# 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 E C C 141.17 2.43 14.24 17.73 113.51 -146.31 -88.30 132.83 99.96 0.03 0.01 99.90 0.06 0.02 0.00 0.00 0.00 0.01 0.00 1 V C C 89.32 7.57 9.02 17.99 115.07 -137.76 -89.99 130.68 90.84 1.10 8.05 87.80 0.77 3.05 6.39 0.95 0.00 0.46 0.59 2 T C C 78.54 5.20 10.98 18.08 117.44 -154.03 -98.87 139.44 85.94 1.37 12.69 67.31 12.17 5.26 12.15 1.69 0.00 0.51 0.91 3 D C C 81.32 5.41 13.38 20.32 108.17 -120.49 -83.62 112.24 82.75 0.55 16.70 71.51 5.81 3.85 16.99 1.35 0.00 0.20 0.30 4 Q H H 71.99 10.34 14.13 25.68 94.35 -165.44 -67.19 -32.05 20.79 0.14 79.06 14.15 2.61 3.72 78.42 0.98 0.00 0.05 0.07 5 L H H 49.42 14.12 13.73 28.01 91.99 55.92 -63.74 -40.63 4.09 0.02 95.89 1.81 0.61 1.54 95.49 0.54 0.00 0.00 0.01 6 E H H 104.52 2.68 18.52 21.08 91.94 50.25 -65.07 -40.34 1.48 0.01 98.51 0.61 0.18 0.61 98.20 0.40 0.00 0.00 0.00 7 D H H 72.67 3.45 18.62 22.27 91.90 49.91 -65.30 -40.99 0.76 0.00 99.23 0.26 0.08 0.34 99.08 0.24 0.00 0.00 0.00 8 L H H 21.20 16.29 14.67 31.68 91.95 50.17 -64.45 -42.32 0.50 0.00 99.50 0.12 0.04 0.25 99.47 0.12 0.00 0.00 0.00 9 R H H 89.98 12.28 17.03 29.39 91.49 52.03 -62.21 -41.91 0.40 0.00 99.60 0.08 0.03 0.20 99.60 0.08 0.00 0.00 0.00 10 E H H 107.56 1.83 21.11 21.23 91.80 50.30 -64.31 -41.25 0.58 0.00 99.42 0.08 0.04 0.36 99.30 0.21 0.00 0.00 0.00 11 H H H 93.32 4.87 19.38 24.79 91.89 49.05 -65.80 -39.92 1.32 0.00 98.68 0.11 0.07 1.02 98.22 0.57 0.00 0.00 0.00 12 F H H 18.87 18.86 11.95 30.93 92.90 48.89 -71.78 -30.19 3.20 0.00 96.80 0.23 0.18 2.58 94.33 2.68 0.00 0.00 0.00 13 K H H 108.05 8.20 15.37 24.62 91.11 65.62 -65.45 -25.14 30.92 0.02 69.06 0.56 0.68 30.89 65.04 2.81 0.01 0.01 0.01 14 N C T 128.94 0.93 17.74 16.97 94.11 51.52 -89.88 -3.61 72.39 0.03 27.57 1.23 2.22 69.66 23.93 2.91 0.00 0.01 0.03 15 T C S 37.23 11.97 8.34 21.22 120.55 100.41 -85.92 150.25 98.40 0.23 1.37 22.56 74.59 1.07 1.29 0.15 0.00 0.04 0.31 16 E C T 159.56 0.76 16.30 15.69 91.81 -124.40 -61.90 -34.99 52.29 0.05 47.66 0.82 5.48 47.05 34.19 12.29 0.07 0.02 0.08 17 E C T 110.56 5.24 16.18 22.60 92.18 53.56 -68.65 -30.21 54.15 0.02 45.82 0.41 2.19 53.66 32.40 11.26 0.03 0.01 0.04 18 G H H 5.25 20.04 10.60 30.49 96.74 43.77 -88.04 -16.88 43.77 0.03 56.19 1.30 1.70 40.84 45.10 10.99 0.02 0.01 0.04 19 K H H 104.23 5.89 17.53 24.91 91.79 83.06 -59.91 -41.68 1.28 0.00 98.72 0.30 0.14 0.58 98.61 0.37 0.00 0.00 0.00 20 A H H 60.58 2.47 21.80 23.19 91.50 50.78 -64.16 -40.14 0.47 0.00 99.53 0.06 0.02 0.28 99.33 0.32 0.00 0.00 0.00 21 L H H 28.71 14.88 17.38 32.79 92.02 50.07 -65.63 -41.23 0.21 0.00 99.79 0.03 0.01 0.12 99.59 0.25 0.00 0.00 0.00 22 V H H 36.76 13.59 18.14 32.21 91.61 51.16 -63.07 -42.37 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.06 0.00 0.00 0.00 23 H H H 108.20 2.09 23.88 24.11 91.55 49.85 -63.47 -42.16 0.12 0.00 99.88 0.00 0.00 0.09 99.87 0.03 0.00 0.00 0.00 24 H H H 69.86 8.11 20.87 29.73 91.78 49.99 -64.35 -42.17 