# 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 V C C 99.80 4.40 10.76 17.11 117.28 -160.57 -103.57 131.02 99.89 0.11 0.00 99.87 0.05 0.01 0.00 0.00 0.00 0.05 0.01 1 I C C 120.19 3.34 8.50 13.97 115.69 -145.26 -95.97 127.92 92.43 5.67 1.90 91.43 0.73 1.32 0.82 0.54 0.00 3.56 1.61 2 V C C 111.21 2.62 8.35 12.99 116.30 -160.00 -102.85 131.80 87.21 8.21 4.58 71.41 8.13 7.55 1.58 2.80 0.00 6.18 2.35 3 N C C 124.45 2.17 8.73 12.57 109.07 -140.74 -91.59 103.59 89.85 5.86 4.30 62.49 15.81 11.56 1.12 3.18 0.00 4.14 1.70 4 A C C 75.43 3.81 8.06 13.87 115.55 -153.89 -94.85 136.24 91.67 4.65 3.69 62.42 23.05 6.21 1.10 2.56 0.00 2.64 2.02 5 Q C C 134.82 2.13 10.49 14.23 115.47 -131.38 -91.25 135.34 97.26 2.15 0.60 69.96 25.97 1.49 0.19 0.38 0.00 1.12 0.91 6 P C C 86.72 6.25 9.06 17.00 112.56 -108.32 -69.45 145.76 95.54 1.55 2.91 74.11 10.81 10.22 0.51 2.76 0.00 0.93 0.66 7 K C C 155.90 1.88 12.31 15.20 110.43 -140.11 -91.20 117.38 94.40 2.35 3.25 54.98 22.08 16.92 0.51 3.15 0.00 1.14 1.22 8 C C C 73.14 8.15 7.72 16.82 114.87 -143.26 -91.92 133.98 93.07 4.10 2.83 51.86 30.82 9.94 0.49 2.64 0.00 1.76 2.49 9 N C C 86.48 4.43 11.03 17.16 110.68 -137.45 -96.57 113.86 97.42 1.83 0.75 84.82 11.28 1.23 0.18 0.59 0.00 0.87 1.03 10 P C T 107.08 3.09 9.69 14.93 93.40 -151.25 -66.60 -17.48 92.41 0.93 6.66 11.31 9.12 71.33 0.68 6.66 0.00 0.64 0.27 11 N C T 127.74 1.22 11.97 13.28 96.67 62.22 -88.08 1.01 91.65 1.98 6.36 10.00 9.33 71.87 0.71 6.09 0.00 1.65 0.36 12 L C C 81.07 8.20 7.46 17.05 113.42 105.63 -84.72 129.32 78.87 15.18 5.95 63.15 11.29 3.91 1.33 5.17 0.00 11.57 3.56 13 H C C 132.69 3.06 12.54 17.38 121.20 -166.42 -114.71 137.72 73.13 25.01 1.86 67.23 3.74 1.59 0.73 1.14 0.00 21.71 3.86 14 Y C C 144.37 5.54 11.10 18.43 115.58 -143.98 -96.39 130.83 71.22 26.76 2.02 60.79 6.74 2.39 0.90 1.25 0.00 22.75 5.19 15 W C C 128.64 7.81 9.59 18.77 116.33 -149.92 -96.86 134.30 87.21 10.51 2.27 72.64 11.33 2.90 1.03 1.24 0.00 8.52 2.34 16 T C C 71.59 3.84 12.25 17.46 120.37 -149.72 -96.11 157.28 92.49 4.82 2.70 79.50 10.75 2.24 1.65 1.05 0.00 3.16 1.64 17 T C H 93.41 3.93 10.44 16.02 95.75 -110.83 -66.27 -31.99 60.57 2.06 37.37 25.35 14.70 21.23 25.88 10.80 0.05 1.14 0.84 18 Q C H 130.18 1.73 11.75 13.89 95.99 61.34 -71.05 -31.45 59.50 