# 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 T C C 68.69 8.91 17.83 27.25 114.07 -160.17 -102.65 122.69 99.77 0.23 0.00 99.74 0.09 0.01 0.00 0.00 0.00 0.16 0.00 1 E E E 94.21 9.38 18.30 28.23 122.34 -134.49 -108.35 140.10 31.29 68.67 0.04 30.88 0.58 0.07 0.01 0.02 0.00 67.55 0.89 2 F E E 22.44 19.70 15.26 35.02 129.90 -171.37 -127.23 147.49 8.24 91.75 0.01 7.31 0.64 0.04 0.00 0.01 0.00 91.86 0.15 3 D E E 46.43 10.03 25.23 35.78 118.24 -143.55 -106.55 131.27 2.49 97.51 0.00 2.07 0.20 0.01 0.00 0.00 0.00 97.69 0.02 4 V E E 3.52 25.73 17.96 44.50 121.58 -162.64 -117.97 130.74 0.64 99.36 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.39 0.01 5 I E E 41.78 10.59 27.20 38.82 117.73 -162.44 -112.99 124.31 0.27 99.73 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.01 6 L E E 8.57 24.29 15.85 40.66 112.02 -149.84 -91.07 120.44 1.71 98.28 0.01 1.73 0.05 0.01 0.00 0.00 0.00 98.15 0.06 7 K E E 108.88 6.16 23.80 30.55 100.39 178.83 -91.70 -30.32 20.15 79.42 0.43 11.90 7.30 1.41 0.06 0.30 0.00 78.76 0.27 8 A E E 49.37 7.49 24.47 32.44 135.07 4.72 -153.74 145.80 49.54 49.68 0.78 24.96 22.27 3.11 0.12 0.59 0.00 48.35 0.59 9 A C C 24.81 21.88 13.59 33.90 108.62 -166.13 -105.30 25.73 71.35 25.62 3.03 58.47 8.06 3.90 0.68 2.37 0.00 25.04 1.49 10 G C C 31.31 8.80 19.34 28.61 124.41 155.18 87.38 -162.21 81.34 9.30 9.37 48.18 19.23 14.21 1.80 8.04 0.01 6.48 2.05 11 A C S 84.26 3.83 17.96 22.49 96.97 -47.82 -75.48 -16.76 85.95 2.41 11.64 13.61 46.61 27.27 2.40 7.69 0.02 1.31 1.09 12 N C C 77.76 7.83 18.33 26.88 108.09 61.43 -105.90 95.72 87.56 1.56 10.87 57.84 14.31 15.48 5.07 5.66 0.00 0.76 0.88 13 K H H 72.95 18.47 15.05 32.26 94.18 -150.67 -64.39 -37.49 5.93 0.05 94.01 2.66 1.31 1.99 93.49 0.51 0.00 0.02 0.03 14 V H H 79.09 7.02 22.68 29.98 91.91 54.31 -64.11 -41.93 1.03 0.00 98.97 0.22 0.10 0.55 98.89 0.23 0.00 0.00 0.00 15 A H H 36.55 7.00 23.49 31.26 91.65 50.05 -64.79 -40.98 0.40 0.00 99.60 0.10 0.03 0.21 99.42 0.24 0.00 0.00 0.00 16 V H H 3.14 25.17 18.51 44.04 91.17 50.61 -63.56 -44.16 0.27 0.00 99.73 0.06 0.02 0.13 99.69 0.10 0.00 0.00 0.00 17 I H H 18.66 20.28 22.09 41.62 91.20 50.04 -62.60 -43.34 0.17 0.00 99.83 0.03 0.01 0.08 99.86 0.02 0.00 0.00 0.00 18 K H H 116.26 3.41 27.24 30.75 91.54 50.39 -63.27 -42.35 0.12 0.00 99.88 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 19 A H H 20.54 12.47 22.85 36.04 91.80 49.90 -64.36 -42.46 0.26 0.00 99.74 0.02 0.01 0.17 99.75 0.04 0.00 0.00 0.00 20 V H H 3.55 25.12 17.89 43.19 91.96 48.12 -65.13 -42.54 0.64 0.00 99.36 0.04 0.04 0.48 99.37 0.06 0.00 0.00 0.00 21 R H H 91.00 12.81 19.48 31.91 91.61 50.94 -63.13 -41.38 2.11 0.01 97.88 0.22 0.21 1.46 97.94 0.15 0.02 0.00 0.00 22 G H H 52.30 1.90 21.81 22.78 92.24 50.84 -66.19 -36.69 