# 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 126.31 4.46 11.56 17.37 113.76 -152.30 -94.13 129.02 99.73 0.24 0.02 99.67 0.13 0.03 0.01 0.00 0.00 0.09 0.06 1 A C C 66.45 5.37 8.06 15.12 116.89 -122.03 -83.75 142.70 96.63 0.56 2.81 95.80 0.56 0.99 1.72 0.40 0.00 0.21 0.32 2 P C C 95.25 2.65 9.78 13.87 111.50 -105.03 -68.12 148.50 76.80 0.90 22.30 63.80 4.66 9.10 8.45 13.03 0.00 0.49 0.47 3 S C C 82.81 2.95 8.67 13.23 101.32 -108.67 -76.97 -4.17 52.68 1.73 45.58 31.44 8.05 13.24 14.17 31.40 0.01 0.92 0.77 4 A H G 81.47 2.64 8.93 13.04 102.81 65.38 -80.64 11.23 38.56 2.12 59.32 19.26 7.67 12.28 18.61 40.22 0.02 1.19 0.76 5 F H G 148.17 2.41 9.52 13.36 106.07 65.13 -87.43 71.13 43.28 3.12 53.59 21.26 8.81 14.00 19.90 33.06 0.05 1.77 1.15 6 L C C 103.62 4.35 8.82 14.93 108.20 78.74 -87.80 97.77 50.92 3.19 45.89 29.64 10.80 10.61 25.40 20.38 0.05 1.60 1.51 7 R H H 136.94 4.00 10.31 15.95 110.16 -132.91 -84.15 136.66 42.97 1.53 55.49 29.33 7.14 6.71 36.90 18.54 0.01 0.85 0.52 8 P H H 84.04 3.47 10.81 15.70 104.64 -114.27 -69.98 131.95 32.43 1.54 66.03 19.65 4.13 8.62 41.19 24.89 0.02 1.10 0.40 9 F H H 134.75 3.06 10.74 15.12 97.09 -85.60 -71.08 -30.13 20.88 1.10 78.03 9.63 3.37 7.62 48.40 29.89 0.03 0.75 0.29 10 W H H 153.78 3.77 10.59 15.85 95.66 58.66 -72.16 -27.86 14.63 0.57 84.80 6.06 2.28 5.90 56.02 29.19 0.02 0.40 0.14 11 K H H 128.56 3.49 10.61 15.65 95.16 62.11 -71.97 -27.38 15.82 0.43 83.74 3.64 2.11 8.80 53.89 31.10 0.05 0.29 0.12 12 L H H 119.22 2.55 10.59 14.17 97.18 56.16 -78.64 -15.41 24.51 0.67 74.82 4.03 3.23 15.01 49.13 27.77 0.16 0.40 0.27 13 L H H 118.04 2.73 10.13 14.22 101.99 56.97 -90.59 2.92 43.25 3.11 53.64 11.27 10.82 22.48 35.97 15.52 0.68 1.50 1.76 14 A C C 67.48 4.24 8.61 14.78 116.36 104.04 -87.26 139.31 83.68 4.17 12.15 39.82 38.17 6.36 8.02 3.74 0.03 1.92 1.95 15 P C C 106.26 2.25 10.10 13.82 112.52 -110.02 -70.96 145.07 79.07 6.33 14.60 57.80 11.04 9.91 6.41 8.36 0.01 4.01 2.46 16 A C C 78.87 3.99 8.03 14.02 113.95 -116.89 -82.38 139.04 78.56 8.17 13.27 54.69 13.83 9.88 4.84 8.58 0.02 4.94 3.23 17 R C C 178.20 1.69 9.75 12.86 113.41 -141.68 -93.76 129.90 83.63 7.94 8.44 54.63 20.97 8.22 3.08 5.31 0.01 4.61 3.18 18 F C C 143.66 3.52 7.90 13.33 117.32 -134.98 -98.80 133.35 