1.29 39.21 22.34 14.09 23.98 28.19 10.06 0.04 0.63 0.67 19 D C H 82.21 4.30 10.92 16.71 97.81 55.34 -73.97 -29.79 55.94 1.38 42.68 30.48 11.94 14.19 31.53 10.49 0.02 0.64 0.71 20 E H H 112.69 4.30 11.54 17.21 95.47 60.19 -68.88 -30.01 42.51 1.00 56.49 16.46 9.22 18.23 45.38 9.62 0.07 0.50 0.52 21 G H H 45.02 2.77 13.49 17.03 95.65 52.77 -64.74 -34.12 44.07 0.74 55.19 13.44 8.47 23.16 44.08 9.99 0.08 0.37 0.42 22 A H H 58.39 4.44 12.28 18.09 95.56 56.87 -70.79 -30.99 40.56 1.20 58.24 17.69 8.23 16.13 46.10 10.59 0.07 0.62 0.58 23 A H H 61.27 4.49 12.43 18.22 95.79 66.58 -67.59 -35.32 33.00 1.88 65.13 15.37 6.69 12.87 52.21 10.92 0.13 1.08 0.73 24 I H H 104.89 2.98 13.61 17.30 97.35 56.42 -72.14 -31.97 30.17 2.58 67.25 11.56 5.56 13.94 52.02 14.12 0.24 1.65 0.92 25 G H H 38.03 4.57 12.88 18.78 97.26 52.65 -66.87 -32.56 29.86 1.98 68.17 9.89 4.96 15.01 50.24 17.77 0.18 1.27 0.67 26 L H H 97.32 4.48 12.06 17.85 96.88 57.52 -71.04 -30.00 27.94 2.15 69.91 7.26 4.66 14.86 46.88 23.99 0.27 1.35 0.72 27 A H H 72.13 2.73 12.90 16.40 95.02 57.59 -69.38 -30.52 41.26 2.03 56.71 5.82 5.76 26.87 36.43 22.56 0.41 1.25 0.91 28 W H H 162.49 2.69 12.56 16.12 97.55 49.84 -79.10 -22.93 42.61 1.27 56.13 6.73 5.64 27.98 37.58 20.41 0.26 0.73 0.67 29 I H H 84.94 5.80 10.22 17.68 101.08 71.81 -75.17 -33.89 20.34 1.13 78.53 6.96 3.47 9.10 43.00 36.42 0.05 0.72 0.28 30 P H H 87.05 3.42 12.43 17.00 97.93 53.54 -69.94 -25.73 18.75 0.82 80.43 4.26 2.37 10.23 41.92 40.41 0.05 0.57 0.19 31 Y H H 163.86 1.96 12.50 14.99 99.45 53.42 -78.69 -25.40 21.23 1.05 77.72 4.57 3.28 11.67 40.63 38.76 0.12 0.66 0.31 32 F H H 132.60 3.15 11.50 15.84 101.42 51.45 -86.13 -15.75 37.64 2.72 59.64 13.08 10.85 16.05 42.78 14.14 0.43 1.34 1.33 33 G H H 37.38 4.90 11.73 18.15 108.99 60.86 -63.39 -61.18 48.09 1.01 50.90 25.86 13.40 10.20 43.68 5.93 0.02 0.46 0.44 34 P H H 91.12 2.71 13.17 16.51 98.77 16.92 -66.81 -36.99 33.57 0.69 65.75 12.06 6.12 16.48 56.56 8.01 0.08 0.38 0.30 35 A H H 69.15 2.79 13.73 17.16 97.72 51.47 -67.74 -36.02 22.68 0.69 76.63 8.57 3.90 11.39 66.95 8.44 0.07 0.42 0.27 36 A H H 57.52 4.28 13.00 18.63 96.00 53.72 -67.86 -38.68 14.06 0.57 85.37 8.19 2.60 4.83 78.75 5.09 0.02 0.35 0.17 37 E H H 106.15 3.89 14.42 19.26 94.02 53.71 -66.89 -38.30 