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 25 Y H H 30.01 18.59 16.68 35.26 91.88 50.13 -63.87 -42.27 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 26 E H H 99.41 4.59 22.71 27.50 91.45 50.57 -63.58 -41.02 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 27 E H H 95.64 2.76 22.94 24.62 91.49 49.57 -64.29 -41.79 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 28 C H H 15.79 14.57 17.36 33.10 91.76 49.77 -64.33 -42.14 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.03 0.00 0.00 0.00 29 A H H 26.65 11.20 18.44 30.88 91.44 50.92 -63.23 -41.87 0.32 0.00 99.68 0.02 0.01 0.21 99.70 0.05 0.00 0.00 0.00 30 E H H 106.40 1.86 23.38 23.16 91.44 50.28 -63.67 -41.57 0.87 0.00 99.13 0.06 0.04 0.62 99.13 0.16 0.00 0.00 0.00 31 R H H 97.28 6.36 20.08 27.07 91.94 49.74 -65.38 -40.98 2.39 0.00 97.60 0.24 0.15 1.77 97.43 0.40 0.00 0.00 0.00 32 V H H 21.12 15.55 14.49 30.83 92.31 49.91 -65.58 -40.95 4.64 0.02 95.33 0.83 0.49 3.06 94.94 0.66 0.01 0.01 0.01 33 K H H 109.17 3.62 19.58 23.40 91.99 51.25 -64.50 -40.91 9.54 0.10 90.36 2.94 1.42 5.34 88.66 1.52 0.02 0.04 0.05 34 I H H 93.18 2.15 18.50 19.78 92.55 50.12 -66.25 -39.50 12.63 0.14 87.24 3.85 1.87 7.30 81.69 5.12 0.04 0.07 0.07 35 Q H H 51.38 10.96 12.19 24.40 92.44 53.22 -67.33 -31.63 13.56 0.14 86.31 3.89 1.87 7.70 77.15 9.23 0.03 0.07 0.06 36 Q H H 100.95 6.90 13.08 21.27 92.69 59.40 -69.21 -25.81 25.58 0.21 74.21 5.11 3.13 17.39 66.00 8.08 0.05 0.10 0.13 37 Q C H 141.09 1.05 14.77 14.84 95.00 55.54 -82.81 -11.42 50.65 0.39 48.96 9.02 8.95 33.64 41.68 6.16 0.08 0.14 0.33 38 Q C C 87.95 5.79 8.76 16.62 113.69 93.81 -90.43 127.15 98.81 0.29 0.90 49.37 48.03 1.33 0.66 0.23 0.00 0.06 0.32 39 P C T 109.67 1.69 12.51 14.94 109.97 -112.83 -63.61 138.36 91.23 0.17 8.60 8.50 7.96 74.92 1.96 6.44 0.00 0.08 0.15 40 G C T 51.11 2.61 12.80 16.40 97.60 20.45 82.38 -2.87 89.54 0.25 10.22 9.10 7.66 72.97 2.73 7.23 0.00 0.12 0.19 41 Y C G 91.36 9.68 8.50 19.13 97.61 110.01 -69.72 -28.37 59.82 1.29 38.90 27.91 12.60 19.76 8.07 30.18 0.01 0.54 0.93 42 A C T 81.30 2.16 12.66 15.82 93.00 65.55 -66.76 -28.39 61.61 0.36 38.03 8.79 10.06 42.16 7.46 31.07 0.01 0.17 0.29 43 D C T 104.60 2.10 12.83 15.44 98.38 49.99 -89.58 3.06 62.51 0.49 37.00 14.50 11.20 36.85 7.46 29.37 0.01 0.21 0.40 44 L C C 78.43 9.95 8.28 18.72 106.35 109.68 -77.94 87.02 64.25 0.81 34.94 29.23 15.24 20.19 10.70 23.59 0.01 0.32 0.71 45 E C C 151.01 1.50 14.44 15.76 97.36 122.23 -77.80 -16.83 67.60 0.83 31.57 29.67 15.37 22.87 8.59 22.50 0.01 0.35 0.65 46 H C C 105.82 6.46 12.29 20.04 112.08 48.80 -104.36 87.35 74.33 1.15 24.51 48.75 12.09 13.04 6.74 18.09 0.00 0.51 0.77 47 K C C 114.42 7.13 14.48 23.20 118.76 141.87 -96.42 139.00 89.09 1.61 9.30 75.83 8.69 4.88 4.20 4.66 0.00 0.74 1.01 48 E C C 58.79 14.66 12.84 27.76 117.57 -131.35 -88.77 139.88 93.30 3.24 3.45 84.44 7.24 1.68 2.30 1.03 0.00 1.28 2.04 49 D C C 64.17 6.92 21.28 28.52 120.40 -148.33 -101.59 152.21 92.88 4.03 3.09 