# 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 G C C 42.05 4.14 12.20 17.89 126.88 -125.17 101.49 151.52 99.93 0.06 0.01 99.50 0.43 0.04 0.00 0.00 0.00 0.02 0.01 1 P C C 99.70 2.59 10.51 14.54 116.66 -63.53 -72.83 150.18 98.96 0.29 0.74 95.58 1.49 2.08 0.19 0.36 0.00 0.12 0.18 2 P C C 109.51 2.28 8.29 12.31 109.30 -84.51 -68.58 140.32 91.14 1.35 7.52 57.40 11.97 20.74 1.03 7.46 0.00 0.70 0.70 3 S C C 94.80 1.31 8.58 11.08 111.44 -140.60 -95.54 125.95 83.58 4.35 12.07 37.31 18.81 27.47 1.72 10.62 0.00 2.40 1.67 4 G C C 58.35 1.81 8.84 12.07 110.17 -6.40 82.43 18.11 83.52 4.85 11.62 36.31 23.16 24.18 1.72 10.20 0.00 3.01 1.42 5 K C C 151.93 2.20 8.43 12.42 114.89 -113.98 -95.65 130.32 78.64 13.07 8.30 49.01 18.88 11.14 2.07 6.44 0.01 9.71 2.74 6 T C C 100.22 2.40 8.76 13.06 119.99 -162.58 -107.76 139.98 67.80 27.30 4.89 50.95 11.44 4.69 1.99 3.17 0.01 22.49 5.25 7 Y C C 165.20 3.13 7.85 13.03 114.35 -133.01 -92.87 130.82 61.60 34.54 3.85 49.93 6.74 3.10 1.94 2.20 0.01 28.31 7.78 8 M C C 134.35 2.44 8.61 12.78 112.85 -165.18 -100.80 120.63 70.45 23.50 6.04 50.27 11.48 7.93 2.96 3.32 0.02 19.07 4.95 9 G C C 48.39 3.00 10.43 14.93 117.99 -27.94 93.59 -160.30 73.20 11.45 15.34 29.57 22.11 23.45 5.60 8.51 0.14 7.57 3.06 10 W C C 186.38 2.22 10.73 14.12 108.29 -47.74 -89.12 101.79 67.25 6.78 25.96 27.44 16.66 24.79 8.72 15.63 0.15 3.67 2.93 11 W C G 170.89 3.81 8.74 14.15 108.20 -3.24 -79.77 122.18 53.87 3.65 42.48 13.13 11.40 30.01 10.25 31.17 0.17 2.13 1.73 12 G C G 49.93 3.93 10.96 16.27 102.93 22.14 72.05 -25.38 51.46 2.61 45.93 11.28 10.58 30.04 9.60 35.66 0.11 1.49 1.23 13 H C G 141.49 2.41 10.55 14.15 102.09 44.17 -92.18 18.00 52.14 4.44 43.42 19.40 12.87 22.47 8.62 32.18 0.11 2.38 1.97 14 M C T 128.39 3.05 8.19 13.06 104.34 121.74 -84.36 30.77 72.55 5.46 21.99 20.17 16.95 36.32 7.21 13.55 0.13 2.82 2.86 15 G C T 62.35 1.15 10.64 12.13 101.66 -13.34 85.73 4.73 90.09 3.80 6.11 31.55 25.64 33.49 1.34 4.45 0.00 1.97 1.56 16 G C C 42.29 3.96 7.97 13.95 125.50 119.88 -100.97 169.15 95.16 4.34 0.50 49.70 44.11 1.75 0.14 0.34 0.00 2.01 1.94 17 P C C 111.59 1.22 11.24 12.70 114.98 -65.81 -68.69 150.28 95.96 3.08 0.96 67.49 23.43 5.07 0.22 0.81 0.00 1.87 1.11 18 K C C 165.03 1.53 9.04 12.27 113.21 -97.85 -73.08 137.24 91.47 7.01 1.51 73.89 12.82 4.58 0.42 1.21 0.00 4.36 2.71 19 Q C C 120.12 3.82 6.46 12.42 117.18 -147.03 -102.43 132.79 83.14 15.34 1.52 74.41 5.98 1.96 0.60 0.95 0.00 8.70 7.40 20 K C C 174.82 0.66 8.70 9.76 115.40 -145.11 -89.49 134.61 78.78 17.54 3.68 37.25 16.07 26.97 1.30 2.21 0.03 12.13 4.05 21 G C T 65.43 0.63 9.69 9.96 99.26 15.56 84.02 0.19 84.37 12.28 3.35 24.07 28.22 32.91 1.09 2.03 0.03 10.13 1.53 22 I C C 121.61 2.62 6.03 10.78 117.52 123.63 -98.82 130.62 68.80 28.27 2.92 