17.85 36.98 15.17 29.36 11.75 5.58 0.00 0.45 0.71 45 L C C 41.82 17.29 9.81 26.30 116.09 141.84 -87.89 139.16 81.70 2.30 16.01 54.13 20.22 6.86 13.38 3.04 0.00 0.80 1.57 46 D C C 84.91 3.66 19.84 23.35 112.47 -112.29 -77.35 139.60 87.05 0.97 11.98 79.93 3.70 2.96 11.31 1.20 0.00 0.36 0.54 47 K H H 102.17 12.84 14.30 27.04 93.46 -126.76 -60.77 -35.50 3.89 0.01 96.10 0.97 0.58 2.11 95.69 0.64 0.00 0.00 0.00 48 G H H 35.86 4.38 19.50 24.42 92.25 54.58 -63.52 -41.09 2.08 0.01 97.91 0.29 0.19 1.46 97.47 0.58 0.00 0.00 0.00 49 V H H 46.71 7.86 19.95 29.07 92.34 50.01 -65.12 -42.24 0.60 0.00 99.40 0.12 0.05 0.36 99.11 0.37 0.00 0.00 0.00 50 Y H H 20.43 20.32 17.28 37.44 91.75 50.29 -63.48 -43.42 0.24 0.00 99.75 0.04 0.02 0.14 99.67 0.13 0.00 0.00 0.00 51 M H H 50.18 13.16 20.29 33.63 91.72 50.63 -63.36 -41.54 0.22 0.00 99.78 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 52 R H H 120.61 3.22 24.22 26.83 91.80 50.38 -64.47 -42.17 0.20 0.00 99.80 0.02 0.01 0.14 99.79 0.05 0.00 0.00 0.00 53 F H H 34.52 12.66 20.19 33.84 92.12 48.96 -64.15 -43.11 0.27 0.00 99.73 0.02 0.01 0.20 99.69 0.07 0.00 0.00 0.00 54 L H H 11.81 20.22 16.34 36.87 91.81 49.51 -64.09 -42.68 0.38 0.00 99.61 0.04 0.02 0.27 99.56 0.10 0.00 0.00 0.00 55 R H H 104.02 8.33 18.15 27.11 92.25 50.52 -64.31 -41.58 0.60 0.00 99.39 0.06 0.04 0.44 99.28 0.18 0.00 0.00 0.00 56 Q H H 119.87 2.30 19.18 21.33 92.86 48.37 -67.24 -39.50 1.57 0.00 98.43 0.08 0.08 1.37 98.15 0.32 0.00 0.00 0.00 57 R H H 102.86 10.03 16.11 26.56 95.58 43.18 -77.34 -34.25 6.31 0.01 93.67 0.20 0.35 5.72 93.28 0.43 0.01 0.00 0.00 58 A H H 32.53 13.80 13.44 27.48 97.42 35.82 -94.19 -10.32 29.78 0.13 70.09 1.79 3.94 23.41 70.03 0.64 0.05 0.03 0.10 59 G C T 58.61 1.58 18.54 19.59 95.99 -118.98 73.78 17.92 98.39 0.50 1.11 41.02 11.73 45.88 0.47 0.45 0.00 0.28 0.17 60 L C C 50.82 14.15 9.77 24.06 121.07 134.01 -100.44 143.99 94.98 3.73 1.29 76.76 13.02 5.07 0.40 0.93 0.00 2.29 1.52 61 S C C 84.88 2.22 18.59 21.03 113.98 -135.89 -98.26 132.11 94.25 4.76 1.00 79.10 10.92 4.07 0.29 0.77 0.00 2.87 1.98 62 V C C 48.18 16.97 10.27 26.46 119.97 -158.81 -107.65 132.20 97.09 2.80 0.10 75.74 21.15 0.44 0.03 0.07 0.00 1.70 0.88 63 P C C 71.53 5.22 15.51 22.10 115.47 -110.11 -67.11 151.29 99.43 0.49 0.08 89.93 8.87 0.68 0.02 0.06 0.00 0.32 0.12 64 P C C 93.55 4.85 12.64 19.30 111.67 -101.25 -67.04 143.85 97.91 1.44 0.64 84.63 8.98 4.26 0.14 0.52 0.00 0.83 0.64 65 I C C 96.17 8.69 8.52 18.18 111.15 -125.20 -86.94 127.21 94.23 4.78 0.99 90.85 1.19 2.79 0.30 0.46 0.00 2.20 2.22 66 K C C 157.66 1.88 13.36 16.21 110.08 -138.40 -88.05 119.03 99.91 0.08 0.01 99.84 0.07 0.03 0.00 0.00 0.00 0.04 0.01