# 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 I C C 97.84 7.21 10.81 19.58 114.70 -155.60 -98.29 124.37 99.85 0.15 0.01 99.84 0.06 0.01 0.00 0.00 0.00 0.07 0.01 1 V C C 106.59 2.90 10.18 15.01 117.70 -163.73 -105.58 132.01 92.90 5.78 1.32 91.27 0.77 1.63 0.60 0.40 0.00 3.57 1.77 2 N C C 121.44 2.65 8.62 13.22 111.11 -142.74 -90.86 117.64 92.62 5.64 1.74 73.58 12.27 6.62 0.51 1.24 0.00 4.14 1.64 3 A C C 77.85 3.29 8.40 13.65 114.73 -146.62 -91.55 138.37 94.55 3.79 1.66 67.43 22.50 4.70 0.43 1.23 0.00 2.28 1.42 4 Q C C 135.79 2.12 10.12 13.93 114.87 -126.64 -90.13 134.02 97.75 1.83 0.43 71.07 25.61 1.23 0.13 0.28 0.00 0.94 0.75 5 P C C 84.05 6.94 8.67 17.12 113.19 -110.81 -70.93 144.45 97.38 1.20 1.43 83.21 8.37 5.69 0.27 1.26 0.00 0.69 0.52 6 K C C 156.08 1.78 12.67 15.39 112.27 -141.12 -94.55 121.17 95.82 2.38 1.80 66.82 18.54 9.99 0.33 1.75 0.00 1.09 1.47 7 C C C 71.16 9.05 7.58 17.33 114.86 -135.59 -90.26 133.62 94.52 3.91 1.57 58.76 29.43 5.94 0.31 1.44 0.00 1.64 2.48 8 N C C 86.85 4.41 11.40 17.52 110.71 -145.48 -96.47 113.84 97.65 1.77 0.58 86.24 10.31 1.06 0.14 0.45 0.00 0.85 0.95 9 P C T 105.59 3.42 9.76 15.38 93.48 -152.71 -67.24 -17.02 92.08 1.08 6.84 13.46 9.16 68.75 0.70 6.90 0.00 0.76 0.27 10 N C T 128.15 1.19 12.25 13.47 97.11 62.94 -88.42 1.60 91.18 2.16 6.66 11.76 9.34 69.61 0.78 6.32 0.00 1.82 0.36 11 L C C 79.92 8.62 7.51 17.43 113.68 110.07 -84.38 128.19 80.98 13.05 5.96 66.46 10.49 3.55 1.37 5.10 0.00 9.83 3.20 12 H C C 133.11 3.04 12.68 17.47 121.32 -166.27 -115.67 137.74 75.58 22.37 2.05 69.95 3.61 1.63 0.82 1.20 0.00 19.20 3.60 13 Y C C 144.18 5.65 11.23 18.66 115.20 -140.56 -95.11 130.38 72.88 24.69 2.43 61.70 7.24 2.73 1.14 1.44 0.00 20.69 5.07 14 W C C 127.00 8.08 9.70 19.09 115.77 -148.88 -95.11 133.31 87.34 9.85 2.81 72.52 11.40 3.16 1.36 1.44 0.00 7.79 2.33 15 T C C 71.78 3.98 12.40 17.74 120.29 -147.09 -98.50 155.29 92.42 4.47 3.11 80.36 9.69 2.41 1.94 1.17 0.00 2.96 1.47 16 T C C 92.43 4.19 10.52 16.33 96.59 -111.47 -67.08 -31.42 64.08 2.08 33.85 28.17 14.97 21.48 23.38 9.97 0.04 1.16 0.83 17 Q C H 127.70 2.02 11.72 14.34 97.41 62.09 -72.48 -31.28 62.87 1.32 35.81 25.07 14.61 24.04 25.80 9.14 0.03 0.63 0.68 18 D C C 82.85 4.36 11.05 16.84 97.60 57.03 -73.25 -30.81 58.59 1.33 