# 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 110.37 4.74 10.89 17.06 110.60 -139.75 -82.67 123.38 99.92 0.02 0.06 99.82 0.07 0.06 0.03 0.00 0.00 0.01 0.00 1 A C C 71.84 2.73 9.47 13.56 102.74 -129.02 -74.05 -25.25 65.07 0.58 34.35 57.33 1.07 6.73 32.13 2.21 0.00 0.23 0.31 2 W H H 190.58 1.26 9.30 11.15 95.46 50.69 -68.03 -33.56 38.29 0.55 61.17 18.32 7.32 14.32 55.05 4.41 0.03 0.23 0.31 3 A H H 69.98 2.09 9.93 13.06 94.73 55.90 -68.48 -35.08 25.25 0.32 74.43 13.46 4.35 8.70 68.22 4.95 0.01 0.15 0.15 4 T H H 75.76 2.99 10.62 15.01 94.58 53.78 -68.84 -36.89 14.39 0.22 85.39 8.57 2.66 4.31 80.39 3.87 0.01 0.11 0.09 5 T H H 81.34 2.02 11.99 14.63 93.43 53.46 -66.50 -39.66 8.62 0.19 91.20 4.18 1.48 3.65 87.13 3.35 0.02 0.11 0.07 6 F H H 128.42 1.56 12.88 14.35 93.11 50.33 -66.25 -40.84 6.32 0.16 93.52 2.53 1.07 3.18 90.00 3.02 0.03 0.09 0.06 7 Y H H 119.87 3.02 11.85 16.10 93.49 49.37 -67.30 -39.36 7.38 0.21 92.40 2.97 1.26 3.81 89.09 2.62 0.05 0.11 0.09 8 N H H 83.67 3.44 12.15 16.96 93.42 51.92 -66.64 -37.73 10.54 0.20 89.26 2.85 1.59 6.86 85.91 2.52 0.08 0.10 0.10 9 V H H 88.26 1.89 13.26 15.33 93.58 50.20 -67.35 -40.58 12.58 0.17 87.25 1.39 1.66 10.26 83.54 2.77 0.20 0.07 0.10 10 F H H 124.75 2.31 12.97 15.75 94.87 44.89 -71.70 -39.02 21.57 0.31 78.12 1.68 2.78 18.02 73.05 3.71 0.43 0.13 0.20 11 V H H 82.83 4.08 11.47 16.96 97.47 40.82 -80.03 -31.70 32.90 0.58 66.52 3.79 4.79 24.90 59.74 5.72 0.41 0.27 0.37 12 K H H 133.67 2.45 12.58 16.00 95.19 62.14 -71.78 -28.90 45.55 1.03 53.42 8.31 9.21 29.19 45.73 6.18 0.27 0.47 0.62 13 R C H 148.91 2.37 12.35 15.50 106.57 49.37 -94.44 51.62 58.43 1.60 39.97 21.05 14.26 24.71 33.11 5.18 0.10 0.63 0.94 14 N H H 87.32 4.87 10.63 17.16 104.43 99.99 -77.20 -19.98 46.02 0.95 53.02 30.53 9.37 6.65 50.32 2.30 0.01 0.34 0.48 15 S H H 76.14 2.13 13.01 15.70 94.85 52.05 -66.30 -33.97 14.69 0.15 85.16 4.83 2.68 7.38 82.92 2.03 0.02 0.07 0.07 16 A H H 60.37 2.74 13.46 16.87 93.05 52.84 -66.14 -39.93 6.01 0.08 93.91 2.13 0.81 2.92 92.86 1.20 0.01 0.05 0.03 17 F H H 102.39 4.32 12.98 18.82 92.67 51.10 -65.68 -40.60 1.89 0.02 98.08 0.75 0.22 0.80 97.58 0.63 0.00 0.01 0.00 18 V H H 83.15 3.11 14.27 18.20 92.24 50.41 -64.91 -41.32 0.73 0.01 99.27 0.23 0.06 0.33 99.14 0.23 0.00 0.00 0.00 19 A H H 62.09 1.97 15.22 17.09 91.95 50.92 -64.47 -41.02 0.52 0.00 99.47 0.11 0.03 0.29 99.40 0.17 0.00 0.00 0.00 20 T H H 73.93 2.37 15.12 17.74 92.36 49.19 -65.43 -41.50 0.58 0.00 99.42 0.08 0.03 0.38 99.37 0.14 0.00 0.00 0.00 21 I H H 87.89 3.47 14.72 19.08 92.07 49.09 -64.64 -42.33 0.63 0.00 99.37 0.07 0.04 0.44 99.35 0.09 0.00 0.00 0.00 22 L H H 92.76 2.61 15.64 18.54 92.06 49.07 -64.67 -41.88 0.78 0.00 99.22 0.09 0.05 0.56 