# 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 K C C 132.34 4.86 13.84 20.19 113.43 -147.18 -87.75 130.17 99.83 0.05 0.12 99.71 0.10 0.08 0.07 0.01 0.00 0.02 0.01 1 E C C 115.94 5.81 11.86 19.26 111.83 -135.53 -86.15 132.55 71.62 0.84 27.53 63.63 1.16 5.91 26.98 1.57 0.00 0.36 0.40 2 S C H 57.83 5.11 12.73 19.23 116.38 -137.05 -85.58 155.06 56.14 0.77 43.09 41.42 5.02 8.30 42.46 2.10 0.00 0.29 0.40 3 Y H H 111.29 9.37 13.80 23.92 94.06 -109.14 -64.74 -34.69 14.97 0.15 84.88 6.69 2.55 5.87 82.79 1.96 0.01 0.06 0.08 4 S H H 40.24 10.74 14.88 26.46 92.84 56.68 -65.36 -38.18 8.10 0.08 91.81 3.09 1.16 3.83 90.35 1.48 0.01 0.04 0.03 5 V H H 64.96 5.35 17.33 23.62 92.49 52.06 -65.52 -41.14 2.87 0.03 97.10 0.82 0.34 1.61 96.57 0.63 0.00 0.01 0.01 6 Y H H 98.46 5.73 18.74 25.28 92.06 51.20 -64.60 -42.42 0.88 0.01 99.12 0.23 0.08 0.45 99.07 0.16 0.00 0.00 0.00 7 V H H 31.68 13.21 17.10 31.12 92.04 49.87 -63.94 -42.84 0.26 0.00 99.74 0.05 0.02 0.14 99.75 0.05 0.00 0.00 0.00 8 Y H H 71.68 11.76 17.70 30.05 91.98 50.41 -63.90 -41.76 0.12 0.00 99.88 0.02 0.00 0.07 99.88 0.03 0.00 0.00 0.00 9 K H H 105.49 3.55 21.14 24.39 91.79 50.44 -64.37 -41.45 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 10 V H H 49.16 6.89 18.76 27.02 91.87 49.31 -64.28 -42.33 0.24 0.00 99.76 0.02 0.01 0.17 99.76 0.04 0.00 0.00 0.00 11 L H H 24.19 14.54 14.23 29.83 91.75 50.39 -64.20 -40.56 0.37 0.00 99.63 0.03 0.02 0.26 99.58 0.11 0.00 0.00 0.00 12 K H H 101.31 7.50 15.41 24.02 92.04 53.06 -64.65 -36.90 1.63 0.00 98.37 0.08 0.07 1.40 98.11 0.34 0.00 0.00 0.00 13 Q H H 128.52 1.49 17.18 17.92 93.16 49.90 -68.98 -36.96 4.52 0.00 95.48 0.13 0.19 4.15 95.18 0.34 0.00 0.00 0.00 14 V H H 78.88 5.61 14.48 21.19 98.68 37.40 -85.06 -33.60 8.37 0.02 91.60 0.34 1.02 6.82 91.57 0.20 0.02 0.00 0.02 15 H C C 66.87 9.25 10.17 20.95 111.69 24.07 -132.65 69.77 99.14 0.22 0.64 61.49 36.62 0.94 0.56 0.10 0.00 0.05 0.24 16 P C T 92.34 4.58 11.00 17.99 94.70 165.51 -63.09 -26.69 84.45 0.22 15.33 13.11 6.15 64.73 3.04 12.72 0.00 0.11 0.14 17 D C T 131.04 0.56 14.21 13.08 95.39 54.28 -82.92 -0.44 81.12 0.20 18.69 6.08 8.46 65.91 4.52 14.77 0.00 0.10 0.16 18 T C S 60.99 8.62 10.71 20.53 100.24 85.27 -91.45 -2.02 81.74 0.61 17.65 28.65 32.02 21.48 5.70 11.31 0.00 0.22 0.62 19 G C C 41.13 4.02 16.46 21.39 108.06 -122.62 80.33 11.48 88.14 1.02 10.83 48.82 24.80 14.73 7.56 2.94 0.00 0.37 0.78 20 I C C 61.08 13.18 12.03 25.31 102.04 95.07 -86.07 29.57 67.19 1.39 31.42 50.45 9.56 6.07 30.26 2.32 0.00 0.48 0.85 21 S H H 56.24 6.28 15.41 22.84 97.15 97.71 -67.52 -44.55 31.63 0.36 68.01 21.87 4.87 5.26 65.87 1.81 0.00 0.13 0.18 22 S H H 82.01 1.77 17.12 18.51 93.43 40.20 -66.87 -38.14 