40.07 32.71 12.49 13.90 30.12 9.47 0.01 0.61 0.68 19 E H H 113.85 4.03 11.77 17.15 95.53 57.02 -69.59 -29.98 46.10 1.13 52.76 19.66 9.67 18.23 43.00 8.28 0.05 0.56 0.56 20 G H H 42.55 3.14 13.45 17.51 95.31 52.89 -64.54 -36.49 46.30 0.87 52.84 17.38 9.05 21.09 43.16 8.38 0.05 0.42 0.45 21 A H H 57.29 4.71 12.34 18.44 95.47 55.73 -69.31 -35.04 40.75 1.29 57.96 18.60 8.63 15.23 47.42 8.80 0.06 0.66 0.60 22 A H H 62.38 3.99 12.82 18.02 94.62 58.15 -66.56 -37.75 31.11 1.60 67.30 13.97 6.40 12.54 55.90 9.52 0.11 0.93 0.63 23 I H H 103.72 2.69 14.07 17.25 94.86 52.05 -69.16 -35.55 25.17 2.07 72.76 9.86 4.61 11.71 58.52 13.10 0.16 1.37 0.68 24 G H H 36.01 4.67 13.01 19.10 95.85 51.93 -64.83 -36.64 23.13 1.18 75.69 7.08 3.55 12.13 58.52 17.44 0.15 0.73 0.40 25 L H H 93.36 4.59 12.45 18.39 95.20 54.22 -68.43 -32.06 21.01 0.89 78.10 4.22 2.88 12.31 55.96 23.63 0.15 0.55 0.29 26 A H H 69.74 2.75 13.39 16.80 94.08 58.35 -68.23 -32.16 33.93 0.83 65.25 3.34 3.68 23.93 45.85 22.06 0.28 0.49 0.39 27 W H H 155.73 2.77 13.05 16.63 95.66 49.63 -77.10 -26.53 35.71 0.63 63.66 4.17 4.01 25.17 45.77 19.99 0.20 0.35 0.35 28 I H G 84.88 5.73 10.86 18.21 96.65 65.82 -70.43 -37.89 12.84 0.38 86.78 3.16 1.73 6.91 43.23 44.61 0.02 0.25 0.09 29 P H G 86.69 3.41 12.77 17.31 95.48 52.62 -69.14 -29.05 11.86 0.35 87.79 1.90 1.23 7.34 41.14 48.04 0.02 0.26 0.07 30 Y H G 163.50 1.91 12.84 15.17 98.47 53.05 -79.63 -24.69 14.70 0.53 84.77 2.46 1.99 8.81 40.82 45.39 0.05 0.35 0.14 31 F H H 127.85 3.70 11.27 16.32 102.60 52.46 -88.36 -13.64 39.56 3.54 56.90 13.87 12.51 15.72 38.49 15.40 0.53 1.63 1.86 32 G C C 36.88 5.21 11.77 18.48 109.05 62.04 -64.91 -99.03 59.20 1.36 39.44 34.48 15.21 10.34 30.87 7.83 0.02 0.62 0.63 33 P H H 93.32 2.81 13.07 16.63 98.84 -0.14 -68.44 -27.68 44.59 1.10 54.30 16.43 8.18 20.84 41.25 12.11 0.09 0.62 0.49 34 A H H 71.29 2.85 13.32 16.95 98.18 53.69 -71.92 -31.89 34.60 1.62 63.78 13.45 6.09 15.89 49.56 13.31 0.11 0.99 0.60 35 A H H 57.62 4.94 12.46 18.88 98.39 58.84 -70.74 -34.94 27.20 1.64 71.16 17.00 5.00 7.17 59.99 9.29 0.03 1.00 0.52 36 E H H 108.33 4.36 13.89 19.40 95.40 58.85 -68.01 -36.67 20.44 0.95 78.61 11.41 3.52 7.08 72.13 4.93 0.03 0.60 0.31 37 G H H 37.02 4.02 14.38 19.43 95.07 52.54 -66.13 -40.98 17.36 0.56 