54.08 9.89 3.83 1.60 1.52 0.02 24.44 4.62 23 T C C 109.36 1.38 8.06 10.98 119.21 -166.02 -112.11 133.50 57.93 38.44 3.63 47.79 6.53 2.83 2.35 1.47 0.03 36.41 2.59 24 S C C 87.10 2.01 7.88 12.09 121.98 -165.78 -119.16 139.90 51.60 44.17 4.23 43.16 5.17 2.30 2.86 1.47 0.01 43.02 2.00 25 Y C E 169.20 2.18 7.84 12.23 122.89 -168.92 -124.57 140.72 51.55 43.93 4.53 41.98 6.28 2.69 3.14 1.53 0.02 42.21 2.15 26 A C C 86.46 1.93 8.78 12.74 123.13 -164.07 -121.57 142.64 60.21 37.28 2.51 47.95 8.90 2.30 1.81 0.91 0.01 35.71 2.42 27 V C C 103.88 3.34 7.90 13.36 118.60 -150.16 -103.89 136.61 67.14 31.63 1.23 56.35 9.20 0.93 0.98 0.48 0.00 25.04 7.01 28 S C C 60.98 3.28 9.47 14.55 117.45 -122.89 -83.48 146.11 97.93 1.52 0.55 93.85 3.95 0.41 0.36 0.13 0.00 0.95 0.35 29 P H G 102.18 2.78 9.44 13.97 92.95 -119.55 -61.70 -28.82 33.33 0.34 66.33 3.97 3.62 23.72 25.25 43.07 0.02 0.18 0.16 30 Y H G 179.88 1.16 10.47 11.97 95.25 58.02 -78.18 -14.96 31.82 0.39 67.80 3.09 3.34 23.39 23.26 46.49 0.03 0.21 0.17 31 A H G 70.37 3.22 9.65 14.40 99.31 61.06 -85.47 -2.97 29.63 1.08 69.29 7.39 5.63 16.66 22.38 46.86 0.04 0.60 0.44 32 Q C C 96.82 5.55 8.31 15.62 111.34 91.28 -90.17 121.82 57.36 2.55 40.08 23.48 17.93 17.37 20.38 17.80 0.11 0.89 2.04 33 K C C 134.96 2.85 9.99 14.50 112.82 -140.36 -93.07 123.44 87.77 1.22 11.01 64.18 17.00 6.33 5.35 5.63 0.00 0.47 1.05 34 P C T 101.75 2.60 9.63 13.86 99.21 -129.85 -65.95 -24.16 84.40 0.58 15.02 12.48 8.76 63.08 5.47 9.49 0.00 0.28 0.45 35 L C T 118.32 2.38 10.20 13.74 99.30 48.66 -86.76 9.10 81.67 0.96 17.37 12.72 7.50 61.15 7.53 9.89 0.01 0.44 0.76 36 Q C T 111.72 3.48 10.36 15.64 107.56 129.71 -67.78 122.10 71.29 0.88 27.83 6.07 5.69 58.05 19.90 9.08 0.06 0.37 0.78 37 G C T 45.25 3.12 12.19 16.48 97.26 21.42 76.53 -11.61 64.34 0.32 35.33 5.11 5.54 52.91 27.77 8.21 0.05 0.14 0.28 38 I H H 97.44 2.77 11.04 15.26 93.43 86.14 -65.17 -40.57 25.93 0.73 73.33 8.75 4.81 13.25 60.56 11.66 0.21 0.36 0.40 39 F H H 134.76 1.64 12.89 14.63 92.85 49.31 -66.16 -39.88 17.90 1.00 81.10 4.35 3.35 11.13 68.90 10.41 0.80 0.51 0.53 40 H H H 117.36 2.00 13.36 15.62 93.39 46.47 -68.76 -39.82 18.52 0.92 80.56 3.72 3.49 12.13 69.35 9.38 0.95 0.45 0.54 41 N H H 85.41 2.98 13.04 17.03 93.81 47.21 -68.49 -39.01 21.49 0.70 77.81 3.59 4.06 14.68 69.80 6.32 0.79 0.29 0.48 42 A H H 58.93 2.63 13.36 16.77 93.65 50.25 -66.72 -41.29 23.77 0.75 75.49 3.51 4.10 16.47 67.33 6.92 0.83 0.34 0.49 43 V H H 88.35 1.87 14.38 16.07 93.28 45.96 -67.65 -41.35 24.92 0.95 74.13 3.27 3.86 18.04 66.26 6.46 1.06 0.44 0.61 44 F H H 113.63 2.32 14.11 16.82 93.34 47.30 -67.31 -40.13 25.79 1.02 73.19 5.18 4.98 17.01 65.59 5.49 0.68 0.47 0.61 45 N H H 77.26 3.37 13.33 17.93 93.33 50.15 -67.56 -37.65 31.18 0.72 68.10 9.95 5.42 17.10 