91.52 5.39 3.09 62.38 25.76 3.66 1.29 1.79 0.00 3.09 2.03 19 P C C 105.39 2.60 8.99 13.27 107.57 -114.38 -72.05 133.80 89.14 3.45 7.41 54.94 16.02 18.41 2.38 4.94 0.00 2.17 1.15 20 S C C 80.35 2.78 9.05 13.47 115.38 -139.01 -101.92 128.98 83.18 5.12 11.69 47.98 18.01 17.40 4.57 6.95 0.01 2.70 2.38 21 V C C 110.58 3.24 8.74 13.59 101.73 -152.43 -83.87 -1.61 69.74 3.98 26.28 36.48 18.41 15.39 13.53 12.34 0.05 1.97 1.85 22 S C C 83.35 2.18 10.02 13.45 102.27 69.65 -78.72 -8.30 62.32 3.06 34.62 26.75 15.03 21.37 18.87 14.94 0.08 1.61 1.35 23 S C C 79.31 2.52 10.14 13.94 100.12 53.49 -78.98 -14.03 58.44 4.20 37.36 28.42 12.96 17.88 21.67 14.98 0.11 2.30 1.68 24 S C C 66.02 4.90 9.56 16.09 99.75 65.77 -76.42 -21.12 53.02 5.63 41.35 31.96 10.88 10.57 26.67 14.58 0.08 3.27 1.98 25 R C H 148.60 3.82 10.66 16.03 98.59 62.42 -78.92 -11.34 48.71 6.74 44.54 25.99 10.53 12.86 28.63 15.53 0.17 4.23 2.06 26 S C C 69.03 4.27 10.76 16.59 104.80 62.15 -83.43 46.47 52.19 6.37 41.44 31.59 8.86 11.61 26.12 15.68 0.07 4.27 1.79 27 K C H 135.19 3.49 11.76 16.62 101.20 64.53 -82.91 -1.54 50.32 8.72 40.96 25.43 11.64 13.93 25.75 14.92 0.24 6.04 2.04 28 F C C 125.56 5.54 10.18 17.25 109.75 60.62 -92.39 101.17 47.28 18.38 34.34 24.42 10.50 13.21 22.73 11.41 0.50 14.01 3.22 29 Y C C 148.17 4.17 11.32 17.03 111.87 105.20 -101.99 109.40 47.33 27.25 25.43 29.54 8.83 8.93 18.94 7.14 0.29 21.20 5.13 30 I C C 113.51 4.27 9.53 15.57 112.30 80.48 -96.28 112.12 63.15 20.73 16.12 40.57 12.72 9.40 12.56 4.57 0.11 16.44 3.63 31 Q C C 124.20 2.95 10.20 14.80 117.69 88.79 -104.54 139.04 80.20 12.38 7.42 47.53 23.30 9.87 4.72 2.91 0.03 8.89 2.75 32 E C C 139.80 2.45 10.27 14.47 115.70 -108.53 -88.36 136.67 96.76 2.91 0.34 53.15 43.23 0.91 0.14 0.16 0.00 1.55 0.86 33 P C C 84.28 4.49 9.08 15.42 114.43 -100.40 -67.46 147.91 98.63 0.74 0.63 82.75 12.76 3.13 0.17 0.45 0.00 0.42 0.31 34 P C C 104.00 2.79 9.13 13.61 106.35 -105.32 -70.42 130.83 95.51 1.01 3.47 68.92 10.71 15.38 0.61 3.27 0.00 0.54 0.56 35 H C C 148.02 2.03 8.01 11.54 105.16 118.27 -91.89 29.01 93.91 1.40 4.69 36.29 24.62 32.91 0.73 4.03 0.00 0.65 0.76 36 G C S 59.26 1.63 10.41 12.88 103.24 -8.66 -78.16 -0.87 95.18 1.19 3.63 22.83 45.53 26.78 0.49 3.18 0.00 0.59 0.60 37 S C S 84.59 1.93 11.39 