82.08 8.49 2.85 7.07 77.00 4.03 0.02 0.34 0.20 38 I H H 101.84 2.73 15.26 18.31 93.56 50.97 -66.88 -40.15 10.12 0.62 89.27 5.75 1.76 3.62 85.36 2.90 0.02 0.45 0.14 39 Y H H 128.89 3.50 15.23 19.54 93.31 50.93 -66.66 -40.55 8.39 0.76 90.84 4.94 1.44 2.96 87.82 2.08 0.02 0.60 0.14 40 T H H 66.07 4.38 15.03 20.50 92.80 50.19 -65.74 -41.04 6.32 0.44 93.24 3.62 1.04 2.28 90.98 1.63 0.02 0.35 0.08 41 E H H 106.44 2.55 16.36 19.03 92.13 50.97 -65.17 -40.55 4.39 0.21 95.41 1.86 0.69 2.13 93.47 1.62 0.02 0.16 0.04 42 G H H 32.13 3.48 15.35 19.89 92.61 51.19 -64.32 -40.78 5.77 0.17 94.06 1.91 0.82 3.25 91.93 1.90 0.03 0.12 0.05 43 L H H 81.97 4.07 14.43 19.69 92.44 50.09 -66.06 -40.21 6.89 0.19 92.93 2.28 1.06 3.85 90.50 2.10 0.03 0.12 0.06 44 M H H 102.80 3.20 14.92 18.87 92.67 50.46 -66.26 -38.95 11.09 0.32 88.58 4.04 1.87 5.82 85.69 2.25 0.04 0.18 0.12 45 H H H 128.69 1.78 15.67 17.13 93.66 50.34 -68.55 -36.66 24.54 0.43 75.03 7.88 4.07 13.22 72.17 2.23 0.04 0.19 0.21 46 N H H 91.08 3.27 14.64 18.56 96.97 49.44 -77.03 -27.51 42.41 0.46 57.14 18.90 5.72 17.88 54.71 2.36 0.01 0.18 0.25 47 Q H H 101.50 3.96 14.32 19.30 93.88 66.63 -66.27 -38.97 29.38 0.33 70.29 16.38 4.80 8.65 67.40 2.47 0.01 0.13 0.16 48 D H H 91.27 2.80 15.66 18.91 93.06 51.60 -66.92 -37.92 21.76 0.19 78.05 10.30 3.12 8.35 75.79 2.26 0.00 0.08 0.08 49 G H H 36.92 3.68 15.38 19.95 92.90 51.98 -65.72 -40.38 15.95 0.16 83.89 6.74 2.36 7.06 81.46 2.23 0.01 0.08 0.07 50 L H H 92.49 2.72 16.53 19.31 92.63 49.66 -65.31 -41.97 7.85 0.13 92.02 3.10 1.23 3.73 90.28 1.54 0.01 0.06 0.04 51 I H H 84.27 3.21 17.00 20.61 92.23 49.47 -64.71 -41.99 3.75 0.07 96.18 1.49 0.56 1.72 95.42 0.75 0.00 0.03 0.02 52 C H H 55.25 4.16 16.01 21.32 92.04 50.56 -63.93 -41.90 2.35 0.03 97.62 0.95 0.34 1.02 97.25 0.42 0.00 0.01 0.01 53 G H H 34.16 3.32 16.62 20.70 92.16 51.29 -63.55 -41.70 1.61 0.02 98.37 0.56 0.20 0.79 98.12 0.32 0.00 0.01 0.01 54 L H H 93.66 2.34 17.19 19.32 92.08 49.68 -64.54 -40.98 0.80 0.01 99.19 0.29 0.09 0.37 99.06 0.18 0.00 0.01 0.00 55 R H H 131.37 2.79 16.70 19.82 92.13 50.20 -64.91 -41.05 0.64 0.01 99.34 0.23 0.06 0.30 99.27 0.12 0.00 0.01 0.00 56 Q H H 97.32 3.24 16.53 20.33 92.12 49.96 -64.75 -41.44 0.75 0.01 99.24 0.23 0.08 0.38 99.19 0.12 0.00 0.01 0.00 