# 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 M C C 60.62 12.98 14.43 27.84 116.47 -136.95 -93.48 131.76 99.94 0.04 0.02 99.81 0.12 0.03 0.01 0.00 0.00 0.02 0.01 1 P C C 59.00 7.47 16.01 24.86 105.30 -115.54 -67.30 134.57 77.88 1.13 20.99 64.61 1.35 11.44 18.73 2.71 0.00 0.50 0.67 2 F C H 81.79 12.56 13.06 25.80 95.68 -124.66 -67.52 -28.62 51.96 1.59 46.45 20.65 9.41 23.56 39.14 5.47 0.11 0.68 0.97 3 F H H 94.34 7.99 13.83 23.01 93.90 59.13 -66.80 -36.95 31.73 1.14 67.13 12.48 7.21 14.52 58.65 5.86 0.15 0.57 0.56 4 D H H 76.20 3.36 16.27 20.23 93.42 54.09 -66.45 -37.71 19.87 0.51 79.63 11.61 3.57 6.57 73.63 4.13 0.03 0.27 0.19 5 V H H 44.40 8.69 13.70 24.14 92.89 52.66 -66.30 -41.18 5.82 0.17 94.02 2.13 1.00 3.15 89.99 3.54 0.03 0.10 0.05 6 Q H H 47.53 11.68 11.75 24.54 92.65 52.39 -64.90 -40.17 3.21 0.10 96.68 0.93 0.45 1.93 92.87 3.70 0.02 0.07 0.02 7 K H H 137.07 2.25 14.57 17.59 92.31 52.12 -65.40 -39.71 3.52 0.08 96.40 0.75 0.40 2.32 91.45 4.99 0.01 0.05 0.02 8 R H H 154.61 2.46 13.92 17.26 92.22 52.18 -67.03 -33.14 10.06 0.09 89.85 0.87 0.83 8.33 85.05 4.79 0.05 0.05 0.04 9 L H H 77.91 7.85 11.58 20.92 95.45 44.31 -91.99 -1.12 46.75 0.18 53.08 1.19 2.50 42.94 48.99 4.10 0.08 0.07 0.15 10 G C T 58.43 1.41 16.40 17.35 95.36 -113.09 75.05 18.45 99.40 0.07 0.53 9.48 3.26 86.83 0.24 0.13 0.00 0.04 0.02 11 V C C 46.23 12.62 9.22 22.63 116.63 137.74 -100.77 129.09 97.49 1.77 0.74 90.69 5.90 0.89 0.43 0.23 0.00 0.76 1.08 12 D C C 82.49 4.06 17.35 22.16 109.21 -145.16 -91.46 111.20 97.28 1.67 1.05 95.33 1.44 0.80 0.64 0.20 0.00 0.65 0.94 13 L H H 59.94 13.47 12.52 26.31 95.50 -168.45 -70.28 -29.63 40.33 1.27 58.40 25.28 5.87 11.47 47.06 9.00 0.04 0.60 0.68 14 D H H 81.25 5.16 16.09 22.33 93.07 64.75 -65.16 -36.35 23.22 0.46 76.32 4.19 3.37 15.41 62.06 14.32 0.17 0.26 0.22 15 R H H 124.82 4.35 16.89 22.04 93.36 51.92 -68.05 -37.28 16.36 0.38 83.26 3.11 2.20 10.48 67.02 16.70 0.11 0.24 0.14 16 W H H 80.34 11.92 14.48 27.01 93.06 51.89 -67.13 -40.10 13.31 0.63 86.06 4.33 2.20 7.11 72.13 13.52 0.09 0.43 0.19 17 M H H 74.53 9.65 15.97 26.39 93.14 51.53 -67.58 -38.43 13.91 1.93 84.16 5.98 2.64 6.76 73.60 9.02 0.15 1.39 0.46 18 T H H 70.54 5.20 17.85 23.71 94.35 51.72 -69.47 -37.20 16.36 2.41 81.22 7.24 3.17 7.71 71.66 7.62 0.16 1.90 0.53 19 I H H 73.99 8.46 16.95 26.21 95.95 48.48 -74.75 -33.55 18.07 2.10 79.83 7.40 3.68 8.78 69.74 8.12 0.19 1.58 0.52 20 Q H H 65.64 12.51 15.39 28.06 97.03 58.10 -73.36 -26.39 25.96 2.24 71.80 9.85 5.18 12.95 61.47 8.11 0.24 