89.11 2.92 0.93 2.78 0.39 0.00 1.26 2.61 50 C H H 32.46 17.62 14.93 32.29 92.84 -118.75 -62.38 -34.99 15.52 0.30 84.19 6.56 3.59 5.21 83.54 0.81 0.01 0.11 0.18 51 V H H 70.59 6.76 20.27 27.64 91.73 54.89 -63.73 -41.37 1.70 0.01 98.29 0.36 0.19 0.91 98.23 0.30 0.00 0.00 0.00 52 E H H 79.86 5.59 21.42 27.50 91.78 50.05 -64.65 -41.30 0.43 0.00 99.57 0.10 0.04 0.21 99.35 0.30 0.00 0.00 0.00 53 E H H 23.67 17.42 17.30 34.96 91.58 50.60 -63.71 -42.29 0.30 0.00 99.69 0.04 0.02 0.17 99.54 0.23 0.00 0.00 0.00 54 F H H 55.35 14.17 19.38 33.52 91.63 50.56 -63.62 -41.69 0.29 0.00 99.71 0.03 0.01 0.19 99.67 0.10 0.00 0.00 0.00 55 F H H 103.45 3.92 22.89 26.62 91.52 50.54 -63.66 -42.34 0.18 0.00 99.82 0.01 0.00 0.12 99.82 0.04 0.00 0.00 0.00 56 H H H 67.53 9.45 21.11 31.11 91.74 49.67 -64.56 -41.69 0.14 0.00 99.86 0.01 0.00 0.10 99.85 0.04 0.00 0.00 0.00 57 L H H 19.84 19.50 17.99 37.25 91.70 50.45 -64.47 -41.70 0.09 0.00 99.91 0.00 0.00 0.07 99.89 0.04 0.00 0.00 0.00 58 Q H H 71.24 9.55 21.15 31.00 91.41 51.21 -63.26 -41.12 0.09 0.00 99.91 0.00 0.00 0.06 99.89 0.03 0.00 0.00 0.00 59 H H H 91.97 3.79 22.68 26.15 91.63 50.00 -64.45 -41.75 0.21 0.00 99.79 0.01 0.01 0.17 99.74 0.07 0.00 0.00 0.00 60 Y H H 38.35 14.00 18.25 33.06 92.04 49.35 -64.43 -42.55 0.38 0.00 99.62 0.03 0.02 0.29 99.53 0.13 0.00 0.00 0.00 61 L H H 32.33 16.94 16.65 33.40 92.14 48.38 -65.74 -40.97 0.80 0.00 99.20 0.06 0.05 0.61 99.09 0.19 0.00 0.00 0.00 62 D H H 85.13 4.71 20.02 25.09 96.29 41.03 -78.68 -36.82 3.26 0.00 96.74 0.14 0.17 2.83 96.53 0.32 0.01 0.00 0.00 63 T H H 83.93 3.12 20.05 23.04 101.86 32.45 -94.76 -34.10 15.62 0.01 84.37 0.20 0.60 15.40 83.13 0.62 0.02 0.00 0.01 64 A C T 38.45 10.34 17.56 28.69 104.24 27.31 -99.91 -36.19 66.42 0.05 33.52 0.60 2.41 61.82 34.08 1.00 0.02 0.01 0.05 65 T H H 27.12 14.29 17.27 32.02 96.75 42.31 -82.88 -30.34 29.53 0.05 70.42 1.15 1.76 25.98 69.24 1.78 0.03 0.01 0.04 66 A H H 29.92 11.77 16.36 29.31 92.04 67.25 -59.32 -43.84 2.43 0.00 97.57 0.46 0.23 1.43 95.54 2.32 0.00 0.00 0.00 67 P H H 67.47 3.85 19.95 24.11 91.67 50.37 -64.11 -39.62 1.26 0.00 98.73 0.18 0.08 0.83 95.95 2.95 0.00 0.00 0.00 68 R H H 112.78 4.88 19.46 24.73 92.27 50.06 -66.16 -40.43 0.65 0.00 99.35 0.10 0.05 0.40 96.86 2.58 0.00 0.00 0.00 69 L H H 39.17 12.22 14.84 28.17 92.25 50.56 -64.96 -41.70 0.90 0.00 99.09 0.18 0.08 0.54 97.94 1.25 0.00 0.00 0.00 70 F H H 92.22 6.80 14.73 22.77 92.05 51.53 -64.55 -39.95 1.84 0.00 98.15 0.28 0.15 1.24 96.23 2.09 0.00 0.00 0.00 71 D H H 99.73 1.56 15.31 16.54 92.57 51.30 -66.05 -36.76 4.81 0.01 95.18 0.40 0.27 3.92 91.15 4.26 0.00 0.00 0.00 72 K H H 123.11 3.94 12.95 18.08 93.01 52.58 -69.76 -30.84 14.18 0.02 85.80 0.87 0.69 12.46 82.29 3.66 0.01 0.01 0.01 73 L H H 76.13 9.59 9.01 19.22 96.98 53.29 -84.17 -10.12 38.94 0.16 60.90 13.32 1.31 23.87 58.85 2.46 0.00 0.05 0.13 74 K C C 144.72 3.36 13.40 18.45 102.75 112.29 -70.04 49.37 99.96 0.02 0.02 99.84 0.07 0.07 0.01 0.00 0.00 0.01 0.00