57 L H H 91.41 2.42 17.10 19.36 92.03 49.83 -64.39 -41.43 0.82 0.01 99.17 0.23 0.09 0.42 99.14 0.11 0.00 0.00 0.00 58 A H H 54.75 2.64 16.52 19.46 91.73 50.50 -63.83 -41.20 0.97 0.00 99.03 0.27 0.09 0.48 99.05 0.10 0.00 0.00 0.00 59 N H H 84.84 2.93 16.34 19.63 92.08 49.83 -65.32 -40.30 1.13 0.00 98.86 0.30 0.11 0.57 98.92 0.09 0.00 0.00 0.00 60 E H H 105.77 2.53 16.63 19.29 92.07 50.17 -65.04 -41.23 0.65 0.00 99.35 0.15 0.06 0.34 99.38 0.07 0.00 0.00 0.00 61 T H H 75.71 2.06 17.00 18.54 92.01 49.51 -64.88 -41.40 0.73 0.00 99.27 0.19 0.07 0.36 99.30 0.08 0.00 0.00 0.00 62 T H H 69.29 2.59 16.20 18.99 91.91 50.14 -64.59 -41.43 0.60 0.00 99.40 0.13 0.05 0.30 99.45 0.06 0.00 0.00 0.00 63 Q H H 100.83 2.43 16.30 18.80 92.00 50.31 -64.71 -41.12 0.46 0.00 99.54 0.08 0.03 0.25 99.58 0.06 0.00 0.00 0.00 64 A H H 57.69 2.31 15.95 18.38 91.84 50.67 -63.75 -41.53 0.47 0.00 99.53 0.07 0.02 0.28 99.55 0.07 0.00 0.00 0.00 65 L H H 96.53 1.82 16.15 17.43 91.83 49.82 -64.65 -40.67 0.38 0.00 99.62 0.05 0.02 0.23 99.64 0.06 0.00 0.00 0.00 66 Q H H 102.17 2.25 15.74 18.07 91.75 51.00 -64.30 -40.54 0.31 0.00 99.69 0.04 0.02 0.17 99.72 0.05 0.00 0.00 0.00 67 L H H 90.40 2.35 15.48 18.09 91.87 50.62 -64.32 -41.11 0.35 0.00 99.65 0.04 0.02 0.21 99.65 0.07 0.00 0.00 0.00 68 F H H 125.15 1.76 15.99 17.29 91.86 49.85 -64.59 -40.84 0.36 0.00 99.64 0.05 0.02 0.22 99.64 0.08 0.00 0.00 0.00 69 L H H 92.60 2.15 15.65 17.74 91.93 50.33 -64.82 -40.79 0.38 0.00 99.62 0.08 0.03 0.21 99.62 0.06 0.00 0.00 0.00 70 R H H 135.45 1.97 16.12 17.91 91.81 50.49 -64.61 -41.14 0.36 0.00 99.64 0.06 0.02 0.20 99.67 0.05 0.00 0.00 0.00 71 A H H 54.39 2.56 15.66 18.67 91.82 50.57 -64.25 -41.26 0.46 0.00 99.54 0.09 0.03 0.25 99.57 0.06 0.00 0.00 0.00 72 T H H 71.12 2.42 16.13 18.59 91.85 50.20 -64.54 -40.80 0.57 0.00 99.43 0.12 0.04 0.30 99.47 0.06 0.00 0.00 0.00 73 T H H 70.92 2.52 15.77 18.52 91.97 50.64 -64.47 -41.31 0.59 0.00 99.41 0.14 0.05 0.30 99.45 0.06 0.00 0.00 0.00 74 E H H 111.21 2.00 16.16 17.95 91.82 50.63 -64.61 -41.10 0.56 0.00 99.44 0.09 0.04 0.32 99.48 0.07 0.00 0.00 0.00 75 L H H 97.41 2.04 15.84 17.75 92.00 50.21 -65.19 -40.58 0.46 0.00 99.54 0.09 0.03 0.25 99.56 0.07 0.00 0.00 0.00 76 R H H 139.07 2.08 15.74 17.80 92.01 50.72 -64.88 -40.18 