# 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 114.21 4.78 11.20 17.54 117.79 -147.77 -95.98 136.34 99.97 0.03 0.01 99.87 0.10 0.01 0.00 0.00 0.00 0.01 0.00 1 P C C 97.02 3.20 9.95 14.84 112.83 -107.24 -68.32 147.62 93.40 1.16 5.44 90.06 0.89 3.30 3.55 1.07 0.00 0.52 0.61 2 L C C 115.19 3.86 7.54 13.21 112.83 -120.57 -82.18 136.41 83.44 3.44 13.12 68.75 7.85 6.58 9.35 3.73 0.00 1.55 2.19 3 K C C 147.91 2.23 9.60 13.26 113.34 -132.42 -88.35 132.65 70.00 3.48 26.52 48.00 12.23 9.69 20.72 5.98 0.01 1.79 1.58 4 N C C 101.14 4.07 9.37 15.07 110.77 -128.60 -87.77 117.44 58.80 2.23 38.97 34.75 12.80 12.10 31.43 6.81 0.03 1.10 0.97 5 N H H 98.08 3.44 10.80 15.66 102.15 -142.60 -85.33 -1.57 47.77 1.62 50.61 29.79 8.86 10.30 42.89 6.63 0.03 0.80 0.70 6 C H H 73.09 3.74 10.47 15.81 97.41 72.27 -69.99 -31.59 31.91 1.88 66.21 18.63 6.61 8.82 57.09 7.04 0.06 1.15 0.61 7 F H H 113.99 4.46 10.50 16.53 96.37 58.04 -71.37 -32.40 22.14 3.14 74.72 12.23 4.56 7.43 65.04 7.38 0.09 2.66 0.61 8 R H H 144.26 2.76 11.78 15.75 95.59 59.40 -69.60 -34.77 19.18 3.43 77.38 9.99 3.76 6.95 68.16 7.38 0.08 3.18 0.50 9 R H H 152.43 2.04 12.17 14.88 96.80 55.47 -72.52 -31.23 22.00 3.40 74.60 10.63 4.27 8.57 65.88 7.00 0.09 2.99 0.57 10 V H H 86.02 3.98 11.26 16.62 99.15 52.06 -77.21 -30.29 27.93 3.52 68.55 13.87 5.65 10.06 61.42 5.40 0.09 2.80 0.70 11 Y H H 133.48 4.49 11.01 16.90 101.27 51.77 -81.83 -16.14 40.30 3.00 56.70 21.89 7.62 12.11 51.10 4.43 0.06 1.96 0.84 12 H C H 121.14 3.62 11.42 16.47 103.03 56.17 -84.51 3.09 51.45 1.95 46.60 28.99 8.39 14.06 42.58 4.18 0.02 1.07 0.70 13 S C H 68.57 3.73 11.53 16.64 103.82 73.48 -81.85 3.01 60.83 1.41 37.76 26.42 14.64 19.15 34.71 3.81 0.02 0.69 0.56 14 N C C 91.62 4.15 11.33 16.94 103.65 69.16 -87.33 28.61 63.01 1.23 35.75 42.21 8.70 10.68 34.15 3.14 0.01 0.55 0.55 15 W H H 150.65 3.79 11.08 16.45 95.94 119.12 -67.79 -34.24 9.16 0.13 90.70 4.54 1.71 3.51 86.63 3.49 0.01 0.07 0.06 16 E H H 125.23 1.81 13.53 15.52 93.43 54.86 -66.51 -38.53 4.50 0.10 95.40 1.67 0.68 2.30 91.17 4.08 0.01 0.07 0.03 17 Y H H 130.31 2.78 13.08 16.72 93.57 50.60 -67.42 -38.58 3.35 0.09 96.55 1.25 0.52 1.69 91.67 4.76 0.01 0.07 0.02 18 L H H 83.84 4.29 12.31 18.18 93.35 51.53 -67.03 -38.58 4.15 0.12 95.73 1.63 0.66 2.03 92.46 3.09 0.01 0.08 0.03 19 L H H 91.19 2.94 13.29 17.14 94.20 51.23 -68.15 -37.78 11.45 0.52 88.03 4.60 1.91 5.54 85.02 2.42 0.03 0.31 0.17 20 S H H 60.63 2.60 13.75 16.91 95.26 53.37 -67.54 -39.44 19.82 0.47 79.72 8.53 2.82 9.04 76.93 2.25 0.02 