6.63 0.01 93.35 0.32 0.41 5.83 92.66 0.73 0.03 0.00 0.01 23 A H H 43.72 12.37 16.73 29.10 96.53 44.99 -77.27 -32.43 12.21 0.03 87.77 0.42 1.05 10.65 86.96 0.85 0.03 0.01 0.02 24 T H H 42.76 13.74 14.62 28.39 101.48 25.69 -102.89 -12.08 21.34 0.11 78.55 1.80 5.29 14.10 78.05 0.60 0.05 0.02 0.09 25 G C C 60.95 1.33 19.55 19.87 95.10 -118.25 77.84 14.37 99.76 0.06 0.18 51.71 16.08 31.99 0.06 0.10 0.00 0.03 0.03 26 L C C 48.60 13.57 10.73 24.80 119.37 138.37 -90.96 145.75 99.54 0.33 0.13 85.00 14.15 0.29 0.07 0.03 0.00 0.09 0.36 27 G C C 33.82 3.28 21.39 23.92 122.54 -113.88 -77.59 168.20 99.76 0.11 0.13 98.86 0.83 0.11 0.08 0.01 0.00 0.03 0.07 28 L H H 73.53 14.52 12.95 27.23 91.82 -98.40 -58.47 -38.81 2.62 0.01 97.37 0.54 0.54 1.29 97.21 0.41 0.00 0.00 0.00 29 K H H 145.12 1.47 20.44 20.84 91.70 51.93 -63.94 -40.94 1.31 0.00 98.68 0.19 0.14 0.84 98.32 0.51 0.00 0.00 0.00 30 E H H 91.76 4.44 20.66 25.30 91.87 48.45 -65.92 -40.36 0.60 0.00 99.40 0.12 0.05 0.34 99.00 0.50 0.00 0.00 0.00 31 A H H 3.28 23.13 12.79 36.32 91.46 50.98 -63.21 -43.07 0.28 0.00 99.72 0.05 0.02 0.14 99.65 0.14 0.00 0.00 0.00 32 K H H 86.89 11.53 20.09 31.48 91.34 51.83 -62.09 -42.11 0.19 0.00 99.81 0.02 0.01 0.10 99.81 0.06 0.00 0.00 0.00 33 D H H 87.90 1.72 24.28 23.68 91.61 49.78 -64.53 -41.45 0.24 0.00 99.76 0.02 0.01 0.15 99.73 0.09 0.00 0.00 0.00 34 L H H 37.03 13.21 19.27 32.99 92.32 49.57 -64.82 -42.36 0.47 0.00 99.53 0.04 0.02 0.32 99.41 0.21 0.00 0.00 0.00 35 V H H 7.09 24.41 14.37 38.54 92.07 48.65 -65.87 -39.12 1.72 0.00 98.28 0.11 0.09 1.37 97.85 0.59 0.00 0.00 0.00 36 E H H 123.97 4.82 19.91 25.89 91.43 53.65 -68.06 -26.50 15.03 0.01 84.95 0.35 0.54 14.27 84.05 0.77 0.01 0.00 0.01 37 S H H 80.70 2.27 19.88 21.72 96.37 49.12 -91.96 -4.30 48.88 0.07 51.04 2.06 3.84 40.66 52.05 1.30 0.01 0.02 0.06 38 A C S 27.57 17.98 11.60 28.79 120.46 112.81 -77.11 151.52 99.44 0.33 0.23 33.29 65.52 0.76 0.09 0.07 0.00 0.13 0.14 39 P C C 74.73 7.95 19.32 27.76 112.42 -91.25 -68.18 144.41 97.02 2.55 0.43 85.64 10.12 1.35 0.09 0.31 0.00 2.13 0.36 40 A E E 40.79 16.63 15.40 31.14 130.81 -170.73 -128.73 147.59 42.34 56.52 1.14 33.84 7.82 1.26 0.43 0.80 0.00 52.23 3.62 41 A E E 55.33 9.39 21.34 30.89 114.36 -114.75 -84.10 130.87 17.44 81.82 0.74 15.60 1.74 0.46 0.30 0.43 0.00 79.93 1.55 42 L E E 47.47 19.70 15.17 33.44 112.11 -160.35 -93.96 120.51 15.51 83.90 0.58 13.78 1.64 0.31 0.28 0.29 0.00 82.27 1.43 43 K E E 89.67 11.13 18.50 29.84 127.43 -137.05 -123.50 136.84 23.88 75.51 0.61 21.89 1.59 0.43 0.21 0.33 0.00 74.24 1.31 44 E E E 125.64 5.51 17.33 24.87 120.99 -146.39 -101.01 142.28 41.23 57.96 0.81 10.37 14.26 17.88 0.11 0.71 0.00 55.83 0.84 45 G C E 52.04 3.06 19.44 22.86 97.36 19.31 78.53 5.90 56.47 42.98 0.54 14.14 