14.50 115.52 34.47 -111.74 117.75 97.35 1.83 0.81 40.04 55.69 1.88 0.26 0.42 0.00 0.73 0.98 38 P C C 66.24 9.59 8.39 18.91 116.00 -120.24 -70.02 147.50 96.56 1.96 1.49 83.52 10.56 2.42 0.72 0.65 0.00 0.85 1.29 39 N C C 88.21 3.86 12.53 17.86 110.93 -120.48 -83.44 128.27 93.82 3.45 2.73 87.81 4.33 1.13 2.34 0.43 0.00 0.94 3.02 40 W H H 174.27 3.32 11.22 16.36 93.40 -140.45 -62.64 -35.21 7.63 0.05 92.32 1.67 1.43 4.64 90.67 1.52 0.02 0.02 0.03 41 L H H 116.26 1.46 14.20 15.25 92.32 54.87 -65.20 -39.64 4.97 0.03 95.01 0.63 0.51 3.76 93.34 1.72 0.02 0.01 0.01 42 K H H 100.99 4.69 14.28 20.25 92.92 48.80 -67.46 -38.84 2.56 0.03 97.41 0.55 0.29 1.67 95.78 1.68 0.01 0.01 0.01 43 V H H 54.64 7.89 13.16 22.75 92.03 51.50 -64.15 -42.34 0.67 0.01 99.32 0.17 0.08 0.38 98.88 0.49 0.00 0.00 0.00 44 G H H 35.58 3.18 17.04 20.68 91.71 50.69 -63.39 -42.12 0.73 0.01 99.26 0.12 0.06 0.48 98.89 0.44 0.00 0.00 0.00 45 L H H 90.23 2.93 18.02 20.96 92.25 49.61 -65.32 -41.11 1.28 0.01 98.71 0.14 0.09 0.96 98.16 0.63 0.00 0.00 0.00 46 T H H 49.43 7.51 16.02 25.01 92.15 50.44 -64.64 -41.94 1.66 0.01 98.33 0.22 0.14 1.16 98.01 0.46 0.00 0.00 0.00 47 L H H 86.41 4.75 18.34 23.71 92.00 49.43 -64.98 -41.20 1.38 0.00 98.61 0.20 0.11 0.94 98.53 0.21 0.00 0.00 0.00 48 G H H 36.45 2.78 18.79 21.29 92.07 50.67 -64.25 -42.18 1.28 0.00 98.71 0.21 0.10 0.83 98.69 0.16 0.00 0.00 0.00 49 T H H 61.02 4.28 18.07 23.08 92.16 49.81 -64.98 -41.71 0.82 0.00 99.18 0.18 0.08 0.48 99.14 0.11 0.00 0.00 0.00 50 S H H 42.16 6.36 16.56 24.39 92.00 51.23 -64.23 -41.62 0.44 0.00 99.56 0.09 0.04 0.26 99.55 0.06 0.00 0.00 0.00 51 A H H 56.61 2.87 17.90 20.74 91.74 50.52 -63.85 -42.17 0.19 0.00 99.81 0.03 0.01 0.12 99.81 0.03 0.00 0.00 0.00 52 F H H 117.05 2.13 17.78 19.33 91.66 50.00 -64.28 -41.91 0.16 0.00 99.84 0.02 0.01 0.10 99.85 0.03 0.00 0.00 0.00 53 L H H 80.91 4.16 16.02 21.11 91.73 50.30 -64.28 -41.84 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 54 W H H 134.35 3.43 16.18 20.37 91.75 50.52 -64.20 -41.42 0.10 0.00 99.90 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 55 I H H 93.23 2.00 16.82 18.33 91.46 50.21 -64.15 -41.66 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 56 Y H H 117.29 2.71 16.18 19.11 91.77 49.48 -64.58 -41.79 0.25 