# 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 A C C 57.48 8.03 12.99 21.91 106.80 -138.36 -78.78 117.84 99.38 0.10 0.52 99.18 0.13 0.18 0.42 0.02 0.00 0.04 0.02 1 A C C 71.36 3.58 11.76 16.55 99.91 89.38 -72.88 -28.69 63.32 0.98 35.69 55.88 1.19 4.82 36.33 0.96 0.00 0.38 0.44 2 R H H 159.51 1.88 11.30 13.98 95.90 57.92 -68.77 -35.35 31.87 0.78 67.35 21.62 4.75 5.62 66.10 1.31 0.00 0.32 0.29 3 V H H 87.04 3.60 11.91 16.61 94.20 54.09 -67.21 -38.67 12.80 0.26 86.95 7.74 1.79 3.39 85.78 1.10 0.00 0.12 0.08 4 G H H 31.93 4.68 12.42 18.74 93.24 52.86 -64.49 -40.88 5.26 0.08 94.66 2.93 0.74 1.68 93.74 0.84 0.00 0.04 0.02 5 A H H 57.02 2.53 14.60 17.64 92.47 51.78 -65.17 -40.51 1.76 0.03 98.21 0.81 0.24 0.72 97.69 0.51 0.00 0.01 0.01 6 F H H 112.27 2.80 14.99 18.37 92.47 50.61 -65.23 -41.55 0.82 0.01 99.17 0.30 0.10 0.40 98.91 0.29 0.00 0.01 0.00 7 L H H 75.97 6.03 14.21 21.47 92.58 49.55 -65.74 -40.92 0.71 0.01 99.28 0.22 0.08 0.38 99.08 0.23 0.00 0.01 0.00 8 K H H 112.14 3.64 15.81 20.24 92.20 50.78 -64.70 -40.99 1.03 0.01 98.96 0.23 0.10 0.64 98.73 0.29 0.00 0.01 0.00 9 N H H 90.73 2.01 16.87 18.30 92.63 48.92 -66.15 -39.87 2.24 0.01 97.75 0.32 0.17 1.66 97.35 0.47 0.01 0.01 0.00 10 A H H 44.57 5.22 14.07 20.97 92.58 50.79 -65.55 -39.58 5.02 0.02 94.96 0.57 0.38 3.84 93.48 1.69 0.01 0.01 0.01 11 W H H 109.77 8.70 12.36 22.21 92.99 52.06 -69.48 -30.31 17.31 0.07 82.62 1.60 1.19 14.06 78.31 4.73 0.03 0.03 0.04 12 D H H 101.25 2.95 14.49 18.17 93.75 57.31 -76.04 -17.09 43.47 0.12 56.42 2.75 2.75 36.83 54.11 3.40 0.03 0.05 0.08 13 K C T 145.63 1.75 14.60 16.24 100.39 52.74 -89.46 -16.84 60.03 0.30 39.67 5.66 10.00 43.15 37.68 3.13 0.04 0.11 0.23 14 E C S 90.58 6.91 11.09 19.55 116.89 34.88 -96.95 133.33 92.68 0.69 6.64 33.43 55.36 3.31 6.58 0.66 0.00 0.19 0.49 15 P C C 68.90 5.28 13.67 20.41 109.29 -112.51 -67.78 139.70 81.15 1.24 17.61 72.16 3.04 4.05 18.46 1.18 0.00 0.49 0.63 16 V H H 83.33 7.45 12.27 21.01 94.61 -130.98 -63.54 -35.19 14.67 0.46 84.87 6.98 2.80 5.84 82.23 1.76 0.02 0.20 0.17 17 L H H 102.64 2.95 15.15 18.75 92.62 55.16 -65.76 -37.94 6.15 0.25 93.60 2.06 0.87 3.44 91.56 1.81 0.03 0.16 0.06 18 V H H 76.79 3.19 16.13 19.76 92.66 49.22 -66.18 -41.04 2.46 0.11 97.43 0.89 0.32 1.29 95.99 1.41 0.01 0.07 0.02 19 V H H 54.34 7.53 14.78 23.76 92.37 50.55 -64.81 -42.00 1.08 0.03 98.89 0.34 0.13 0.56 98.18 0.76 0.00 0.02 0.00 20 S H H 44.96 7.06 15.02 23.58 91.96 51.01 -64.54 -40.34 1.13 0.01 