# 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 M C C 101.23 9.48 14.52 24.59 116.81 164.83 -98.42 134.51 99.92 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 G C C 40.32 6.74 13.41 21.34 118.97 108.12 -85.23 -173.60 93.07 5.62 1.31 88.89 1.61 3.01 0.62 0.42 0.00 3.79 1.67 2 N C C 118.26 2.74 14.53 18.33 106.07 -72.16 -91.68 51.55 88.38 9.10 2.52 65.35 17.51 5.45 1.44 1.15 0.00 5.86 3.23 3 I C C 61.60 14.11 10.27 24.17 111.51 136.86 -90.84 118.27 88.06 7.72 4.22 75.92 9.30 2.33 3.47 1.03 0.00 4.16 3.79 4 K C C 114.58 6.38 15.98 23.42 106.48 -125.68 -86.12 41.99 93.74 1.70 4.56 88.57 3.71 1.48 4.24 0.53 0.00 0.84 0.62 5 Q C C 77.89 10.22 13.24 24.23 106.46 70.91 -77.87 76.28 63.52 0.86 35.62 48.07 9.41 3.90 36.75 1.21 0.00 0.31 0.36 6 T H H 88.36 3.21 17.31 20.97 93.88 -112.98 -65.38 -37.12 10.14 0.08 89.79 4.06 2.20 3.64 89.28 0.76 0.00 0.02 0.03 7 F H H 89.97 7.56 18.58 26.90 92.97 50.88 -66.31 -40.75 5.37 0.07 94.57 1.97 0.82 2.53 93.88 0.73 0.00 0.03 0.02 8 I H H 12.78 20.96 15.57 36.35 92.58 49.20 -65.40 -42.28 2.35 0.04 97.61 1.09 0.30 0.94 97.20 0.44 0.00 0.02 0.01 9 K H H 70.19 13.29 19.83 32.84 91.69 51.73 -62.70 -42.24 0.96 0.01 99.03 0.43 0.09 0.35 98.99 0.12 0.00 0.00 0.00 10 R H H 125.12 2.86 25.39 27.37 91.73 49.46 -64.60 -41.70 0.55 0.00 99.45 0.17 0.04 0.26 99.47 0.06 0.00 0.00 0.00 11 T H H 22.29 13.25 22.02 35.99 91.48 49.05 -64.10 -42.48 0.33 0.00 99.67 0.08 0.02 0.16 99.70 0.03 0.00 0.00 0.00 12 A H H 2.34 25.20 17.33 42.94 90.84 51.03 -62.84 -43.15 0.13 0.00 99.87 0.02 0.01 0.06 99.89 0.01 0.00 0.00 0.00 13 R H H 103.63 8.94 23.82 32.81 91.48 50.93 -63.31 -41.11 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 14 E H H 88.22 3.70 24.56 27.81 91.54 49.96 -63.93 -42.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 15 L H H 8.99 19.32 17.74 37.65 91.86 49.30 -63.75 -42.98 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 16 F H H 32.04 19.06 15.64 34.28 91.71 50.18 -64.68 -39.31 0.19 0.00 99.81 0.01 0.00 0.16 99.69 0.14 0.00 0.00 0.00 17 D H H 109.64 1.63 19.91 20.86 92.30 49.87 -67.01 -36.22 1.72 0.00 98.28 0.02 0.03 1.80 97.93 0.22 0.00 0.00 0.00 18 R H H 138.07 3.54 17.64 21.71 96.08 41.14 -80.26 -30.81 4.04 0.00 95.96 0.03 0.15 4.08 95.58 0.15 0.00 0.00 0.00 19 Y C C 48.17 14.64 11.45 26.66 108.14 26.82 -128.82 52.28 98.05 0.10 1.85 67.25 27.78 2.75 1.82 0.23 0.00 0.02 0.16 20 P H G 68.11 11.75 12.22 24.90 93.08 151.64 -59.91 -33.55 39.57 0.06 60.37 2.12 1.48 31.29 1.05 64.02 0.00 0.03 0.02 21 D H G 125.48 0.94 18.93 18.43 90.62 57.14 -74.73 -12.32 43.30 0.03 56.66 0.47 1.64 38.03 0.93 58.90 0.00 0.01 0.02 22 K H G 86.04 10.42 17.32 28.28 