99.20 0.09 0.00 0.00 0.00 23 A H H 60.03 1.88 16.23 17.62 91.69 50.24 -63.86 -41.99 0.46 0.00 99.54 0.06 0.03 0.29 99.55 0.08 0.00 0.00 0.00 24 S H H 56.73 2.33 15.95 18.34 92.17 50.24 -64.52 -41.23 0.38 0.00 99.62 0.04 0.02 0.24 99.63 0.07 0.00 0.00 0.00 25 A H H 50.08 3.50 14.53 19.17 91.83 50.64 -63.69 -41.45 0.27 0.00 99.73 0.02 0.01 0.17 99.74 0.05 0.00 0.00 0.00 26 F H H 116.82 2.36 15.70 18.12 91.94 50.10 -64.74 -41.34 0.27 0.00 99.73 0.02 0.01 0.18 99.74 0.04 0.00 0.00 0.00 27 V H H 89.32 1.51 16.25 16.77 91.77 50.00 -63.97 -41.97 0.27 0.00 99.73 0.03 0.01 0.17 99.75 0.05 0.00 0.00 0.00 28 F H H 118.50 1.92 15.70 17.31 92.07 49.36 -64.77 -41.34 0.30 0.00 99.70 0.03 0.01 0.20 99.69 0.07 0.00 0.00 0.00 29 D H H 73.15 3.79 14.41 19.31 92.05 50.81 -64.26 -40.62 0.46 0.00 99.54 0.03 0.02 0.34 99.53 0.08 0.00 0.00 0.00 30 M H H 100.36 2.41 15.45 18.06 91.92 50.07 -64.66 -41.25 0.68 0.00 99.32 0.05 0.03 0.52 99.29 0.10 0.00 0.00 0.00 31 T H H 78.47 1.59 16.15 16.88 91.91 50.37 -64.29 -41.52 1.11 0.00 98.88 0.13 0.07 0.78 98.88 0.14 0.00 0.00 0.00 32 F H H 115.88 2.17 15.63 17.75 92.15 49.28 -65.19 -41.38 0.81 0.00 99.19 0.14 0.07 0.51 99.12 0.16 0.00 0.00 0.00 33 E H H 93.52 3.68 14.60 19.41 92.04 50.70 -64.39 -41.22 0.73 0.00 99.27 0.12 0.05 0.45 99.25 0.13 0.00 0.00 0.00 34 T H H 76.67 2.21 16.05 18.14 92.01 50.03 -64.92 -41.13 0.86 0.00 99.14 0.09 0.05 0.61 99.09 0.15 0.00 0.00 0.00 35 A H H 60.27 1.84 16.59 17.72 92.00 49.85 -64.55 -41.27 1.04 0.00 98.96 0.11 0.06 0.72 98.94 0.17 0.00 0.00 0.00 36 I H H 84.28 2.92 15.57 19.11 91.96 49.26 -64.69 -41.35 1.27 0.00 98.73 0.15 0.10 0.86 98.69 0.20 0.00 0.00 0.00 37 D H H 69.82 4.00 14.65 19.99 91.82 50.70 -64.37 -40.63 1.39 0.00 98.61 0.17 0.10 0.94 98.58 0.21 0.00 0.00 0.00 38 N H H 86.82 2.03 15.77 17.66 91.89 50.68 -64.15 -41.27 1.80 0.00 98.20 0.16 0.12 1.35 98.08 0.28 0.00 0.00 0.00 39 F H H 114.34 1.75 15.62 16.85 91.89 49.60 -64.10 -42.32 1.37 0.00 98.63 0.12 0.12 1.05 98.44 0.27 0.00 0.00 0.00 40 W H H 119.37 3.71 13.43 18.54 92.27 48.89 -64.95 -40.74 1.03 0.00 98.97 0.13 0.10 0.72 98.69 0.36 0.00 0.00 0.00 41 D H H 72.14 4.58 12.29 18.50 92.28 51.79 -65.04 -39.05 1.69 0.00 98.30 0.18 0.12 1.26 97.79 0.65 0.00 0.00 0.00 42 R H H 166.98 0.99 14.57 14.50 93.35 47.54 -68.45 -37.92 3.47 0.01 96.53 0.19 0.21 2.96 95.76 0.87 0.01 0.00 0.00 43 I H H 115.38 1.71 13.54 15.08 96.02 41.83 -78.94 -31.32 11.08 0.02 88.90 0.42 0.80 9.95 87.86 0.92 0.02 0.00 0.01 44 N C H 73.20 6.04 9.60 17.50 101.66 39.03 -103.71 13.21 53.85 0.41 45.74 9.17 6.53 37.47 44.33 2.04 0.03 0.13 0.29 45 A C T 72.99 3.97 10.38 16.35 107.79 142.74 -63.37 124.30 70.67 0.67 28.65 10.18 6.96 52.91 17.69 11.37 0.03 0.30 0.56 46 G C T 