63.45 3.21 0.13 0.32 0.42 46 S H H 55.46 2.93 13.75 17.68 92.45 52.42 -64.46 -41.04 17.63 0.27 82.10 3.95 3.24 11.22 79.20 2.00 0.12 0.12 0.16 47 F H H 120.42 1.75 14.80 16.24 92.19 50.28 -64.79 -41.18 5.35 0.09 94.57 1.22 0.91 3.34 92.91 1.50 0.05 0.04 0.03 48 R H H 125.78 2.18 14.22 16.72 92.26 50.15 -65.27 -40.65 3.20 0.07 96.74 0.79 0.44 2.03 94.89 1.76 0.04 0.04 0.02 49 R H H 124.90 2.65 13.25 16.79 92.04 50.02 -64.99 -40.31 3.39 0.05 96.56 0.65 0.39 2.33 94.39 2.15 0.03 0.03 0.02 50 F H H 118.85 2.31 13.31 16.22 92.48 48.53 -66.50 -39.99 3.93 0.03 96.04 0.57 0.41 2.87 93.94 2.16 0.03 0.01 0.01 51 K H H 131.08 1.59 14.29 15.57 92.47 49.61 -66.44 -38.36 6.21 0.02 93.77 0.45 0.41 5.16 89.24 4.69 0.03 0.01 0.01 52 S H H 67.07 2.32 13.45 16.20 93.86 47.20 -74.75 -28.86 26.86 0.03 73.11 0.49 0.80 26.06 67.39 5.20 0.02 0.01 0.02 53 Q H H 89.44 4.54 11.29 17.50 96.75 50.78 -85.38 -13.84 41.49 0.04 58.47 1.22 1.35 38.61 53.36 5.40 0.01 0.01 0.03 54 F H H 118.62 2.82 11.84 16.04 92.67 74.09 -62.43 -40.11 7.85 0.04 92.10 1.54 0.96 4.76 79.28 13.40 0.01 0.02 0.02 55 L H H 111.27 1.38 13.55 14.45 92.74 51.53 -66.13 -36.86 3.32 0.01 96.66 0.24 0.19 2.50 78.60 18.46 0.00 0.01 0.00 56 Y H H 138.75 2.27 12.81 15.74 94.23 48.36 -71.99 -35.79 3.58 0.02 96.41 0.19 0.19 2.90 78.88 17.82 0.00 0.01 0.00 57 V H H 83.83 3.00 12.58 16.69 94.77 46.87 -74.64 -36.68 9.54 0.04 90.42 0.47 0.65 8.38 81.19 9.25 0.03 0.02 0.02 58 L H H 95.10 1.94 14.10 16.11 92.69 53.59 -65.20 -42.03 5.24 0.02 94.73 0.97 1.14 2.78 94.35 0.73 0.00 0.00 0.01 59 I H H 95.10 1.88 14.84 16.53 92.54 49.14 -64.58 -41.94 2.13 0.00 97.87 0.43 0.19 1.25 97.51 0.61 0.00 0.00 0.00 60 P H H 67.49 3.05 14.18 18.24 92.05 49.20 -64.43 -40.67 1.23 0.00 98.76 0.20 0.07 0.79 98.25 0.69 0.00 0.00 0.00 61 A H H 59.52 2.35 14.86 17.55 91.85 50.17 -64.51 -40.59 0.53 0.00 99.47 0.06 0.03 0.34 99.19 0.38 0.00 0.00 0.00 62 G H H 38.38 1.95 15.09 16.92 91.82 50.54 -64.07 -41.64 0.46 0.00 99.54 0.04 0.02 0.30 99.51 0.12 0.00 0.00 0.00 63 I H H 95.27 1.91 15.27 16.93 91.91 49.69 -64.56 -41.52 0.37 0.00 99.63 0.02 0.01 0.26 99.63 0.07 0.00 0.00 0.00 64 Y H H 123.28 2.30 14.79 17.42 91.82 50.28 -64.05 -41.49 0.23 0.00 99.77 0.01 0.01 0.16 99.78 0.04 0.00 0.00 0.00 65 W H H 140.49 2.06 14.92 17.04 91.75 50.15 -63.95 -41.57 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 66 Y H H 128.54 2.01 15.05 17.04 91.87 50.05 -64.17 -41.72 0.06 0.00 99.94 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 67 W H H 144.43 2.13 15.11 17.34 91.77 49.54 -64.35 -41.87 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 68 W H H 142.67 2.34 15.33 17.83 91.98 48.82 -64.96 -41.55 0.14 0.00 99.86 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 69 K H H 112.46 2.21 16.24 18.22 92.00 