8.88 0.26 90.87 4.46 1.47 3.65 87.57 2.60 0.01 0.15 0.08 38 G H H 36.17 3.80 14.50 19.32 93.79 51.63 -65.62 -40.78 7.62 0.22 92.16 3.41 1.19 3.51 89.61 2.06 0.01 0.14 0.07 39 I H H 99.08 2.65 15.62 18.43 92.92 50.18 -66.15 -40.94 4.28 0.22 95.50 2.09 0.71 1.86 93.77 1.37 0.01 0.16 0.04 40 Y H H 130.43 2.97 15.77 19.29 92.80 50.23 -65.85 -41.10 3.86 0.29 95.84 1.92 0.63 1.68 94.42 1.07 0.02 0.22 0.05 41 T H H 67.61 3.75 15.26 19.89 92.42 49.93 -65.77 -41.08 3.86 0.20 95.93 1.80 0.58 1.75 94.68 0.98 0.02 0.15 0.04 42 E H H 104.90 2.58 16.07 18.85 91.99 50.98 -65.10 -40.37 3.04 0.09 96.88 1.03 0.44 1.64 95.76 1.04 0.01 0.06 0.02 43 G H H 33.01 3.27 15.08 19.34 92.55 51.49 -64.16 -40.59 5.14 0.08 94.78 1.21 0.60 3.31 93.39 1.40 0.02 0.05 0.02 44 L H H 88.63 3.24 14.55 18.62 92.43 50.06 -65.89 -39.70 7.29 0.09 92.62 1.67 0.93 4.71 90.73 1.85 0.03 0.05 0.04 45 M H H 104.73 3.03 14.47 18.22 92.75 50.68 -66.75 -38.05 12.24 0.23 87.53 3.89 2.09 6.79 84.74 2.24 0.04 0.11 0.10 46 H H H 129.46 1.85 15.12 16.78 94.02 49.97 -69.97 -34.21 28.18 0.39 71.43 8.60 4.54 15.62 68.37 2.46 0.04 0.17 0.20 47 N H H 94.60 3.03 13.99 17.68 97.67 51.07 -76.17 -26.64 43.99 0.52 55.49 18.64 6.50 19.49 52.00 2.87 0.02 0.20 0.29 48 Q H H 105.17 3.38 13.64 18.05 94.75 62.23 -67.57 -36.85 36.59 0.49 62.92 18.40 6.81 12.15 59.07 3.12 0.01 0.20 0.24 49 D H H 93.87 2.76 14.86 18.14 94.00 52.67 -67.82 -35.86 33.34 0.29 66.37 16.19 4.71 12.24 64.02 2.56 0.01 0.12 0.15 50 G H H 37.32 3.72 14.70 19.38 94.11 53.28 -65.90 -39.45 23.46 0.26 76.28 10.37 4.11 9.40 73.49 2.39 0.01 0.12 0.12 51 L H H 96.64 2.35 16.02 18.32 93.02 49.81 -65.52 -41.57 10.29 0.18 89.54 4.11 1.79 4.76 87.51 1.67 0.01 0.09 0.06 52 I H H 86.73 2.97 16.42 19.78 92.54 49.42 -65.04 -41.89 5.14 0.11 94.76 2.11 0.83 2.38 93.48 1.09 0.01 0.05 0.04 53 C H H 56.89 3.90 15.57 20.61 92.13 50.37 -63.93 -41.73 2.93 0.05 97.02 1.21 0.43 1.31 96.35 0.65 0.00 0.02 0.01 54 G H H 34.68 3.15 16.27 20.12 92.25 51.38 -63.58 -41.60 2.10 0.04 97.86 0.77 0.29 1.04 97.41 0.46 0.00 0.02 0.01 55 L H H 94.51 2.22 16.80 18.82 92.12 49.64 -64.73 -40.91 1.10 0.02 98.88 0.40 0.13 0.52 98.68 0.26 0.00 0.01 0.00 56 R H H 130.77 2.68 16.38 19.37 92.09 50.27 -65.18 -41.09 0.87 0.02 99.10 0.34 0.10 0.40 98.97 0.17 0.00 0.01 