59.15 1.45 13.76 15.20 97.98 11.68 81.39 -3.83 70.04 0.33 29.63 6.88 9.24 53.73 13.99 15.69 0.02 0.14 0.31 47 K C T 125.11 3.25 12.13 16.70 105.14 89.79 -93.54 10.28 67.50 0.80 31.70 25.84 15.94 26.34 16.15 14.80 0.01 0.32 0.59 48 Q C C 89.73 5.32 12.05 18.73 103.69 100.41 -76.72 -18.31 57.39 1.60 41.01 35.42 12.86 10.03 34.36 5.68 0.02 0.58 1.05 49 W H H 136.29 4.98 11.94 18.47 94.24 59.13 -65.44 -37.48 11.38 0.16 88.45 4.62 2.06 5.43 80.94 6.78 0.02 0.09 0.06 50 K H H 130.02 1.71 14.66 16.33 92.53 54.09 -65.05 -39.37 6.75 0.06 93.18 1.57 0.82 4.17 85.64 7.72 0.01 0.04 0.02 51 D H H 77.76 2.42 13.92 16.89 92.56 50.50 -66.10 -39.05 7.77 0.07 92.16 1.73 0.90 4.91 83.41 8.97 0.01 0.04 0.02 52 I H H 74.15 4.46 12.40 18.59 93.09 49.74 -66.95 -39.61 8.85 0.13 91.02 2.80 1.36 5.01 86.29 4.39 0.02 0.07 0.05 53 R H H 123.90 3.34 13.24 17.87 91.90 54.24 -63.34 -40.71 4.31 0.06 95.62 1.56 0.55 2.24 91.83 3.76 0.01 0.04 0.02 54 H H H 117.84 1.72 13.81 15.49 92.04 50.89 -65.36 -38.51 4.51 0.05 95.44 1.14 0.47 2.82 90.72 4.81 0.01 0.03 0.01 55 K H H 126.24 1.91 13.45 15.62 92.29 51.33 -66.96 -39.02 5.25 0.06 94.68 1.45 0.68 3.07 90.11 4.62 0.01 0.04 0.02 56 Y H H 128.08 3.40 11.63 16.32 94.02 47.52 -70.30 -36.84 9.75 0.28 89.98 4.04 1.77 4.63 86.49 2.80 0.02 0.16 0.10 57 I H H 100.75 3.10 11.10 15.47 94.43 50.80 -70.77 -34.61 17.92 0.72 81.36 9.58 3.16 6.32 78.27 2.04 0.02 0.37 0.24 58 E H H 133.60 1.73 11.92 14.16 95.81 53.74 -71.72 -29.71 27.51 0.56 71.94 13.45 4.28 10.08 69.91 1.79 0.02 0.24 0.24 59 A H H 71.95 2.98 10.63 14.88 99.63 58.78 -75.12 -18.95 44.77 0.47 54.75 20.19 7.42 16.54 53.49 1.93 0.01 0.17 0.25 60 A C H 72.12 3.83 9.82 15.24 104.23 61.95 -79.33 53.36 66.82 0.52 32.66 28.36 13.44 24.16 30.92 2.61 0.01 0.19 0.31 61 G C C 50.18 3.13 10.64 15.16 109.12 48.88 -41.30 10.78 80.08 0.59 19.34 40.48 16.26 23.67 14.77 4.20 0.00 0.22 0.40 62 D C C 106.74 2.62 9.52 13.63 105.76 54.92 -84.42 46.12 73.99 0.67 25.34 42.94 16.17 15.10 18.18 6.87 0.00 0.26 0.47 63 D C C 104.39 2.53 8.81 12.86 105.89 99.77 -85.27 69.73 66.37 0.74 32.89 38.69 13.37 14.53 23.61 9.02 0.00 0.30 0.47 64 D C C 101.25 2.78 8.15 12.54 105.49 107.34 -84.95 35.77 58.03 0.84 41.13 36.76 9.81 11.70 29.14 11.73 0.01 0.38 0.48 65 E C H 134.89 2.25 7.97 11.75 102.16 86.61 -78.85 -5.18 52.43 0.90 46.67 30.75 8.97 13.40 32.22 13.72 0.01 0.42 0.50 66 D C C 113.88 1.73 7.57 10.71 103.34 70.29 -82.55 16.02 57.56 0.89 41.55 32.60 8.98 16.94 28.72 11.82 0.01 0.40 0.53 67 D C C 113.25 1.84 7.29 10.66 106.26 94.25 -85.15 62.42 75.53 0.56 23.90 60.00 2.78 14.10 16.07 6.42 0.00 0.28 0.35 68 E C C 145.05 2.03 9.64 13.15 107.57 108.10 -84.35 101.66 99.88 0.02 0.10 99.63 0.13 0.16 0.05 0.01 0.00 0.01 0.01