0.52 0.00 99.48 0.10 0.03 0.28 99.51 0.07 0.00 0.00 0.00 77 T H H 73.88 2.50 15.76 18.49 91.96 50.01 -64.96 -41.41 0.54 0.00 99.46 0.08 0.03 0.32 99.48 0.09 0.00 0.00 0.00 78 F H H 113.81 2.24 16.15 18.35 91.90 50.09 -64.45 -41.79 0.33 0.00 99.67 0.04 0.02 0.19 99.67 0.08 0.00 0.00 0.00 79 S H H 56.22 2.70 15.97 18.99 91.81 50.61 -63.94 -41.39 0.50 0.00 99.50 0.06 0.02 0.32 99.49 0.11 0.00 0.00 0.00 80 I H H 91.94 2.31 16.03 18.28 92.23 49.80 -64.66 -41.64 0.84 0.00 99.15 0.09 0.05 0.60 99.13 0.14 0.00 0.00 0.00 81 L H H 91.89 2.29 15.93 18.31 91.84 49.86 -64.41 -41.25 1.10 0.00 98.89 0.13 0.07 0.75 98.93 0.12 0.00 0.00 0.00 82 N H H 86.01 2.97 15.75 19.16 92.20 49.76 -65.03 -40.34 2.19 0.00 97.81 0.29 0.16 1.48 97.94 0.13 0.00 0.00 0.00 83 R H H 135.51 2.34 16.16 18.55 92.25 51.10 -64.85 -40.63 0.61 0.00 99.39 0.09 0.04 0.37 99.41 0.09 0.00 0.00 0.00 84 K H H 114.38 2.09 16.81 18.54 91.99 50.40 -64.71 -41.11 0.42 0.00 99.58 0.06 0.03 0.25 99.57 0.09 0.00 0.00 0.00 85 A H H 53.13 2.86 15.55 19.07 91.73 50.65 -63.97 -41.63 0.47 0.00 99.53 0.06 0.03 0.28 99.51 0.11 0.00 0.00 0.00 86 I H H 87.58 2.92 15.44 18.93 91.76 49.98 -64.08 -41.63 0.44 0.00 99.56 0.05 0.03 0.28 99.53 0.11 0.00 0.00 0.00 87 D H H 80.77 2.22 15.53 17.81 91.46 50.98 -63.82 -40.90 0.90 0.00 99.09 0.09 0.04 0.64 99.08 0.15 0.00 0.00 0.00 88 F H H 113.36 1.79 14.79 16.35 91.79 50.04 -64.30 -41.94 0.90 0.00 99.09 0.11 0.06 0.63 98.88 0.32 0.00 0.00 0.00 89 L H H 87.04 2.55 13.35 16.74 92.01 50.29 -64.08 -41.50 1.01 0.00 98.99 0.14 0.08 0.69 98.47 0.62 0.00 0.00 0.00 90 L H H 92.45 2.67 11.81 15.62 92.10 50.21 -65.34 -39.85 2.30 0.01 97.69 0.34 0.20 1.61 96.54 1.30 0.00 0.00 0.00 91 Q H H 130.97 1.09 11.95 12.91 92.31 50.51 -66.66 -37.73 6.77 0.02 93.21 0.69 0.52 5.30 91.17 2.28 0.01 0.01 0.01 92 R H H 172.09 1.05 11.26 12.32 93.84 49.30 -70.66 -32.37 16.82 0.06 83.12 1.43 1.49 13.63 81.26 2.11 0.03 0.02 0.03 93 W H H 180.38 1.99 9.10 12.25 100.08 41.83 -93.68 -4.00 43.31 0.40 56.30 5.91 6.23 31.00 54.38 2.01 0.07 0.14 0.26 94 G C C 57.06 1.81 10.34 13.22 104.92 -100.64 77.39 7.91 92.35 0.37 7.27 52.90 1.89 36.79 7.42 0.61 0.00 0.16 0.22 95 G C C 49.30 3.32 12.23 16.95 111.71 -67.58 84.42 -151.25 99.95 0.03 0.01 99.83 0.09 0.05 0.01 0.00 0.00 0.02 0.01