0.00 57 Q H H 99.40 3.05 16.35 19.86 92.17 50.02 -64.94 -41.22 0.99 0.01 99.00 0.33 0.11 0.48 98.89 0.16 0.00 0.01 0.00 58 L H H 92.87 2.33 16.85 19.07 92.04 49.61 -64.56 -41.47 1.19 0.01 98.79 0.38 0.15 0.60 98.69 0.16 0.00 0.01 0.00 59 A H H 56.08 2.57 16.37 19.20 91.71 50.47 -63.96 -41.09 1.38 0.01 98.61 0.41 0.14 0.67 98.63 0.14 0.00 0.00 0.00 60 N H H 84.39 2.90 16.22 19.46 92.18 49.80 -65.33 -40.09 1.76 0.01 98.23 0.55 0.20 0.84 98.28 0.13 0.00 0.00 0.00 61 E H H 105.43 2.54 16.59 19.23 92.17 50.24 -64.96 -41.05 0.84 0.00 99.15 0.23 0.09 0.42 99.17 0.09 0.00 0.00 0.00 62 T H H 75.32 2.08 16.74 18.43 92.04 50.11 -64.83 -41.50 0.88 0.00 99.11 0.27 0.09 0.42 99.12 0.10 0.00 0.00 0.00 63 T H H 70.32 2.45 16.12 18.68 91.95 50.11 -64.59 -41.41 0.76 0.00 99.24 0.20 0.06 0.37 99.27 0.08 0.00 0.00 0.00 64 Q H H 101.48 2.37 16.26 18.60 92.01 50.17 -64.66 -40.95 0.56 0.00 99.44 0.12 0.05 0.29 99.48 0.06 0.00 0.00 0.00 65 A H H 57.67 2.33 15.71 18.23 91.87 50.82 -63.70 -41.53 0.47 0.00 99.53 0.09 0.03 0.26 99.55 0.07 0.00 0.00 0.00 66 L H H 97.15 1.75 15.99 17.16 91.79 49.95 -64.57 -40.58 0.38 0.00 99.62 0.07 0.02 0.21 99.63 0.06 0.00 0.00 0.00 67 Q H H 101.93 2.18 15.68 17.87 91.69 50.81 -64.40 -40.65 0.34 0.00 99.66 0.06 0.02 0.19 99.68 0.05 0.00 0.00 0.00 68 L H H 90.78 2.30 15.37 17.88 91.76 50.57 -64.36 -41.08 0.41 0.00 99.59 0.07 0.03 0.24 99.59 0.07 0.00 0.00 0.00 69 F H H 124.19 1.79 15.77 17.17 91.89 49.97 -64.60 -40.80 0.46 0.00 99.54 0.09 0.03 0.27 99.53 0.08 0.00 0.00 0.00 70 L H H 92.99 2.05 15.45 17.40 91.91 50.40 -64.68 -40.68 0.51 0.00 99.49 0.13 0.04 0.27 99.49 0.07 0.00 0.00 0.00 71 R H H 136.59 1.86 16.01 17.57 91.79 50.71 -64.55 -41.00 0.42 0.00 99.58 0.09 0.03 0.23 99.59 0.05 0.00 0.00 0.00 72 A H H 54.66 2.51 15.48 18.43 91.76 50.57 -64.34 -41.16 0.55 0.00 99.45 0.11 0.04 0.30 99.47 0.07 0.00 0.00 0.00 73 T H H 70.94 2.40 15.83 18.34 91.89 50.17 -64.87 -40.76 0.65 0.00 99.35 0.15 0.05 0.33 99.39 0.07 0.00 0.00 0.00 74 T H H 71.26 2.43 15.63 18.23 91.94 50.85 -64.35 -41.25 0.71 0.00 99.29 0.20 0.06 0.34 99.32 0.08 0.00 0.00 0.00 75 E H H 111.36 1.92 16.06 17.71 91.82 50.54 -64.60 -40.97 0.75 0.00 99.25 0.16 0.06 0.41 99.27 0.10 0.00 0.00 0.00 76 L H H 96.86 2.03 15.59 17.51 92.01 50.19 -65.15 -40.66 