1.44 0.75 21 S H H 55.39 8.99 15.88 25.57 100.83 57.33 -82.64 -1.13 43.13 1.95 54.91 15.02 8.31 21.83 44.19 8.51 0.19 1.01 0.94 22 A C C 52.03 8.69 14.28 24.08 113.64 106.74 -87.90 139.26 63.46 2.87 33.67 25.70 15.68 23.45 23.97 8.33 0.11 1.30 1.46 23 E C C 113.10 6.26 14.29 21.78 113.02 -118.70 -83.99 132.67 75.15 5.81 19.04 40.96 18.96 15.74 11.93 6.45 0.06 2.46 3.44 24 Q C C 75.90 9.75 10.58 21.50 118.03 -145.48 -97.01 139.59 91.15 4.44 4.41 59.50 25.78 5.51 2.21 2.16 0.00 1.78 3.06 25 P C T 91.81 4.45 12.51 18.39 100.28 -112.78 -66.43 -4.71 88.47 1.25 10.27 23.25 15.94 49.37 2.04 8.10 0.00 0.65 0.65 26 H C T 131.30 3.84 11.97 17.11 100.25 36.42 -89.30 17.27 87.60 1.45 10.95 16.90 19.51 51.23 2.17 8.59 0.00 0.74 0.85 27 K C S 138.01 4.40 12.45 18.50 102.78 -115.86 28.42 34.20 87.61 3.37 9.02 35.14 36.58 16.00 1.90 6.67 0.00 1.38 2.32 28 I C C 88.88 6.41 12.31 20.44 119.48 123.36 -102.73 137.39 94.37 3.75 1.88 46.37 44.12 3.97 0.78 0.99 0.00 1.51 2.26 29 P C C 73.48 7.47 13.73 22.58 112.28 -102.63 -66.12 146.48 94.86 2.51 2.62 72.84 15.67 6.08 1.06 1.47 0.00 1.09 1.78 30 S C C 49.13 10.36 13.26 24.27 116.53 -129.61 -82.15 163.85 90.45 2.12 7.43 70.13 12.81 6.93 3.55 3.63 0.00 0.72 2.24 31 R C T 141.54 5.43 18.05 24.46 93.67 -101.66 -66.67 -25.61 90.20 0.37 9.43 2.40 7.14 81.31 4.26 4.35 0.01 0.18 0.35 32 C C T 19.45 18.40 13.07 31.50 97.32 48.73 -97.57 -1.46 90.20 0.11 9.69 3.77 4.02 83.19 5.83 3.03 0.00 0.05 0.10 33 H H H 69.52 11.87 15.82 28.52 92.65 96.88 -59.91 -42.00 3.01 0.01 96.98 1.25 0.42 1.12 96.35 0.86 0.00 0.00 0.00 34 A H H 60.50 3.22 21.99 24.77 91.57 51.91 -64.17 -39.88 0.61 0.00 99.39 0.10 0.04 0.36 99.09 0.42 0.00 0.00 0.00 35 F H H 46.55 13.60 19.13 33.11 92.22 49.85 -65.71 -41.09 0.27 0.00 99.73 0.04 0.02 0.16 99.42 0.36 0.00 0.00 0.00 36 E H H 27.24 18.97 17.81 36.35 91.87 51.87 -63.44 -42.00 0.12 0.00 99.88 0.02 0.00 0.07 99.83 0.08 0.00 0.00 0.00 37 K H H 98.43 6.74 22.79 29.85 91.70 51.12 -63.89 -41.03 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 38 E H H 84.04 7.14 23.21 30.58 91.72 50.37 -64.75 -41.08 0.16 0.00 99.84 0.01 0.00 0.13 99.80 0.05 0.00 0.00 0.00 39 W H H 26.87 19.63 19.52 38.78 92.02 50.10 -64.46 -42.70 0.21 0.00 99.79 0.01 0.01 0.17 99.70 0.11 0.00 0.00 0.00 40 I H H 39.91 14.77 21.23 35.79 91.79 50.41 -63.76 -42.25 0.44 0.00 99.56 0.03 0.02 0.34 99.36 0.25 0.00 0.00 0.00 41 E H H 100.43 3.87 25.37 29.04 91.69 50.51 -64.48 -40.84 2.17 0.00 97.83 0.11 0.09 1.90 97.02 0.88 0.00 0.00 0.00 42 C H H 21.70 12.76 19.93 