# 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 96.19 8.20 15.25 24.31 117.79 -165.39 -102.91 133.12 99.86 0.13 0.01 99.83 0.08 0.02 0.00 0.00 0.00 0.06 0.01 1 I C C 90.63 9.11 13.94 23.98 115.27 -147.00 -95.80 127.44 88.17 11.73 0.09 88.31 1.28 0.21 0.03 0.04 0.00 5.80 4.33 2 I C C 59.12 11.45 14.88 27.47 118.08 -154.88 -107.46 127.88 89.77 10.21 0.03 79.50 11.06 0.11 0.01 0.02 0.00 8.06 1.24 3 P C C 47.71 10.40 18.95 30.36 114.25 -114.37 -69.01 143.75 88.54 11.42 0.04 85.73 2.72 0.10 0.01 0.03 0.00 10.75 0.66 4 V E E 25.02 19.07 16.53 35.29 120.50 -157.33 -113.75 136.11 42.04 57.92 0.04 38.51 3.42 0.10 0.01 0.03 0.00 52.27 5.66 5 R E E 100.31 8.32 22.37 31.13 121.42 -143.75 -111.05 135.38 8.95 91.02 0.03 9.04 0.29 0.01 0.05 0.01 0.00 49.48 41.14 6 C C C 13.21 18.64 13.25 32.81 109.62 -115.24 -73.43 126.69 76.37 23.59 0.04 78.57 0.53 0.06 0.01 0.02 0.00 18.10 2.71 7 F C T 97.90 9.07 16.81 27.17 93.23 -144.21 -67.31 -27.75 99.76 0.08 0.16 0.18 2.41 97.23 0.00 0.11 0.00 0.04 0.02 8 T C T 83.04 5.64 16.81 23.16 99.41 43.45 -82.15 -39.94 99.84 0.03 0.13 0.04 1.24 98.62 0.00 0.08 0.00 0.02 0.01 9 C C T 69.55 4.92 15.40 21.45 101.54 18.92 -107.87 -13.41 99.82 0.03 0.14 0.19 1.94 97.73 0.00 0.11 0.00 0.02 0.01 10 G C C 39.48 7.50 13.86 22.81 95.42 -122.58 79.47 6.96 99.61 0.27 0.12 88.20 6.28 5.13 0.03 0.07 0.00 0.13 0.17 11 K C C 100.90 5.04 18.01 24.50 117.87 142.85 -77.47 143.47 93.55 6.35 0.10 88.70 5.07 0.21 0.04 0.05 0.00 4.08 1.85 12 V E B 65.97 11.97 17.08 29.51 110.50 -113.74 -76.66 128.01 3.82 96.11 0.07 3.52 0.17 0.02 0.10 0.01 0.00 29.06 67.12 13 I C C 29.98 17.59 15.84 33.48 102.69 174.54 -102.64 -9.60 66.56 29.54 3.90 58.48 5.57 2.16 1.50 1.99 0.00 28.28 2.03 14 G C G 21.68 13.40 17.61 30.80 109.60 76.60 33.43 -126.00 47.82 6.36 45.83 17.69 14.72 16.93 14.44 29.83 0.13 5.01 1.25 15 N H G 120.91 2.24 21.05 22.90 95.03 8.65 -73.24 -3.63 45.16 1.36 53.48 5.85 7.74 30.84 20.90 33.02 0.24 0.78 0.63 16 K H H 64.76 13.13 16.30 29.79 95.76 61.89 -92.32 0.17 37.30 0.58 62.12 6.69 3.79 25.50 33.27 30.11 0.08 0.32 0.26 17 W H H 39.79 20.48 13.93 33.94 92.49 102.96 -59.80 -42.42 1.65 0.01 98.34 0.59 0.19 0.75 97.50 0.97 0.00 0.00 0.00 18 D H H 93.90 2.98 21.54 24.60 91.53 52.24 -63.81 -40.11 0.33 0.00 99.67 0.05 0.02 0.19 99.48 0.26 0.00 0.00 0.00 19 Q H H 88.63 4.08 21.77 25.82 91.79 50.19 -65.14 -41.32 0.15 0.00 99.85 0.02 0.01 0.10 99.72 0.16 0.00 0.00 0.00 20 Y H H 16.69 19.96 15.99 36.07 91.95 49.52 -64.50 -42.81 0.11 0.00 99.89 0.01 0.01 0.07 99.86 0.05 0.00 0.00 0.00 21 L H H 40.11 12.58 18.57 31.97 91.45 51.48 -63.15 -41.32 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 22 D H H 83.19 1.90 22.37 22.42 91.51 50.78 -64.06 -41.11 0.26 0.00 99.73 0.01 0.01 0.21 99.66 0.10 0.00 0.00 0.00 23 L H H 28.37 10.04 15.72 28.01 