21.70 21.05 0.05 0.53 0.00 42.09 0.45 46 V C C 23.29 19.40 9.36 28.02 118.62 143.08 -89.44 137.38 51.33 48.48 0.19 45.08 5.85 0.29 0.09 0.13 0.00 43.29 5.28 47 S C C 54.49 3.10 21.36 23.63 120.49 -122.27 -76.55 161.50 78.97 20.87 0.16 80.05 0.55 0.08 0.10 0.03 0.00 17.10 2.09 48 K H H 117.21 9.62 13.62 24.25 91.51 -107.07 -58.29 -38.78 2.23 0.00 97.76 0.21 0.23 1.60 97.41 0.55 0.00 0.00 0.00 49 D H H 112.25 1.01 19.92 18.89 91.94 51.80 -64.74 -39.93 1.44 0.00 98.56 0.13 0.10 1.10 98.02 0.65 0.00 0.00 0.00 50 D H H 65.17 7.28 19.05 27.08 92.29 47.67 -67.17 -39.09 0.53 0.00 99.47 0.10 0.04 0.33 98.95 0.58 0.00 0.00 0.00 51 A H H 5.64 21.95 12.84 34.92 91.61 52.65 -62.95 -43.01 0.20 0.00 99.80 0.03 0.01 0.11 99.70 0.15 0.00 0.00 0.00 52 E H H 101.47 4.11 23.06 27.13 91.48 50.62 -63.47 -41.17 0.25 0.00 99.75 0.02 0.01 0.17 99.72 0.08 0.00 0.00 0.00 53 A H H 53.21 2.86 23.43 25.34 91.38 50.45 -63.64 -41.99 0.53 0.00 99.47 0.02 0.01 0.45 99.45 0.06 0.00 0.00 0.00 54 L H H 11.24 20.81 17.89 38.71 91.90 50.10 -64.48 -42.62 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.03 0.00 0.00 0.00 55 K H H 70.62 16.40 20.30 35.39 91.31 52.83 -61.26 -42.70 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 56 K H H 123.25 1.69 25.23 24.86 91.45 50.11 -63.49 -41.68 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 57 A H H 30.39 8.93 20.94 31.07 91.57 50.17 -64.45 -41.98 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 58 L H H 4.06 25.11 13.41 38.89 91.53 50.29 -63.67 -42.96 0.32 0.00 99.68 0.03 0.02 0.20 99.64 0.11 0.00 0.00 0.00 59 E H H 110.90 6.65 18.96 26.79 91.33 51.14 -62.88 -40.40 0.81 0.00 99.19 0.07 0.03 0.61 98.97 0.32 0.00 0.00 0.00 60 E H H 145.87 1.28 20.54 20.59 90.23 53.82 -64.98 -27.91 8.28 0.00 91.71 0.15 0.19 8.21 91.05 0.40 0.00 0.00 0.00 61 A C T 30.23 14.39 14.17 29.31 92.94 54.12 -85.88 -1.40 83.30 0.01 16.68 0.19 0.70 82.09 16.53 0.47 0.00 0.00 0.01 62 G C T 49.68 2.48 22.10 24.20 98.57 -98.95 91.23 9.50 99.69 0.01 0.30 0.58 0.89 98.35 0.14 0.03 0.00 0.01 0.00 63 A C C 10.76 22.49 9.97 31.67 121.77 136.50 -86.59 149.62 97.81 2.16 0.03 96.25 1.55 0.10 0.01 0.01 0.00 1.97 0.10 64 E E E 116.98 3.16 25.02 28.06 114.30 -130.14 -94.18 131.13 25.46 74.46 0.08 23.88 0.88 0.12 0.01 0.04 0.00 74.75 0.32 65 V E E 22.00 24.10 11.29 34.48 127.08 -170.53 -125.40 139.10 5.69 94.28 0.03 5.56 0.19 0.02 0.01 0.01 0.00 94.07 0.14 66 E E E 98.40 4.42 24.56 29.26 123.11 -170.25 -122.40 135.49 3.27 96.71 0.02 3.25 0.09 0.01 0.01 0.01 0.00 96.53 0.10 67 V E E 51.40 18.11 11.95 29.14 116.92 -147.62 -100.98 126.89 11.27 88.69 0.04 11.84 0.10 0.02 0.02 0.01 0.00 87.61 0.41 68 K C C 122.40 4.89 18.40 24.29 116.85 -168.67 -105.81 128.34 98.77 1.23 0.00 98.81 0.05 0.01 0.00 0.00 0.00 1.12 0.01