33.75 92.04 50.60 -65.07 -40.63 5.55 0.02 94.43 0.43 0.37 4.60 91.72 2.85 0.01 0.01 0.01 43 A H H 14.22 17.41 17.37 34.98 91.93 52.43 -65.12 -37.53 8.65 0.13 91.22 1.64 1.11 5.99 83.82 7.26 0.06 0.06 0.07 44 H H H 103.12 7.20 20.25 27.93 92.86 52.98 -67.70 -34.15 13.62 0.22 86.16 1.89 1.51 10.17 76.39 9.68 0.13 0.12 0.11 45 G H H 40.23 6.01 18.45 25.16 94.09 56.33 -71.80 -28.19 22.77 0.27 76.96 2.40 2.53 17.60 68.39 8.65 0.14 0.13 0.15 46 I C T 67.69 11.79 14.42 26.52 100.49 47.68 -90.55 -2.40 60.18 0.82 38.99 4.12 8.59 46.22 33.54 6.30 0.21 0.36 0.68 47 G C T 40.39 5.34 17.12 23.35 112.32 -78.85 90.68 -49.60 83.16 0.63 16.21 16.94 11.27 54.64 13.15 3.32 0.00 0.27 0.40 48 S C H 61.36 7.24 14.81 22.87 103.00 6.40 -73.88 -32.79 61.78 1.30 36.92 17.16 23.23 22.61 27.26 8.25 0.10 0.49 0.90 49 I C H 101.91 5.37 16.01 22.12 97.33 20.12 -72.24 -25.00 54.08 1.40 44.52 7.83 14.76 31.88 34.51 9.11 0.39 0.64 0.88 50 R H H 114.68 6.04 18.29 24.84 96.87 54.10 -74.06 -20.39 48.11 1.41 50.48 17.14 7.71 24.85 40.10 8.68 0.10 0.70 0.72 51 A H H 12.00 16.88 13.31 30.76 94.11 75.10 -63.84 -41.54 16.31 0.66 83.03 8.54 3.14 6.08 72.68 8.86 0.05 0.39 0.26 52 E H H 76.96 11.69 17.44 29.28 92.60 53.25 -64.01 -39.70 9.14 0.44 90.42 3.11 1.53 4.79 78.07 12.00 0.05 0.32 0.12 53 K H H 120.82 2.52 21.58 23.25 92.91 50.37 -67.04 -39.40 8.84 0.41 90.75 2.42 1.43 5.12 77.37 13.18 0.06 0.31 0.10 54 E H H 75.48 8.69 18.71 28.11 93.07 48.90 -70.62 -34.17 15.23 0.63 84.14 3.68 2.88 9.40 72.99 10.21 0.20 0.38 0.27 55 C H H 12.35 19.73 12.01 31.46 95.90 52.88 -79.03 -20.24 46.43 1.33 52.25 20.08 8.03 19.96 43.84 6.62 0.08 0.59 0.81 56 K H H 113.75 6.29 17.55 24.98 93.90 76.88 -63.83 -37.83 48.13 1.01 50.86 14.89 9.10 25.28 41.00 8.58 0.10 0.46 0.60 57 I H H 100.51 3.65 17.83 21.74 94.65 48.40 -71.91 -35.76 45.40 0.87 53.73 8.25 10.36 27.93 42.11 10.13 0.25 0.40 0.55 58 E H H 78.42 10.20 15.94 26.59 99.37 44.36 -86.92 -22.55 42.62 1.00 56.38 10.10 10.03 23.65 42.25 12.62 0.25 0.47 0.62 59 F H H 73.41 14.11 15.39 28.87 97.75 -30.79 -63.63 -18.37 41.49 1.09 57.42 12.35 8.61 22.01 41.93 13.75 0.20 0.51 0.64 60 E H H 96.72 6.89 19.00 26.37 96.34 85.62 -68.66 -29.25 42.72 1.12 56.17 15.00 9.45 20.03 42.60 11.66 0.12 0.51 0.64 61 D H H 47.10 10.93 18.12 29.69 98.09 46.02 -82.18 -15.76 46.08 0.88 53.04 29.12 6.23 11.56 44.80 7.39 0.01 0.40 0.47 62 F H H 36.34 18.84 15.89 34.12 94.15 87.73 -64.40 -38.68 18.27 0.30 81.43 8.16 3.67 7.77 75.86 4.21 0.04 0.14 0.14 63 R H H 111.43 7.43 21.47 29.22 92.50 53.87 -64.60 -40.38 8.17 0.13 91.70 2.21 1.39 4.94 87.17 4.12 0.05 0.07 0.05 64 E H H 64.30 7.07 20.29 28.39 92.21 50.67 -64.94 -41.05 5.31 0.07 94.62 1.16 0.71 3.34 88.95 5.75 0.03 0.04 0.02 65 C H H 14.00 17.36 15.68 33.50 92.27 50.08 -66.11 -38.49 6.02 0.04 93.94 0.84 0.61 4.19 86.49 7.81 0.02 0.02 0.01 66 L H H 56.21 13.18 17.49 30.89 92.54 50.97 -72.46 -26.12 17.83 0.05 82.12 0.88 1.17 15.48 75.78 6.58 0.05 0.02 0.03 67 L H H 98.37 4.57 19.06 24.15 97.06 49.13 -90.73 -6.76 47.56 0.20 52.24 2.99 5.02 39.06 48.00 4.60 0.09 0.07 0.16 68 R C C 83.96 12.28 12.24 25.05 112.27 104.38 -80.01 127.84 85.38 1.47 13.15 47.43 33.52 3.33 13.31 0.88 0.00 0.30 1.21 69 Q H H 117.10 3.30 17.55 21.67 94.06 -147.21 -63.95 -36.90 2.45 0.01 97.54 0.59 0.38 1.30 97.11 0.61 0.00 0.00 0.00 70 K H H 85.88 6.92 17.56 25.54 92.43 53.05 -65.56 -39.72 1.22 0.00 98.78 0.21 0.11 0.77 98.06 0.85 0.00 0.00 0.00 71 T H H 24.54 14.26 15.43 30.52 92.62 50.49 -65.29 -41.19 0.59 0.00 99.40 0.12 0.05 0.35 98.64 0.85 0.00 0.00 0.00 72 M H H 70.79 8.20 18.23 27.42 91.82 51.25 -63.88 -41.48 0.40 0.00 99.60 0.07 0.03 0.23 99.49 0.19 0.00 0.00 0.00 73 K H H 114.24 2.73 21.30 23.47 91.58 50.56 -64.66 -41.74 0.34 0.00 99.66 0.05 0.01 0.19 99.69 0.05 0.00 0.00 0.00 74 R H H 85.61 9.71 18.78 28.92 91.72 50.17 -64.62 -41.19 0.17 0.00 99.83 0.02 0.00 0.11 99.84 0.04 0.00 0.00 0.00 75 L H H 41.21 13.04 17.32 31.03 91.82 50.43 -63.98 -41.61 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 76 H H H 98.04 3.56 21.20 24.55 91.72 50.24 -64.11 -41.44 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 77 A H H 40.19 4.65 19.74 25.24 91.47 50.50 -63.38 -42.35 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 78 I H H 37.99 12.45 17.29 30.73 92.06 49.41 -64.50 -42.30 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 79 R H H 99.28 8.35 18.81 27.70 91.60 50.56 -63.33 -41.33 0.18 0.00 99.82 0.02 0.00 0.12 99.84 0.02 0.00 0.00 0.00 80 R H H 131.56 2.10 21.04 22.05 91.69 49.91 -64.44 -42.01 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 81 Q H H 68.99 6.34 19.04 26.21 91.72 49.77 -64.74 -41.28 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 82 R H H 66.53 12.52 16.39 29.37 91.87 50.22 -64.24 -41.11 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 83 E H H 90.76 4.31 19.03 23.83 91.53 50.46 -63.88 -40.72 0.10 0.00 99.90 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 84 K H H 104.06 2.21 19.17 20.55 91.53 50.60 -64.15 -41.24 0.12 0.00 99.88 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 