97.24 54.61 -95.98 -10.78 40.87 0.20 58.93 4.69 4.51 26.54 1.20 62.89 0.00 0.11 0.06 23 F C C 18.38 23.73 10.72 33.68 118.66 92.05 -90.37 134.48 94.28 4.13 1.60 75.90 14.99 1.58 0.59 0.96 0.00 1.05 4.93 24 T C C 45.67 7.45 21.56 29.72 134.96 174.59 -136.17 165.29 98.36 1.45 0.19 96.01 2.06 0.46 0.07 0.08 0.00 0.57 0.76 25 R C S 154.98 7.27 17.45 26.08 94.17 -122.84 -81.00 -7.45 99.81 0.15 0.05 5.42 93.53 0.93 0.01 0.02 0.00 0.05 0.04 26 D C S 78.72 4.06 20.07 24.83 111.24 93.45 -88.80 119.05 99.02 0.79 0.19 42.46 56.22 0.24 0.13 0.03 0.00 0.12 0.80 27 F H H 47.38 19.00 12.05 30.64 93.32 -153.40 -61.70 -38.21 2.29 0.00 97.70 0.26 0.50 1.41 97.51 0.32 0.00 0.00 0.00 28 E H H 120.56 2.66 20.37 23.03 91.71 53.70 -63.40 -41.70 1.20 0.00 98.80 0.05 0.08 1.07 98.43 0.36 0.00 0.00 0.00 29 H H H 87.88 3.99 20.95 25.02 91.99 47.19 -65.74 -41.01 0.48 0.00 99.52 0.03 0.03 0.37 99.21 0.36 0.00 0.00 0.00 30 N H H 8.17 21.30 14.42 36.08 91.30 51.49 -62.64 -43.09 0.10 0.00 99.90 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 31 K H H 65.96 14.39 19.89 33.75 91.64 51.34 -63.09 -41.49 0.06 0.00 99.94 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 32 K H H 120.85 1.85 25.11 25.07 91.73 50.21 -64.29 -41.87 0.05 0.00 99.95 0.00 0.00 0.04 99.93 0.03 0.00 0.00 0.00 33 M H H 40.22 11.13 20.65 32.79 91.95 49.06 -64.69 -42.12 0.10 0.00 99.90 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 34 V H H 4.06 24.63 14.08 38.96 91.35 50.55 -63.54 -42.28 0.14 0.00 99.86 0.01 0.01 0.09 99.81 0.08 0.00 0.00 0.00 35 A H H 53.03 9.13 18.03 27.87 91.25 53.93 -65.22 -30.41 0.75 0.00 99.25 0.02 0.02 0.68 98.93 0.35 0.00 0.00 0.00 36 E H H 138.60 1.61 20.72 21.28 92.75 52.46 -73.47 -28.22 4.06 0.00 95.94 0.04 0.09 4.24 95.15 0.48 0.00 0.00 0.00 37 L H H 62.33 11.97 15.49 27.92 102.06 32.09 -101.69 -22.24 13.10 0.01 86.89 0.26 0.83 11.97 86.53 0.39 0.01 0.00 0.01 38 T C S 25.60 17.00 12.83 29.63 137.04 23.53 -140.71 159.34 85.01 1.23 13.76 22.45 43.40 16.91 14.62 1.17 0.01 0.29 1.15 39 N C C 123.18 1.69 21.41 22.24 103.69 -121.23 -86.12 84.72 99.13 0.50 0.37 74.42 13.40 11.33 0.10 0.22 0.00 0.24 0.28 40 V C C 22.16 20.99 8.15 27.64 114.37 154.17 -90.72 126.40 99.42 0.39 0.20 96.85 2.21 0.38 0.09 0.06 0.00 0.13 0.28 41 T C C 107.64 1.69 18.87 20.32 98.35 -171.06 -93.42 -14.14 99.79 0.15 0.06 74.49 24.94 0.38 0.02 0.03 0.00 0.05 0.09 42 S C C 45.84 6.04 15.43 23.05 124.79 61.91 -112.72 151.60 98.30 1.04 0.65 53.79 43.92 0.32 0.53 0.08 0.00 0.14 1.21 43 K H H 133.24 5.21 14.49 21.60 92.34 -127.32 -61.89 -35.27 1.32 0.00 98.68 0.15 0.25 0.76 98.58 0.26 0.00 0.00 0.00 44 T H H 86.12 2.38 19.47 21.63 91.99 55.37 -63.71 -41.22 0.78 0.00 99.22 0.06 0.06 0.55 99.01 0.30 0.00 0.00 0.00 45 I H H 25.94 14.90 16.21 31.90 92.11 48.14 -65.46 -41.85 0.26 0.00 99.74 0.03 0.02 0.16 99.52 0.26 0.00 0.00 0.00 46 R H H 49.57 17.73 16.14 33.42 91.21 51.97 -61.69 -42.94 0.09 0.00 99.91 0.01 0.00 0.05 99.87 0.06 0.00 0.00 0.00 47 N H H 83.96 4.51 23.46 27.97 91.57 50.04 -64.91 -39.85 0.24 0.00 99.76 0.02 0.01 0.18 99.70 0.10 0.00 0.00 0.00 48 R H H 107.48 6.93 24.35 31.54 92.03 49.14 -65.46 -41.32 0.54 0.00 99.46 0.02 0.02 0.46 99.36 0.13 0.00 0.00 0.00 49 I H H 7.51 23.21 19.73 42.73 92.64 47.60 -65.49 -42.75 1.42 0.00 98.57 0.05 0.08 1.22 98.48 0.17 0.00 0.00 0.00 50 A H H 20.05 16.36 22.08 38.08 91.54 52.59 -62.00 -42.41 7.29 0.01 92.70 0.36 0.39 6.30 92.43 0.50 0.01 0.00 0.01 51 G H H 30.87 4.72 25.73 30.66 91.47 50.38 -63.45 -41.69 14.02 0.01 85.96 0.59 0.56 12.46 85.70 0.67 0.01 0.00 0.01 52 Y H H 53.03 12.84 23.43 36.44 91.95 50.38 -64.95 -42.57 4.06 0.02 95.92 0.74 0.48 2.56 95.68 0.52 0.00 0.00 0.01 53 I H H 13.35 21.71 20.00 41.47 91.79 49.00 -64.73 -43.45 1.51 0.01 98.48 0.40 0.19 0.77 98.43 0.21 0.00 0.00 0.00 54 T H H 46.65 8.71 22.76 32.05 91.60 49.82 -63.95 -42.29 0.76 0.00 99.24 0.21 0.07 0.34 99.23 0.15 0.00 0.00 0.00 55 R H H 112.81 4.10 23.92 27.78 91.73 49.61 -64.75 -41.72 0.67 0.00 99.32 0.14 0.06 0.35 99.30 0.15 0.00 0.00 0.00 56 L H H 25.97 14.21 18.40 33.46 91.90 50.01 -64.70 -42.08 0.67 0.00 99.33 0.14 0.06 0.35 99.31 0.15 0.00 0.00 0.00 57 V H H 34.06 11.73 17.48 30.38 91.94 50.23 -63.95 -41.92 0.95 0.01 99.04 0.22 0.09 0.47 99.04 0.17 0.00 0.00 0.00 58 R H H 123.82 2.72 19.28 21.69 92.12 50.25 -64.71 -40.90 2.17 0.03 97.81 0.57 0.22 1.12 97.78 0.28 0.00 0.01 0.00 59 M H H 70.74 5.45 14.65 21.87 92.63 50.20 -65.89 -39.88 4.05 0.06 95.89 1.35 0.49 1.97 95.64 0.51 0.00 0.03 0.02 60 K H H 96.31 7.64 12.71 21.65 92.93 51.84 -66.44 -38.37 7.08 0.09 92.84 2.18 0.85 3.70 92.43 0.76 0.01 0.04 0.03 61 E H H 131.03 2.44 12.77 16.13 92.93 51.67 -68.40 -30.81 15.02 0.11 84.87 3.06 1.84 9.39 84.69 0.92 0.02 0.04 0.05 62 E H H 134.02 1.64 11.76 13.84 95.68 50.29 -82.40 -8.46 46.12 0.18 53.71 4.86 5.43 33.88 54.37 1.27 0.02 0.06 0.11 63 G C T 56.34 2.37 11.47 15.37 97.75 -106.00 76.35 10.95 80.29 0.30 19.42 15.76 11.92 51.60 18.29 2.14 0.00 0.11 0.19 64 K C C 122.30 3.97 10.18 16.14 114.42 134.44 -89.72 135.22 88.03 1.55 10.42 56.02 16.37 15.55 7.02 3.47 0.00 0.77 0.80 65 I C C 110.92 5.13 10.07 17.03 112.01 -132.25 -89.61 127.00 92.94 2.43 4.63 85.85 2.04 5.48 2.96 1.11 0.00 1.26 1.30 66 L C C 90.15 8.78 11.92 21.60 109.66 -139.51 -85.06 121.68 99.95 0.04 0.01 99.91 0.04 0.02 0.00 0.00 0.00 0.02 0.00