6.49 0.05 93.46 2.03 1.19 3.27 91.82 1.64 0.01 0.02 0.02 23 K H H 129.30 2.20 17.89 19.93 92.55 49.22 -66.93 -40.26 3.73 0.04 96.24 1.08 0.52 2.07 94.93 1.37 0.00 0.02 0.01 24 A H H 20.16 12.86 13.61 27.73 92.27 50.14 -65.27 -41.77 2.20 0.02 97.78 0.67 0.25 1.14 97.13 0.80 0.00 0.01 0.00 25 M H H 74.42 8.70 16.48 26.22 91.91 52.20 -63.45 -41.15 0.83 0.00 99.17 0.22 0.08 0.40 99.04 0.25 0.00 0.00 0.00 26 G H H 38.70 2.28 19.44 20.92 91.68 51.18 -63.67 -41.81 0.81 0.00 99.19 0.15 0.05 0.48 99.13 0.19 0.00 0.00 0.00 27 I H H 83.32 4.27 19.11 23.83 91.96 48.95 -65.08 -41.93 0.57 0.00 99.43 0.10 0.04 0.34 99.39 0.14 0.00 0.00 0.00 28 M H H 50.79 12.66 15.87 29.22 91.91 50.24 -64.34 -41.82 0.48 0.00 99.52 0.09 0.03 0.27 99.50 0.11 0.00 0.00 0.00 29 N H H 78.71 5.75 18.40 24.96 91.76 50.99 -63.88 -40.38 0.70 0.00 99.30 0.11 0.04 0.43 99.29 0.13 0.00 0.00 0.00 30 S H H 62.45 2.11 19.79 20.77 91.88 50.57 -65.05 -41.25 0.93 0.00 99.07 0.10 0.05 0.64 99.05 0.16 0.00 0.00 0.00 31 F H H 86.74 6.64 18.24 25.87 92.12 49.56 -65.11 -41.95 0.86 0.00 99.13 0.12 0.05 0.57 99.10 0.16 0.00 0.00 0.00 32 V H H 43.04 11.29 16.05 28.36 91.95 50.19 -64.23 -42.11 0.63 0.00 99.37 0.12 0.05 0.36 99.37 0.10 0.00 0.00 0.00 33 N H H 83.38 3.39 19.08 22.63 91.80 50.74 -64.14 -40.81 0.74 0.00 99.26 0.13 0.04 0.44 99.30 0.10 0.00 0.00 0.00 34 D H H 78.23 2.50 19.55 21.39 91.98 50.23 -64.98 -41.04 0.77 0.00 99.23 0.12 0.04 0.49 99.25 0.10 0.00 0.00 0.00 35 I H H 52.88 9.48 17.05 27.72 92.02 50.20 -64.68 -42.46 0.41 0.00 99.59 0.05 0.02 0.25 99.59 0.08 0.00 0.00 0.00 36 F H H 80.89 10.00 16.85 27.55 91.74 50.64 -63.87 -41.48 0.25 0.00 99.75 0.03 0.01 0.15 99.74 0.08 0.00 0.00 0.00 37 E H H 118.06 2.19 19.91 21.50 91.80 50.19 -64.75 -41.00 0.33 0.00 99.67 0.04 0.01 0.22 99.63 0.10 0.00 0.00 0.00 38 R H H 127.54 3.34 19.64 22.95 92.10 49.06 -65.37 -41.24 0.78 0.00 99.22 0.07 0.04 0.56 99.16 0.17 0.00 0.00 0.00 39 I H H 43.43 12.55 16.44 29.74 92.37 47.84 -65.75 -41.57 1.66 0.01 98.33 0.22 0.13 1.11 98.31 0.23 0.00 0.00 0.00 40 A H H 45.82 7.08 17.87 26.10 91.73 51.17 -63.26 -41.21 3.28 0.01 96.71 0.56 0.27 2.10 96.62 0.43 0.00 0.01 0.00 41 G H H 37.73 2.36 20.56 21.98 92.12 50.32 -64.15 -42.48 7.58 0.03 92.38 1.18 0.69 5.28 92.02 0.80 0.01 0.01 0.01 42 E H H 83.33 6.15 19.66 26.46 92.30 49.02 -66.10 -40.64 5.24 0.03 94.73 1.27 0.64 3.07 93.90 1.09 0.01 0.01 0.01 43 A H H 25.96 13.01 15.18 29.13 92.20 52.32 -63.97 -40.63 3.70 0.03 96.27 1.10 0.42 1.96 94.61 1.88 0.00 0.01 0.01 44 S H H 59.40 3.92 19.24 23.50 91.87 51.67 -64.51 -39.59 4.95 0.04 95.01 1.14 0.50 3.09 92.06 3.17 0.01 0.03 0.01 45 R H H 136.19 2.19 19.68 21.10 92.43 50.23 -66.05 -39.60 6.81 0.08 93.11 