85 L H H 39.54 7.61 14.31 24.22 91.67 50.09 -64.47 -41.11 0.24 0.00 99.76 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 86 I H H 58.57 8.75 12.31 22.63 92.07 49.89 -64.22 -42.04 0.42 0.00 99.58 0.03 0.02 0.32 99.40 0.23 0.00 0.00 0.00 87 K H H 151.48 1.34 14.13 15.51 91.01 51.90 -65.04 -32.79 2.65 0.00 97.35 0.06 0.07 2.56 97.01 0.29 0.00 0.00 0.00 88 E C T 127.41 1.71 12.59 14.62 91.73 52.37 -84.33 -6.71 74.74 0.02 25.24 0.20 0.80 73.10 25.34 0.53 0.00 0.00 0.02 89 G C T 56.24 2.13 11.59 15.12 95.27 -112.84 79.73 11.47 99.51 0.01 0.48 0.61 1.79 97.31 0.23 0.06 0.00 0.00 0.00 90 K C S 134.18 2.43 13.25 16.80 95.59 122.76 -80.74 -19.09 99.38 0.33 0.29 20.48 73.73 5.19 0.07 0.21 0.00 0.13 0.18 91 Y C S 73.69 12.16 9.40 22.14 128.58 35.01 -130.80 145.68 97.57 2.04 0.39 30.17 62.80 4.35 0.10 0.27 0.00 0.62 1.68 92 T C C 93.41 2.68 17.20 20.62 120.00 -145.12 -110.26 138.15 98.83 1.12 0.05 80.21 18.42 0.26 0.02 0.03 0.00 0.44 0.63 93 P C C 70.89 9.77 12.00 22.82 116.17 -101.95 -65.04 149.32 99.66 0.30 0.04 89.83 9.66 0.19 0.01 0.02 0.00 0.10 0.19 94 P C C 55.20 8.50 11.39 21.69 115.82 -103.36 -64.75 152.03 98.27 0.24 1.50 89.68 6.21 2.28 0.36 1.20 0.00 0.09 0.18 95 P C C 111.10 2.04 13.96 16.64 95.59 -105.10 -64.80 -21.65 87.48 0.86 11.66 48.65 18.95 18.80 1.97 10.67 0.00 0.38 0.58 96 H C C 112.60 5.41 11.34 18.15 109.53 55.05 -97.54 71.24 79.78 4.13 16.09 47.59 14.91 16.58 3.31 13.29 0.00 1.91 2.40 97 H C C 91.14 9.70 9.27 19.67 107.06 88.02 -88.11 95.30 78.48 6.07 15.45 49.62 13.56 14.77 3.84 11.82 0.01 3.00 3.38 98 S C T 79.79 3.34 11.83 16.43 101.74 118.65 -89.15 13.52 86.97 2.60 10.43 31.28 20.75 35.45 2.10 7.80 0.01 1.22 1.39 99 G C T 54.30 3.05 10.64 15.22 103.84 -99.93 80.48 8.93 91.50 1.47 7.02 29.46 28.53 33.35 1.05 6.14 0.00 0.67 0.80 100 Q C C 123.35 3.02 9.37 14.28 114.55 129.43 -90.28 137.50 92.88 2.79 4.33 57.78 26.86 7.86 1.03 3.40 0.00 1.17 1.90 101 E C C 141.94 2.23 9.97 13.92 114.56 -120.63 -86.98 139.02 95.04 2.72 2.24 67.13 22.32 5.25 0.61 1.68 0.00 1.20 1.79 102 E C C 130.85 3.30 9.45 14.77 115.54 -109.89 -83.12 136.83 98.26 1.27 0.47 75.93 21.25 1.10 0.17 0.27 0.00 0.56 0.70 103 P C C 90.67 5.04 8.02 14.95 111.83 -107.42 -67.38 144.05 97.47 0.97 1.55 83.75 6.88 6.81 0.40 1.09 0.00 0.49 0.58 104 R C C 175.13 1.96 8.60 12.23 110.75 -127.26 -87.89 125.59 98.25 0.84 0.91 92.11 1.48 4.93 0.23 0.41 0.00 0.36 0.47 105 S C C 87.09 2.39 10.28 14.21 109.90 -105.93 -80.97 132.95 99.91 0.07 0.02 99.66 0.20 0.08 0.00 0.00 0.00 0.03 0.01