91.56 51.03 -64.30 -41.25 0.62 0.00 99.38 0.04 0.03 0.49 99.10 0.35 0.00 0.00 0.00 24 L H H 37.61 15.54 12.73 28.38 92.35 52.05 -65.46 -38.31 2.68 0.00 97.32 0.18 0.13 2.23 96.64 0.81 0.00 0.00 0.00 25 Q H H 131.55 2.24 15.95 18.96 90.96 54.12 -67.28 -28.07 16.73 0.01 83.26 0.54 0.66 15.81 82.10 0.86 0.01 0.00 0.01 26 L C T 106.87 2.70 13.68 17.02 97.38 57.21 -85.28 -1.95 87.38 0.04 12.58 1.15 5.22 79.94 12.76 0.87 0.00 0.01 0.05 27 D C T 128.47 1.19 15.15 16.42 95.87 -111.35 58.78 39.08 99.53 0.02 0.45 8.35 3.07 88.24 0.22 0.09 0.00 0.01 0.01 28 Y C C 77.12 11.25 8.85 21.07 119.17 163.55 -87.79 145.46 99.57 0.31 0.12 97.78 1.70 0.11 0.06 0.02 0.00 0.09 0.24 29 T C C 81.51 2.05 20.02 20.70 119.90 -117.75 -79.60 159.64 99.48 0.27 0.25 99.03 0.43 0.11 0.17 0.02 0.00 0.06 0.18 30 E H H 95.91 13.12 12.99 26.08 92.19 -106.12 -57.93 -39.36 6.20 0.02 93.78 0.56 0.64 4.99 91.68 2.10 0.01 0.01 0.01 31 G H H 35.78 5.10 17.31 23.45 91.97 52.10 -62.92 -41.01 6.08 0.02 93.90 0.48 0.44 5.16 91.44 2.45 0.02 0.01 0.01 32 D H H 77.96 2.87 20.55 22.82 91.85 49.52 -66.28 -39.74 2.00 0.02 97.98 0.50 0.21 1.25 96.11 1.91 0.00 0.01 0.01 33 A H H 7.45 16.87 14.31 32.38 91.83 51.64 -63.47 -43.80 0.40 0.00 99.59 0.08 0.03 0.22 99.32 0.35 0.00 0.00 0.00 34 L H H 25.62 16.19 15.62 32.21 92.00 50.05 -63.96 -42.42 0.39 0.00 99.61 0.05 0.02 0.24 99.12 0.56 0.00 0.00 0.00 35 D H H 97.64 2.08 19.87 21.33 92.00 49.15 -64.40 -40.96 0.77 0.00 99.23 0.05 0.03 0.59 98.77 0.55 0.00 0.00 0.00 36 A H H 60.52 5.63 17.58 24.21 91.36 51.64 -65.92 -34.47 6.13 0.00 93.87 0.09 0.13 6.14 93.01 0.62 0.00 0.00 0.00 37 L C T 27.40 17.69 13.18 31.21 94.19 46.81 -88.96 -2.36 79.94 0.02 20.03 0.35 1.17 77.72 20.10 0.62 0.00 0.00 0.02 38 Q C T 133.32 2.38 21.31 23.63 94.19 -123.50 59.40 38.88 99.37 0.01 0.61 2.56 1.05 95.95 0.35 0.08 0.00 0.01 0.00 39 L C C 24.24 20.23 9.61 29.08 110.81 163.77 -89.09 117.10 98.48 0.41 1.11 97.21 0.93 0.69 0.49 0.27 0.00 0.14 0.27 40 V C C 101.45 3.37 19.41 23.36 100.66 169.58 -98.02 -17.13 97.43 0.62 1.95 86.50 8.51 2.47 1.17 0.59 0.00 0.22 0.52 41 R C S 98.83 8.67 15.46 25.32 115.09 83.73 -89.98 132.52 89.22 3.97 6.81 37.68 46.86 4.34 5.38 1.28 0.01 1.05 3.40 42 Y H H 116.47 8.43 16.97 26.30 94.94 -134.14 -63.65 -35.97 32.61 3.85 63.53 8.48 13.37 13.93 53.80 4.98 1.40 1.21 2.84 43 C H H 45.31 9.86 18.35 28.89 92.98 51.35 -65.27 -39.06 23.04 1.11 75.84 3.23 4.32 16.10 67.64 6.88 0.64 0.60 0.59 44 C H H 17.49 17.09 16.74 34.13 93.18 48.65 -68.40 -39.65 15.99 2.33 81.68 3.88 3.26 9.89 71.81 8.05 0.87 1.36 0.88 45 R H H 75.94 12.38 18.10 30.66 92.13 54.42 -64.05 -41.53 8.90 1.73 89.38 3.92 1.88 4.29 81.79 6.24 0.13 1.38 0.37 46 R H H 108.58 6.06 20.69 27.24 92.51 50.82 -65.80 -40.94 8.65 0.99 90.36 2.57 1.47 5.28 83.47 6.01 0.14 0.86 0.20 47 M H H 53.90 12.12 