49.49 -65.24 -41.31 0.55 0.00 99.45 0.03 0.02 0.45 99.45 0.05 0.00 0.00 0.00 70 N H H 82.50 2.35 16.11 18.46 92.12 49.30 -64.77 -41.00 1.98 0.00 98.02 0.11 0.11 1.60 98.04 0.13 0.00 0.00 0.00 71 G H H 31.91 3.49 14.74 19.48 91.98 51.41 -63.75 -41.35 2.21 0.00 97.79 0.25 0.19 1.57 97.81 0.18 0.00 0.00 0.00 72 N H H 88.32 2.36 16.70 18.88 92.07 49.89 -65.16 -40.97 1.12 0.00 98.87 0.17 0.11 0.73 98.82 0.16 0.00 0.00 0.00 73 E H H 104.04 2.58 16.87 19.49 92.13 50.31 -65.07 -41.26 0.71 0.00 99.29 0.09 0.05 0.47 99.25 0.14 0.00 0.00 0.00 74 Y H H 114.78 4.18 15.85 21.09 92.11 50.31 -64.60 -41.36 0.43 0.00 99.57 0.05 0.03 0.27 99.54 0.11 0.00 0.00 0.00 75 N H H 77.60 3.65 15.99 20.51 91.92 50.43 -64.83 -40.13 0.52 0.00 99.48 0.06 0.03 0.36 99.35 0.20 0.00 0.00 0.00 76 E H H 101.06 2.26 16.78 18.83 91.85 50.54 -64.77 -40.61 0.71 0.00 99.29 0.05 0.04 0.55 98.88 0.48 0.00 0.00 0.00 77 F H H 88.35 5.28 14.40 21.27 92.62 49.69 -66.85 -38.68 1.60 0.00 98.39 0.07 0.07 1.38 97.43 1.04 0.00 0.00 0.00 78 L H H 82.25 6.47 13.41 21.37 92.49 52.83 -70.98 -27.08 13.81 0.01 86.18 0.25 0.36 13.87 84.25 1.25 0.01 0.00 0.00 79 Y C T 161.01 2.04 14.90 17.18 97.50 43.95 -96.27 -5.60 56.63 0.08 43.29 1.30 2.83 51.59 42.68 1.50 0.02 0.02 0.07 80 S C S 44.60 5.33 10.17 17.75 122.49 91.56 -87.94 157.91 95.63 0.97 3.40 12.44 81.15 1.56 3.48 0.23 0.00 0.16 0.98 81 K H H 158.07 1.10 13.83 14.59 91.86 -111.51 -59.96 -37.36 12.54 0.05 87.42 1.17 2.38 9.05 85.08 2.21 0.05 0.02 0.03 82 A H H 66.37 1.94 14.95 16.77 91.41 51.67 -64.60 -39.61 10.96 0.03 89.01 0.82 0.96 8.93 86.36 2.87 0.03 0.01 0.02 83 G H H 14.62 8.91 11.10 22.31 91.89 50.41 -64.37 -40.34 6.43 0.03 93.54 1.14 0.70 4.37 90.49 3.25 0.01 0.02 0.01 84 R H H 124.84 3.47 14.78 19.33 91.71 51.81 -63.25 -41.16 1.82 0.01 98.16 0.56 0.23 0.92 97.27 1.01 0.00 0.00 0.00 85 E H H 109.32 1.34 16.57 16.55 91.73 50.30 -64.39 -40.99 1.33 0.01 98.66 0.32 0.12 0.74 98.12 0.68 0.00 0.01 0.00 86 E H H 90.13 3.16 14.49 18.59 91.91 50.06 -64.54 -40.56 1.48 0.01 98.51 0.34 0.12 0.86 98.01 0.67 0.00 0.01 0.00 87 L H H 64.60 6.06 11.53 19.49 92.08 51.01 -64.60 -40.37 1.92 0.01 98.06 0.45 0.17 1.13 97.24 0.99 0.00 0.00 0.00 88 E H H 117.84 1.58 13.14 14.79 91.67 51.87 -64.94 -38.29 4.33 0.02 95.66 0.70 0.33 3.06 94.29 1.61 0.00 0.01 0.01 89 R H H 160.78 1.17 12.49 13.46 92.64 51.77 -67.96 -34.27 10.69 0.04 89.27 1.59 0.88 7.88 87.13 2.47 0.01 0.02 0.02 90 V H H 91.36 3.60 9.77 14.84 95.35 51.22 -73.85 -25.54 26.51 0.16 73.33 4.74 2.90 18.87 70.88 2.42 0.03 0.06 0.11 91 N C H 119.55 1.88 10.16 13.16 99.34 51.05 -84.40 7.06 61.21 0.22 38.57 21.85 1.32 35.53 39.21 1.86 0.00 0.08 0.15 92 V C C 96.82 3.65 10.41 15.71 106.92 104.07 -83.51 85.96 99.88 0.03 0.09 99.73 0.10 0.10 0.06 0.00 0.00 0.01 0.01