0.24 0.18 21 L H H 95.12 3.05 12.45 16.61 94.54 51.21 -67.61 -38.33 16.23 0.40 83.37 7.76 3.08 6.31 79.10 3.36 0.02 0.21 0.16 22 E H H 116.59 2.43 13.15 16.28 94.04 53.72 -67.02 -38.70 16.38 0.48 83.14 8.88 2.80 5.61 78.57 3.70 0.01 0.27 0.16 23 K H H 130.46 1.87 13.48 15.49 94.42 50.96 -68.51 -37.09 20.23 0.60 79.17 10.46 3.54 7.35 74.02 4.07 0.02 0.34 0.21 24 E H H 114.02 2.63 13.07 16.44 95.12 51.66 -69.39 -34.64 24.81 0.55 74.63 12.98 4.15 8.76 69.51 4.08 0.02 0.28 0.23 25 A H H 61.80 3.54 11.98 16.94 95.06 56.97 -69.97 -33.75 33.90 0.57 65.54 15.95 5.92 12.81 60.69 4.08 0.02 0.26 0.26 26 D C H 98.74 2.31 13.20 16.05 97.66 54.71 -77.92 -17.91 51.75 0.61 47.64 26.11 6.79 18.66 44.28 3.58 0.01 0.26 0.32 27 A C H 60.28 3.70 11.65 16.82 102.79 70.66 -76.08 -27.43 50.18 0.45 49.37 27.16 12.06 10.01 47.74 2.63 0.01 0.16 0.24 28 E H H 110.81 2.48 13.36 16.39 102.74 54.52 -72.92 -24.20 31.56 0.17 68.27 19.96 6.64 3.55 68.61 1.13 0.00 0.06 0.07 29 P H H 79.59 3.17 13.02 17.26 94.15 23.68 -64.89 -39.33 13.30 0.09 86.60 8.74 1.55 3.18 85.18 1.27 0.00 0.04 0.04 30 K H H 128.61 2.12 13.86 16.44 93.45 51.13 -66.24 -38.81 4.48 0.04 95.48 2.35 0.60 1.61 94.36 1.04 0.00 0.02 0.01 31 Q H H 102.66 1.88 14.87 16.61 92.46 50.25 -65.84 -40.74 2.22 0.02 97.76 1.08 0.29 0.84 97.18 0.59 0.00 0.01 0.00 32 K H H 112.07 2.06 15.29 17.32 92.36 50.45 -65.21 -40.80 1.42 0.01 98.57 0.61 0.17 0.59 98.30 0.32 0.00 0.00 0.00 33 A H H 49.90 3.10 14.07 18.40 91.98 50.81 -64.13 -41.53 1.06 0.01 98.94 0.40 0.11 0.47 98.83 0.19 0.00 0.00 0.00 34 L H H 90.75 2.02 15.42 17.34 91.98 50.29 -64.76 -41.08 0.83 0.00 99.16 0.28 0.08 0.39 99.10 0.14 0.00 0.00 0.00 35 R H H 134.93 1.60 15.97 16.88 92.07 50.30 -64.62 -41.39 0.77 0.00 99.22 0.23 0.07 0.39 99.20 0.11 0.00 0.00 0.00 36 Y H H 122.18 2.22 15.12 17.51 92.03 49.52 -64.89 -41.54 0.74 0.00 99.25 0.21 0.07 0.38 99.24 0.10 0.00 0.00 0.00 37 K H H 110.61 2.52 15.17 18.10 92.04 50.44 -64.26 -41.26 0.64 0.00 99.35 0.17 0.06 0.34 99.35 0.08 0.00 0.00 0.00 38 Q H H 101.98 1.71 15.78 16.94 92.01 50.03 -65.00 -40.80 0.82 0.00 99.17 0.18 0.07 0.46 99.18 0.10 0.00 0.00 0.00 39 E H H 105.77 1.65 16.07 16.97 91.96 49.92 -64.74 -41.00 1.14 0.00 98.86 0.25 0.10 0.65 98.89 0.11 0.00 0.00 0.00 40 K H H 109.70 2.42 15.24 17.98 92.00 50.25 -64.88 -40.91 1.44 0.00 98.56 0.32 0.13 0.81 98.59 0.14 0.00 0.00 0.00 41 K H H 109.31 2.59 15.17 18.21 92.02 50.57 -64.70 -40.84 1.25 0.01 98.74 0.31 0.12 0.67 98.71 0.19 0.00 0.00 0.00 42 Q H H 99.46 1.62 16.22 16.99 91.96 50.15 -64.63 -41.15 1.41 0.01 98.58 0.39 0.14 0.74 98.42 0.30 0.00 0.00 0.00 43 Q H H 96.18 1.89 15.56 17.19 92.02 50.04 -64.87 -41.11 2.19 0.02 97.79 0.58 0.22 1.23 97.47 0.49 0.00 0.01 0.00 44 F H H 95.13 3.67 13.03 18.17 92.34 49.71 -65.09 -41.07 3.36 0.04 96.60 1.13 0.39 1.78 95.85 0.81 0.01 0.02 0.01 45 R H H 142.63 2.01 14.14 16.55 92.13 50.35 -65.00 -40.12 4.71 0.05 95.24 1.28 0.51 2.82 94.36 0.98 0.01 0.02 0.01 46 E H H 130.40 1.21 14.69 15.03 92.41 49.86 -66.76 -38.20 10.03 0.04 89.93 1.20 0.91 7.54 89.35 0.95 0.01 0.02 0.02 47 K H H 124.39 2.05 14.02 16.24 94.86 46.72 -75.73 -32.50 47.47 0.12 52.41 2.18 3.76 39.62 53.08 1.21 0.03 0.03 0.08 48 G C T 39.48 3.33 14.11 18.36 96.66 40.33 -59.37 -35.07 57.56 0.16 42.28 7.32 4.58 43.21 43.02 1.69 0.01 0.06 0.10 49 L H H 87.33 3.76 13.62 18.52 93.55 61.18 -66.58 -39.19 13.44 0.11 86.45 7.63 1.77 3.98 85.21 1.33 0.00 0.05 0.04 50 K H H 124.60 2.52 15.91 18.86 92.83 52.56 -65.04 -41.45 4.56 0.07 95.37 2.32 0.62 1.70 94.32 0.98 0.00 0.04 0.02 51 L H H 94.51 2.13 16.65 18.47 92.22 49.63 -64.99 -41.51 1.69 0.03 98.29 0.70 0.20 0.71 97.73 0.64 0.00 0.01 0.00 52 A H H 53.16 2.73 16.37 19.50 91.91 50.36 -64.04 -41.92 0.87 0.01 99.13 0.28 0.09 0.39 98.91 0.33 0.00 0.00 0.00 53 A H H 51.92 3.34 15.85 20.11 91.86 50.34 -63.90 -41.52 0.64 0.00 99.35 0.16 0.05 0.32 99.28 0.18 0.00 0.00 0.00 54 A H H 55.68 2.63 16.29 19.23 91.88 50.54 -63.85 -41.66 0.55 0.00 99.45 0.12 0.04 0.27 99.45 0.11 0.00 0.00 0.00 55 K H H 123.65 1.76 17.54 18.52 92.03 49.95 -64.95 -41.26 0.66 0.00 99.34 0.15 0.05 0.34 99.35 0.11 0.00 0.00 0.00 56 T H H 73.07 2.37 16.11 18.52 92.00 49.45 -64.92 -41.40 0.81 0.00 99.18 0.20 0.07 0.41 99.19 0.12 0.00 0.00 0.00 57 A H H 54.52 2.65 14.75 18.07 91.74 50.54 -63.64 -41.83 0.96 0.00 99.03 0.25 0.08 0.48 99.01 0.17 0.00 0.00 0.00 58 E H H 110.89 1.66 15.06 16.32 92.03 49.98 -64.92 -41.30 1.67 0.01 98.33 0.39 0.14 0.93 98.23 0.30 0.00 0.00 0.00 59 A H H 62.63 1.70 13.05 14.92 91.97 50.69 -64.62 -40.36 3.16 0.01 96.83 0.62 0.28 1.90 96.64 0.55 0.00 0.00 0.00 60 A H H 71.58 1.92 11.19 13.93 92.44 51.45 -66.33 -36.52 9.11 0.03 90.86 1.59 0.84 6.02 90.45 1.06 0.00 0.01 0.01 61 K H H 156.45 1.02 10.61 11.84 93.53 52.91 -71.20 -29.12 25.64 0.13 74.23 4.42 2.56 18.04 73.36 1.48 0.02 0.04 0.08 62 S C H 91.36 0.94 9.39 10.61 97.43 56.84 -79.58 -14.26 53.29 0.25 46.47 22.53 1.47 26.45 48.12 1.19 0.00 0.08 0.16 63 A C C 79.41 2.84 10.11 14.49 102.42 82.92 -78.10 3.70 99.92 0.02 0.06 99.74 0.08 0.12 0.05 0.00 0.00 0.01 0.00