18.28 30.80 92.81 48.04 -67.59 -40.44 11.02 0.82 88.15 2.36 1.75 7.51 81.21 6.06 0.26 0.61 0.23 48 L H H 37.18 16.90 16.48 32.92 95.43 44.08 -75.04 -37.65 17.62 1.13 81.25 3.28 2.87 12.58 74.44 5.37 0.33 0.75 0.37 49 M H H 90.32 7.54 18.27 26.41 97.95 43.18 -84.60 -30.05 32.93 2.77 64.30 9.33 6.32 19.43 56.96 4.92 0.41 1.60 1.01 50 T C H 71.65 5.20 17.02 22.92 99.83 49.67 -86.16 -23.44 51.50 3.90 44.60 18.99 10.15 23.29 39.35 4.50 0.21 2.16 1.35 51 H C C 78.71 9.86 14.10 24.90 99.96 69.93 -83.59 17.07 59.66 2.47 37.87 39.55 5.47 13.55 35.20 3.91 0.01 1.33 0.98 52 V H H 63.37 8.39 14.19 24.01 95.26 102.41 -65.65 -39.16 22.88 0.49 76.63 15.12 3.49 4.81 74.12 2.07 0.01 0.22 0.16 53 D H H 86.03 3.10 16.64 20.06 93.79 54.28 -67.07 -38.38 11.95 0.24 87.81 6.42 1.66 4.21 85.55 1.96 0.01 0.13 0.07 54 L H H 75.35 5.38 14.76 21.51 93.62 51.81 -66.51 -39.95 5.26 0.13 94.61 2.40 0.79 2.32 92.31 2.06 0.01 0.08 0.04 55 I H H 70.14 6.39 13.71 21.73 92.53 50.55 -65.22 -41.26 2.57 0.07 97.37 1.10 0.38 1.18 95.58 1.70 0.00 0.04 0.02 56 E H H 99.70 3.34 14.66 18.93 92.36 51.02 -64.60 -40.27 2.72 0.05 97.23 0.88 0.34 1.51 94.90 2.32 0.01 0.03 0.01 57 K H H 117.62 2.86 14.19 17.82 92.62 50.55 -66.43 -39.13 4.41 0.05 95.54 0.92 0.44 2.97 92.60 3.01 0.01 0.03 0.02 58 L H H 88.85 4.62 12.82 18.81 93.34 50.69 -68.31 -37.23 6.99 0.05 92.96 1.08 0.69 5.03 89.80 3.35 0.02 0.02 0.02 59 L H H 100.47 3.56 12.66 17.50 94.85 54.48 -72.47 -25.05 27.60 0.23 72.16 3.83 3.03 20.68 68.01 4.15 0.07 0.10 0.14 60 N C T 105.35 2.73 13.22 16.76 99.70 53.92 -85.95 11.62 59.31 0.42 40.27 14.03 5.25 39.64 36.12 4.50 0.01 0.18 0.27 61 Y C C 113.67 6.97 9.67 18.19 104.76 120.44 -79.98 19.42 65.29 1.00 33.72 39.46 13.38 11.89 30.60 3.64 0.01 0.33 0.68 62 N C C 87.88 3.85 12.01 17.30 104.67 83.32 -83.41 27.24 64.07 0.49 35.44 51.72 5.77 4.72 35.42 1.95 0.00 0.18 0.25 63 T H H 80.12 3.28 11.84 16.51 95.61 61.80 -67.20 -36.65 23.76 0.42 75.82 12.15 4.50 8.46 68.51 5.98 0.02 0.21 0.17 64 L H H 102.03 2.49 11.75 15.18 94.18 53.78 -67.48 -37.57 18.77 0.49 80.75 8.91 3.58 7.56 72.82 6.64 0.03 0.29 0.16 65 E H H 107.25 3.06 10.70 15.16 94.65 53.07 -69.49 -35.71 19.46 0.71 79.83 11.26 3.54 6.21 71.83 6.49 0.02 0.43 0.22 66 K H H 125.95 2.83 10.13 14.33 95.48 56.50 -70.16 -32.81 25.62 0.78 73.60 14.67 4.88 7.78 67.80 4.15 0.02 0.40 0.29 67 S H H 78.69 2.08 9.65 12.81 98.59 54.13 -78.49 -21.10 35.84 0.71 63.45 17.67 7.01 12.34 59.00 3.32 0.03 0.31 0.33 68 D C H 111.11 1.88 8.62 11.78 101.59 62.19 -82.43 -1.07 50.64 0.74 48.63 23.10 10.41 17.96 44.59 3.24 0.03 0.29 0.40 69 N C C 118.46 2.14 7.65 11.37 103.62 80.34 -86.43 30.17 72.10 0.47 27.43 49.31 2.29 19.43 26.31 2.18 0.00 0.20 0.28 70 S C C 85.95 2.27 9.80 13.58 105.42 117.47 -85.09 61.12 99.85 0.03 0.12 99.51 0.14 0.25 0.08 0.01 0.00 0.01 0.01