98.86 0.23 0.09 0.71 98.30 0.65 0.00 0.01 0.00 21 F H H 122.75 2.54 17.80 20.20 92.38 49.54 -65.86 -40.47 1.45 0.01 98.54 0.18 0.10 1.07 98.00 0.63 0.01 0.00 0.00 22 V H H 77.19 3.80 17.76 21.84 92.60 48.80 -65.94 -41.79 2.17 0.02 97.81 0.25 0.16 1.64 97.27 0.65 0.01 0.01 0.01 23 V H H 61.64 7.97 16.15 25.03 92.60 48.24 -65.72 -41.38 2.79 0.02 97.19 0.31 0.22 2.13 96.44 0.87 0.01 0.01 0.01 24 G H H 31.56 5.85 15.68 22.88 91.91 51.99 -63.52 -40.73 5.83 0.02 94.15 0.42 0.35 4.95 92.14 2.10 0.01 0.01 0.01 25 G H H 39.08 2.34 17.38 19.39 92.11 50.77 -65.34 -40.04 12.10 0.03 87.87 0.62 0.61 10.89 84.45 3.38 0.02 0.01 0.02 26 L H H 82.40 4.32 16.00 21.15 92.63 50.58 -68.58 -36.38 6.75 0.04 93.21 0.72 0.59 5.18 85.55 7.89 0.02 0.02 0.02 27 A H H 40.44 9.32 11.40 22.12 92.17 59.13 -64.88 -34.71 8.59 0.08 91.34 0.82 0.60 6.33 74.58 17.55 0.03 0.05 0.03 28 V H H 106.39 2.10 14.69 17.19 93.49 52.07 -72.50 -29.75 18.45 0.06 81.49 0.70 0.86 16.12 67.32 14.87 0.06 0.03 0.04 29 I H H 127.92 1.30 14.31 14.97 96.48 45.95 -83.18 -23.34 26.95 0.16 72.88 1.15 2.83 23.22 63.93 8.43 0.24 0.07 0.14 30 L C C 83.77 5.85 9.85 17.44 110.28 56.59 -104.03 94.52 88.64 0.88 10.47 42.74 42.61 3.62 7.07 2.85 0.01 0.22 0.89 31 P H G 83.97 4.94 10.88 17.64 104.50 -159.97 -65.87 119.81 29.99 0.33 69.69 7.51 3.49 17.22 5.54 65.96 0.00 0.20 0.09 32 P H G 105.11 2.18 12.76 15.71 97.09 54.21 -71.95 -8.82 31.69 0.27 68.04 4.09 3.73 22.34 5.47 64.09 0.00 0.16 0.11 33 L H G 104.65 4.19 12.38 17.81 100.94 54.47 -90.41 3.59 30.94 0.80 68.27 8.50 6.49 16.72 6.02 61.54 0.01 0.43 0.30 34 S C C 39.21 9.94 9.91 21.16 113.47 114.22 -87.36 128.49 87.57 1.52 10.91 52.77 30.85 4.08 7.62 2.90 0.00 0.45 1.32 35 P C T 84.95 3.79 14.11 19.00 95.96 -132.94 -64.94 -26.94 62.24 0.75 37.01 17.26 13.08 32.68 29.49 6.65 0.05 0.32 0.48 36 Y C H 122.96 5.69 13.50 20.37 95.87 55.12 -75.71 -18.72 49.85 0.94 49.21 16.56 8.27 25.85 42.32 5.99 0.07 0.44 0.51 37 F H H 98.13 7.09 13.36 21.80 94.48 77.19 -66.97 -39.08 21.76 0.58 77.66 12.14 3.75 6.83 72.43 4.30 0.02 0.31 0.22 38 K H H 129.67 2.39 16.69 19.12 92.90 52.36 -65.76 -39.53 7.86 0.15 91.98 2.90 1.37 3.98 89.46 2.13 0.02 0.08 0.05 39 Y H H 112.38 4.41 16.67 21.84 93.32 49.09 -67.10 -40.48 3.23 0.07 96.71 1.12 0.49 1.65 95.52 1.16 0.01 0.04 0.02 40 S H H 31.39 9.67 13.76 25.04 92.73 52.13 -64.72 -41.21 1.68 0.04 98.28 0.72 0.20 0.71 97.82 0.52 0.00 0.02 0.01 41 V H H 69.95 4.75 16.70 22.53 92.25 50.84 -64.65 -41.20 0.85 