1.25 0.75 4.69 89.46 3.75 0.02 0.05 0.02 46 L H H 53.23 8.63 15.08 25.29 93.05 50.33 -67.28 -38.10 9.38 0.20 90.42 2.30 1.26 5.80 85.66 4.77 0.03 0.12 0.06 47 A H H 40.79 8.68 12.82 23.05 93.35 56.21 -66.44 -34.41 21.31 0.46 78.23 4.98 2.38 13.80 72.27 6.06 0.06 0.27 0.18 48 H H H 132.81 2.12 14.66 17.04 95.56 54.27 -73.36 -23.63 35.41 0.69 63.90 7.09 4.07 24.36 57.54 6.17 0.09 0.37 0.32 49 Y H H 151.95 2.75 12.45 16.18 99.30 52.89 -81.13 -21.95 48.98 1.18 49.84 12.19 10.78 27.35 43.24 5.12 0.15 0.52 0.65 50 N C T 88.52 5.49 10.36 17.36 107.41 45.55 -99.28 72.93 69.82 1.03 29.15 23.48 14.07 32.38 24.63 4.38 0.02 0.42 0.61 51 K C T 160.68 2.07 11.59 15.10 97.74 -140.57 -49.49 5.54 79.44 0.77 19.79 23.24 20.03 36.76 12.52 6.59 0.01 0.31 0.54 52 R C C 158.22 2.91 11.83 16.07 109.18 83.53 -93.51 85.18 81.30 1.44 17.26 35.18 20.60 26.22 8.50 7.96 0.01 0.63 0.89 53 S C C 67.36 6.57 11.32 19.30 108.77 103.39 -89.05 92.51 85.71 3.04 11.26 50.33 20.98 14.83 4.43 6.52 0.00 1.70 1.20 54 T C C 90.15 4.58 15.47 21.34 115.29 80.79 -103.38 131.95 83.53 9.36 7.10 58.19 16.94 8.51 3.57 3.67 0.01 6.37 2.74 55 I C C 40.22 17.02 10.21 26.79 118.52 -149.30 -103.72 131.38 87.35 10.86 1.79 74.41 11.93 0.80 1.60 0.47 0.00 6.08 4.71 56 T C C 65.20 3.60 20.48 23.78 123.01 -138.70 -87.51 162.86 94.19 4.30 1.51 93.06 1.46 0.35 1.35 0.18 0.00 2.43 1.17 57 S H H 58.02 11.24 13.13 24.93 91.94 -106.38 -59.12 -38.57 2.66 0.01 97.33 0.76 0.46 1.23 97.14 0.41 0.00 0.00 0.00 58 R H H 155.65 1.98 18.39 20.30 91.80 53.77 -64.08 -39.73 0.91 0.00 99.09 0.15 0.09 0.55 98.90 0.31 0.00 0.00 0.00 59 E H H 81.13 8.00 18.52 27.24 91.86 49.55 -66.11 -40.66 0.37 0.00 99.63 0.08 0.03 0.20 99.38 0.31 0.00 0.00 0.00 60 I H H 17.23 20.02 15.59 35.53 91.99 50.12 -64.17 -43.08 0.16 0.00 99.84 0.03 0.01 0.08 99.78 0.09 0.00 0.00 0.00 61 Q H H 68.14 11.42 20.21 31.72 91.31 50.80 -62.85 -41.46 0.20 0.00 99.80 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 62 T H H 62.86 3.92 23.37 26.97 91.74 49.67 -64.65 -41.79 0.38 0.00 99.62 0.04 0.02 0.27 99.58 0.10 0.00 0.00 0.00 63 A H H 18.26 13.78 19.75 34.35 91.77 50.92 -64.08 -42.09 0.60 0.00 99.40 0.05 0.03 0.45 99.16 0.31 0.00 0.00 0.00 64 V H H 14.25 20.72 18.06 38.41 91.81 50.19 -64.29 -41.40 0.90 0.00 99.09 0.07 0.05 0.71 97.89 1.28 0.00 0.00 0.00 65 R H H 113.80 9.55 20.67 30.41 91.14 53.68 -64.31 -34.38 2.84 0.01 97.15 0.16 0.13 2.44 94.14 3.11 0.00 0.00 0.00 66 L H H 90.33 6.26 21.23 27.70 91.99 54.48 -70.15 -29.09 13.03 0.01 86.96 0.32 0.45 12.57 84.15 2.48 0.01 0.01 0.01 67 L H H 49.85 14.71 17.53 32.01 96.43 47.38 -89.66 -20.44 28.42 0.08 71.50 1.36 2.81 24.15 69.94 1.60 0.06 0.02 0.06 68 L C S 32.39 18.29 12.20 30.08 