0.00 99.75 0.01 0.01 0.20 99.71 0.07 0.00 0.00 0.00 57 L H H 75.72 4.39 14.83 20.53 91.83 50.32 -64.37 -41.83 0.45 0.00 99.55 0.02 0.02 0.36 99.51 0.09 0.00 0.00 0.00 58 I H H 91.49 2.53 15.64 18.47 91.83 49.33 -64.43 -42.01 0.61 0.00 99.39 0.07 0.05 0.44 99.25 0.18 0.00 0.00 0.00 59 K H H 119.63 1.64 16.49 17.31 91.85 49.56 -65.14 -41.05 1.09 0.00 98.91 0.12 0.06 0.82 98.67 0.32 0.00 0.00 0.00 60 Q H H 92.64 2.89 15.70 19.04 92.30 48.84 -65.46 -40.60 2.79 0.01 97.20 0.23 0.19 2.23 96.85 0.48 0.00 0.00 0.00 61 H H H 93.05 4.18 14.55 19.95 92.44 49.69 -66.11 -40.23 8.45 0.02 91.52 1.05 0.73 6.21 91.45 0.54 0.00 0.01 0.01 62 N H H 87.58 2.43 15.74 18.36 92.10 50.74 -65.28 -39.95 6.15 0.02 93.83 1.76 0.59 3.25 93.90 0.48 0.00 0.01 0.01 63 E H H 108.96 1.78 16.71 17.72 92.57 50.27 -65.42 -41.06 1.11 0.00 98.89 0.18 0.10 0.67 98.83 0.22 0.00 0.00 0.00 64 D H H 72.96 3.27 15.40 19.45 92.43 50.16 -65.23 -40.75 1.01 0.00 98.99 0.16 0.08 0.64 98.86 0.25 0.00 0.00 0.00 65 V H H 72.00 3.56 14.85 19.46 92.13 49.90 -64.38 -41.57 0.61 0.00 99.39 0.07 0.04 0.39 99.34 0.15 0.00 0.00 0.00 66 L H H 86.53 2.05 15.53 17.50 91.73 50.11 -63.98 -41.32 0.42 0.00 99.58 0.05 0.02 0.24 99.60 0.09 0.00 0.00 0.00 67 E H H 95.81 1.95 15.28 17.09 91.69 50.26 -64.03 -41.60 0.40 0.00 99.60 0.05 0.02 0.23 99.61 0.09 0.00 0.00 0.00 68 Y H H 102.96 3.13 12.85 17.31 91.92 49.48 -64.87 -41.43 0.42 0.00 99.58 0.05 0.03 0.26 99.53 0.12 0.00 0.00 0.00 69 K H H 104.64 2.77 12.11 16.08 92.07 50.39 -64.51 -40.98 0.63 0.00 99.37 0.08 0.04 0.40 99.28 0.19 0.00 0.00 0.00 70 R H H 159.37 1.12 12.23 13.09 92.40 48.84 -66.05 -39.90 1.50 0.00 98.50 0.12 0.08 1.16 98.24 0.39 0.00 0.00 0.00 71 R H H 168.66 1.04 11.10 12.11 93.19 47.56 -69.32 -32.88 8.04 0.01 91.95 0.24 0.33 7.53 91.33 0.55 0.01 0.00 0.00 72 N C T 106.24 2.10 10.09 13.22 95.70 40.48 -93.40 0.22 71.25 0.03 28.72 0.62 1.79 67.85 28.95 0.75 0.00 0.01 0.03 73 G C T 59.91 1.16 10.75 12.41 95.58 -112.59 75.25 13.10 99.05 0.06 0.88 5.32 3.34 90.66 0.48 0.15 0.00 0.02 0.03 74 L C C 97.76 4.31 7.44 13.65 107.02 133.19 -88.83 70.18 98.78 0.51 0.71 95.64 1.37 1.97 0.30 0.21 0.00 0.20 0.31 75 E C C 136.32 2.72 12.26 16.48 112.67 94.71 -95.48 131.26 99.94 0.04 0.02 99.79 0.12 0.05 0.00 0.00 0.00 0.02 0.01