0.03 99.11 0.31 0.09 0.40 98.88 0.30 0.00 0.02 0.00 42 M H H 95.91 2.56 17.79 20.13 92.24 49.78 -64.99 -41.31 0.68 0.02 99.30 0.19 0.06 0.36 99.07 0.30 0.00 0.02 0.00 43 I H H 64.77 6.87 15.11 23.47 92.47 48.91 -65.84 -40.75 0.86 0.02 99.12 0.18 0.07 0.52 98.85 0.35 0.00 0.01 0.00 44 N H H 62.56 9.61 12.89 23.67 92.32 51.57 -66.13 -35.41 2.47 0.01 97.52 0.30 0.16 1.84 97.01 0.68 0.00 0.00 0.00 45 K H H 146.08 1.94 15.71 17.97 92.49 53.22 -70.10 -29.07 9.54 0.01 90.44 0.30 0.36 9.12 89.40 0.81 0.01 0.00 0.00 46 A H H 75.45 2.66 14.34 17.35 96.06 47.53 -83.09 -15.94 19.43 0.04 80.53 0.64 1.50 17.35 79.80 0.63 0.03 0.01 0.03 47 T C S 52.26 8.70 10.28 20.55 118.26 48.35 -122.96 116.66 98.51 1.03 0.46 41.26 56.64 0.61 0.30 0.12 0.00 0.28 0.78 48 P C T 88.06 4.80 13.25 19.64 95.77 -154.00 -67.30 -17.67 78.44 1.64 19.92 21.89 9.27 45.42 1.27 20.62 0.00 1.00 0.52 49 Y C T 130.39 6.99 12.90 20.95 106.06 66.89 -91.11 47.66 78.51 3.53 17.95 14.29 13.21 49.48 1.15 18.60 0.00 2.19 1.07 50 N C C 95.38 5.73 14.73 21.84 108.26 96.93 -96.54 88.01 75.51 5.61 18.89 41.32 18.47 14.18 1.72 18.93 0.00 2.99 2.38 51 Y C C 92.22 10.88 10.53 22.36 117.35 -151.41 -102.43 127.45 91.50 7.36 1.14 58.92 29.02 3.40 0.37 0.84 0.00 3.32 4.12 52 P C S 89.38 4.73 15.01 20.86 97.93 -143.92 -73.41 -8.71 96.57 2.67 0.76 39.53 50.69 6.61 0.19 0.55 0.00 1.43 0.99 53 V C S 74.04 7.29 10.78 19.69 119.18 81.93 -107.57 133.49 92.49 5.79 1.72 31.90 55.51 5.41 0.61 0.91 0.00 2.67 2.99 54 P C C 80.83 5.14 12.46 19.19 111.32 -112.89 -68.21 145.21 91.20 4.79 4.02 66.35 16.89 7.88 1.18 2.84 0.00 2.73 2.13 55 V C C 98.11 4.80 10.30 16.89 114.89 -134.15 -95.21 132.00 79.93 12.56 7.51 55.40 15.52 7.97 3.03 4.51 0.02 5.92 7.63 56 R C C 141.77 4.77 9.24 15.77 112.53 -145.43 -89.90 129.64 80.40 10.98 8.62 54.88 13.84 10.92 2.84 5.83 0.01 5.67 6.00 57 D C C 105.76 3.03 9.43 14.06 106.80 -151.44 -87.89 80.19 80.65 7.99 11.35 37.01 20.68 23.58 2.36 8.48 0.03 3.68 4.18 58 D C T 116.37 1.92 10.45 13.43 99.48 -41.87 -83.03 16.02 87.40 1.88 10.72 17.43 22.48 47.21 1.61 9.18 0.01 0.94 1.14 59 G C T 51.24 3.96 10.02 15.62 101.03 -97.41 80.86 5.39 90.63 1.63 7.75 17.37 31.12 41.68 0.86 7.29 0.00 0.82 0.86 60 N C C 110.81 2.58 11.40 15.33 106.07 116.93 -93.41 58.46 88.65 7.53 3.82 45.11 29.81 13.48 0.69 3.38 0.00 3.16 4.37 61 M C C 92.79 7.89 8.86 18.06 117.90 113.89 -95.40 134.55 90.84 8.39 0.78 64.68 23.92 2.00 0.23 0.60 0.00 3.61 4.96 62 P C C 70.04 6.23 11.17 19.22 