115.17 74.03 -100.27 123.25 98.53 0.31 1.16 19.47 77.62 1.37 1.09 0.13 0.00 0.07 0.25 69 P C C 79.68 4.99 16.59 22.54 114.10 -126.67 -68.99 146.38 91.74 0.39 7.87 68.35 12.47 10.59 6.29 1.82 0.00 0.15 0.33 70 G H H 44.23 2.97 17.01 20.41 120.42 18.77 77.71 -154.25 37.57 0.45 61.97 9.71 14.41 15.26 54.24 5.85 0.08 0.16 0.31 71 E H H 132.19 2.78 16.90 20.16 93.63 -24.90 -66.27 -35.04 12.17 0.18 87.65 3.05 2.19 7.07 78.90 8.56 0.05 0.10 0.07 72 L H H 55.47 10.88 14.84 26.78 92.09 54.32 -64.84 -39.18 6.50 0.19 93.30 2.36 0.96 3.26 84.50 8.72 0.02 0.14 0.04 73 A H H 22.23 14.41 13.59 28.73 92.01 53.56 -64.32 -39.39 4.73 0.15 95.12 1.89 0.65 2.16 86.90 8.24 0.01 0.12 0.03 74 K H H 127.12 3.32 20.07 23.78 92.49 51.54 -66.45 -37.79 9.21 0.30 90.49 2.38 1.21 5.63 82.18 8.27 0.04 0.23 0.07 75 H H H 93.16 5.59 18.93 25.14 94.64 50.37 -72.20 -31.47 16.49 0.67 82.84 4.62 2.41 9.92 75.24 7.08 0.08 0.47 0.19 76 A H H 26.18 14.87 14.32 29.47 95.50 66.81 -66.76 -38.43 24.42 2.68 72.89 13.20 4.68 8.38 66.10 5.11 0.08 1.77 0.69 77 V H H 69.64 9.77 16.84 26.94 95.41 50.92 -70.22 -35.50 29.84 4.67 65.49 16.80 5.21 9.59 58.65 5.22 0.11 3.35 1.07 78 S H H 66.64 4.01 17.34 21.77 98.00 57.45 -73.90 -31.47 39.27 3.42 57.31 18.29 7.58 14.99 50.23 5.56 0.14 2.19 1.03 79 E C T 112.62 5.73 16.24 22.78 98.02 44.98 -75.56 -20.23 61.30 0.85 37.85 9.52 10.32 40.25 33.60 5.41 0.06 0.40 0.44 80 G C T 33.20 10.26 15.13 25.67 99.16 32.51 -14.94 -25.71 71.54 0.70 27.76 16.69 12.88 41.60 23.35 4.79 0.02 0.32 0.35 81 T C C 60.79 10.16 15.07 25.81 97.85 68.51 -75.18 -28.83 55.96 2.52 41.52 38.73 9.32 7.84 37.22 4.69 0.01 1.42 0.77 82 K H H 115.45 5.00 18.63 24.22 96.29 69.89 -69.43 -31.98 41.27 5.11 53.62 29.14 6.75 6.84 47.20 5.35 0.03 3.63 1.07 83 A H H 39.51 9.83 15.59 26.52 94.81 59.02 -67.54 -36.23 29.31 6.19 64.51 21.33 4.70 5.26 56.25 6.32 0.03 5.24 0.86 84 V H H 55.61 11.88 14.64 26.90 94.76 54.99 -70.34 -36.79 23.34 6.87 69.79 17.14 3.72 4.52 60.98 6.53 0.04 6.26 0.81 85 T H H 72.18 6.00 15.58 22.63 95.37 56.63 -72.14 -33.67 25.17 5.65 69.18 17.83 3.92 5.30 60.59 6.53 0.04 5.01 0.77 86 K H H 126.70 3.65 15.41 19.92 96.59 55.64 -73.67 -26.43 30.40 4.24 65.36 18.86 5.32 8.18 57.40 6.11 0.06 3.29 0.79 87 Y H H 114.60 8.44 11.14 20.55 100.95 59.30 -84.75 -11.98 37.83 3.10 59.07 21.83 7.00 10.81 52.89 4.63 0.05 1.96 0.82 88 T C H 84.29 5.56 10.73 17.80 105.62 71.89 -90.18 20.38 49.70 2.56 47.74 27.99 8.35 13.90 44.37 3.12 0.04 1.39 0.83 89 S C C 83.35 2.69 10.12 14.33 104.65 84.37 -84.84 35.58 72.22 1.26 26.53 50.61 2.65 17.28 26.29 1.94 0.00 0.64 0.58 90 A C C 80.73 3.50 11.50 16.58 104.56 73.20 -84.75 21.93 99.89 0.04 0.07 99.69 0.10 0.13 0.05 0.00 0.00 0.02 0.01