0.70 0.00 99.30 0.17 0.07 0.36 99.30 0.10 0.00 0.00 0.00 77 R H H 139.58 1.96 15.46 17.38 92.00 50.83 -64.76 -40.07 0.74 0.00 99.26 0.21 0.06 0.36 99.28 0.10 0.00 0.00 0.00 78 T H H 74.34 2.46 15.56 18.23 91.95 50.21 -65.02 -41.19 0.73 0.00 99.27 0.17 0.06 0.41 99.24 0.13 0.00 0.00 0.00 79 F H H 114.50 2.21 15.88 18.04 92.02 50.15 -64.80 -41.57 0.51 0.00 99.49 0.10 0.04 0.28 99.44 0.14 0.00 0.00 0.00 80 S H H 57.40 2.51 15.75 18.51 91.92 50.76 -64.75 -41.28 0.79 0.00 99.21 0.13 0.05 0.49 99.14 0.19 0.00 0.00 0.00 81 I H H 92.43 2.21 15.68 17.86 92.22 49.63 -64.88 -41.52 1.37 0.00 98.62 0.20 0.11 0.92 98.52 0.24 0.00 0.00 0.00 82 L H H 91.80 2.33 15.52 18.03 92.00 49.89 -64.59 -41.19 2.20 0.01 97.80 0.33 0.18 1.45 97.80 0.22 0.00 0.00 0.00 83 N H H 86.93 2.84 15.43 18.63 92.37 49.83 -65.43 -40.27 4.02 0.01 95.97 0.69 0.35 2.61 96.13 0.21 0.00 0.00 0.00 84 R H H 138.29 2.12 15.97 17.99 92.45 51.00 -65.08 -40.42 0.94 0.00 99.05 0.18 0.09 0.54 99.04 0.15 0.00 0.00 0.00 85 K H H 115.62 2.02 16.45 18.14 92.05 50.50 -64.75 -41.10 0.66 0.00 99.33 0.12 0.06 0.39 99.29 0.14 0.00 0.00 0.00 86 A H H 52.65 2.91 15.05 18.69 91.81 50.77 -64.05 -41.76 0.72 0.00 99.28 0.14 0.06 0.41 99.23 0.16 0.00 0.00 0.00 87 I H H 89.22 2.54 15.16 17.99 91.86 49.82 -64.10 -41.89 0.58 0.00 99.42 0.11 0.04 0.33 99.36 0.15 0.00 0.00 0.00 88 D H H 79.85 1.97 15.13 17.03 91.51 51.02 -63.87 -41.18 0.87 0.00 99.12 0.14 0.05 0.54 99.07 0.19 0.00 0.00 0.00 89 F H H 113.42 1.75 14.03 15.71 91.71 50.27 -64.08 -41.73 1.07 0.00 98.93 0.15 0.07 0.74 98.58 0.45 0.00 0.00 0.00 90 L H H 91.41 2.24 12.71 15.66 91.90 50.45 -64.44 -40.84 1.43 0.01 98.56 0.22 0.11 0.98 97.85 0.84 0.00 0.00 0.00 91 L H H 101.97 1.82 11.45 13.91 92.19 50.26 -65.64 -38.66 3.06 0.01 96.93 0.44 0.25 2.15 95.00 2.15 0.00 0.00 0.00 92 Q H H 130.91 1.07 11.14 12.22 92.92 51.88 -66.96 -35.90 10.26 0.03 89.71 1.03 0.75 7.94 86.07 4.17 0.01 0.01 0.01 93 R H H 171.21 1.09 10.23 11.58 94.48 51.23 -71.94 -31.55 23.30 0.10 76.60 3.01 1.99 17.66 73.90 3.32 0.02 0.04 0.06 94 W H H 184.84 1.75 8.98 11.78 99.25 45.44 -88.32 -7.65 46.73 0.28 52.99 23.40 1.71 20.83 52.03 1.72 0.00 0.10 0.21 95 G C C 48.46 3.19 12.02 16.53 111.45 77.99 54.13 16.42 99.97 0.01 0.01 99.86 0.06 0.07 0.01 0.00 0.00 0.01 0.00