114.21 -110.79 -67.79 152.16 94.23 3.79 1.97 59.47 12.63 21.91 0.31 1.93 0.00 2.29 1.47 63 D C C 121.36 1.98 13.27 16.29 100.47 -121.53 -82.25 17.84 94.61 3.74 1.65 38.70 31.77 24.25 0.21 1.70 0.00 1.98 1.39 64 V C S 81.37 6.08 10.82 18.77 121.68 84.72 -111.72 135.59 92.10 7.39 0.50 43.04 47.94 1.67 0.15 0.35 0.00 3.18 3.68 65 P C C 77.97 5.60 12.51 19.79 114.17 -104.57 -66.78 149.55 94.12 4.80 1.08 78.69 10.07 4.90 0.21 1.05 0.00 2.61 2.47 66 S C C 71.90 6.21 11.58 19.26 105.60 -125.72 -82.97 61.82 94.54 4.14 1.32 55.81 33.20 5.05 0.31 1.09 0.00 1.56 2.98 67 H C C 100.81 5.95 11.75 19.32 116.64 -128.86 -106.70 125.74 95.48 3.12 1.40 64.82 26.06 3.97 0.26 1.28 0.00 1.08 2.52 68 P C T 82.18 6.33 10.58 18.60 98.95 -135.54 -66.12 -17.57 96.11 0.65 3.23 24.44 13.17 57.88 0.31 3.52 0.00 0.36 0.33 69 Q C T 142.10 1.68 12.17 14.60 99.67 44.58 -87.18 -1.97 95.42 1.21 3.37 19.24 17.94 57.70 0.38 3.51 0.00 0.65 0.58 70 D C C 72.13 5.92 9.59 17.47 112.64 95.66 -95.18 118.46 96.54 2.69 0.76 56.22 38.35 1.71 0.21 0.50 0.00 0.82 2.18 71 P C T 103.80 3.51 11.03 16.47 95.25 -151.21 -68.21 -11.30 97.38 0.74 1.88 29.57 23.85 43.86 0.28 1.70 0.00 0.38 0.35 72 Q C T 125.89 3.08 12.36 16.58 101.63 68.41 -89.06 -1.81 91.34 5.50 3.15 28.64 25.84 37.32 0.68 2.36 0.01 2.49 2.65 73 G C S 27.72 7.49 13.07 21.97 128.13 -123.12 112.13 -176.46 92.65 5.14 2.21 34.28 54.01 4.49 0.92 1.10 0.00 2.08 3.11 74 P C C 75.52 6.32 15.00 22.36 111.09 -36.95 -69.82 142.56 90.76 2.79 6.45 60.48 21.08 9.26 3.69 2.54 0.00 1.22 1.71 75 S C C 45.65 8.24 14.34 23.88 117.08 -136.60 -87.24 150.88 78.66 3.03 18.31 63.41 8.79 5.45 16.38 2.62 0.00 1.00 2.35 76 L H H 72.64 9.52 12.11 22.76 94.98 -125.14 -67.39 -26.05 17.59 0.36 82.05 9.81 3.62 5.73 74.17 6.29 0.02 0.18 0.17 77 E H H 111.00 2.32 15.40 18.06 92.54 70.81 -63.27 -38.15 6.28 0.11 93.61 1.93 0.88 3.41 82.92 10.74 0.01 0.08 0.03 78 W H H 98.10 6.19 12.25 20.38 92.48 53.54 -65.10 -39.33 3.81 0.06 96.13 0.96 0.46 2.19 83.35 12.98 0.00 0.04 0.01 79 L H H 63.73 9.84 10.17 21.07 92.98 52.64 -67.56 -35.07 4.97 0.06 94.97 1.26 0.63 2.85 82.65 12.54 0.01 0.04 0.02 80 K H H 137.58 2.69 11.78 15.83 92.75 56.58 -67.61 -29.42 24.03 0.20 75.77 3.10 2.29 18.33 66.94 9.06 0.06 0.09 0.13 81 K C H 153.71 1.30 12.15 13.55 96.54 51.95 -83.10 -7.23 53.59 0.19 46.22 13.20 1.27 38.73 42.15 4.43 0.00 0.07 0.16 82 L C C 85.63 9.22 9.72 19.66 101.48 101.02 -75.20 11.23 99.74 0.03 0.23 99.09 0.24 0.41 0.22 0.01 0.00 0.01 0.01