# 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 P C C 52.44 11.02 17.83 29.27 108.53 -115.25 -70.56 136.62 99.72 0.12 0.16 99.37 0.24 0.20 0.09 0.01 0.00 0.05 0.04 1 F C C 74.01 13.30 13.79 26.93 100.18 -143.57 -78.29 -8.28 69.05 5.73 25.22 58.12 3.01 7.10 23.63 2.34 0.00 2.31 3.49 2 F H H 109.52 6.18 13.38 20.89 95.24 81.51 -67.50 -35.98 35.53 2.38 62.09 19.02 7.12 11.72 56.54 3.29 0.12 1.20 1.00 3 D H H 82.92 3.19 15.14 19.01 94.98 54.71 -69.80 -32.33 18.82 0.63 80.55 9.61 3.32 7.48 75.67 3.29 0.04 0.38 0.22 4 V H H 44.73 9.05 12.65 23.42 93.84 55.89 -66.54 -40.32 5.63 0.28 94.08 2.18 0.97 3.00 89.90 3.64 0.04 0.22 0.06 5 Q H H 53.96 11.04 11.39 23.52 92.81 53.76 -64.85 -39.83 3.09 0.22 96.69 1.04 0.45 1.76 92.76 3.74 0.02 0.20 0.03 6 K H H 143.82 1.67 14.96 16.81 92.57 52.08 -65.59 -38.83 3.76 0.19 96.05 0.95 0.45 2.39 91.26 4.72 0.02 0.17 0.03 7 R H H 147.18 3.17 13.75 18.05 92.58 52.40 -67.76 -32.88 9.98 0.15 89.88 1.05 0.88 7.98 85.61 4.27 0.05 0.10 0.05 8 L H H 70.26 9.43 11.52 22.15 95.83 43.89 -91.60 -1.84 43.74 0.24 56.03 1.60 2.86 38.74 52.94 3.52 0.08 0.10 0.17 9 G C T 58.87 1.35 17.17 17.89 95.84 -114.92 74.35 18.20 99.35 0.10 0.55 13.07 3.88 82.57 0.25 0.14 0.00 0.05 0.03 10 V C C 41.77 13.89 9.45 23.86 117.46 139.70 -98.46 132.21 97.60 1.73 0.66 90.71 6.18 0.76 0.40 0.20 0.00 0.76 1.00 11 D C C 84.96 3.84 18.81 23.14 108.84 -137.39 -90.83 110.80 97.02 1.87 1.11 95.37 1.25 0.73 0.69 0.20 0.00 0.75 1.02 12 L H H 46.32 16.28 12.49 28.64 96.07 -171.85 -73.84 -25.80 46.40 1.17 52.43 33.82 5.58 8.70 43.96 6.78 0.01 0.53 0.62 13 D H H 76.59 6.22 16.54 23.95 92.64 70.29 -64.74 -36.18 21.17 0.50 78.32 5.21 3.31 13.16 65.32 12.36 0.14 0.29 0.22 14 R H H 126.82 4.19 18.00 22.85 93.09 52.21 -67.64 -38.03 14.39 0.41 85.20 3.18 1.98 9.10 70.73 14.53 0.09 0.26 0.13 15 W H H 68.93 13.41 15.17 28.90 92.97 51.73 -67.07 -40.51 10.88 0.55 88.57 3.61 1.75 5.82 75.90 12.33 0.06 0.39 0.14 16 M H H 66.74 11.68 16.43 28.48 93.14 50.54 -67.81 -38.58 12.37 1.67 85.95 5.17 2.29 6.25 76.00 8.52 0.14 1.23 0.40 17 T H H 69.89 5.53 18.75 24.89 93.78 51.16 -69.40 -38.48 15.24 2.28 82.47 6.35 2.98 7.59 73.57 7.05 0.17 1.78 0.51 18 I H H 73.17 8.69 18.00 27.32 96.47 47.24 -73.93 -34.78 17.33 2.16 80.51 6.70 3.46 8.90 70.94 7.64 0.22 1.62 0.53 19 Q H H 55.70 14.25 15.87 29.98 97.20 58.61 -74.59 -25.94 25.77 2.46 71.77 9.15 5.09 13.56 61.59 7.88 0.30 1.61 0.81 20 S H H 50.93 10.19 16.74 27.41 101.36 56.94 -84.76 2.48 44.54 2.19 53.27 14.69 8.48 23.46 42.96 8.01 0.22 1.13 1.06 21 A C C 47.51 9.52 15.08 25.60 114.50 117.93 -87.17 144.48 65.57 3.64 30.79 28.65 16.37 21.82 21.89 7.73 0.11 1.67 1.77 22 E C C 111.33 6.56 14.75 22.47 114.06 -119.80 -84.96 134.98 75.32 9.01 15.66 43.83 18.47 12.97 9.94 5.45 0.08 3.79 5.46 23 Q C C 67.81 10.44 10.29 21.84 119.81 -145.21 -95.77 146.93 89.02 7.21 3.77 59.94 23.21 5.32 1.86 1.93 0.00 3.04 4.69 24 P C T 94.90 3.94 12.42 17.71 98.32 -103.82 -64.77 -17.51 89.14 1.31 9.54 17.86 15.63 55.42 1.79 7.90 0.00 0.71 0.67 25 H C T 135.99 3.21 11.86 16.27 99.73 40.43 -86.92 7.50 88.97 1.18 9.86 11.62 19.09 58.04 1.74 8.17 0.00 0.64 0.70 26 K C S 141.98 3.91 12.27 17.90 101.52 -104.35 58.32 32.26 86.59 4.73 8.67 30.28 38.49 17.92 1.66 6.65 0.01 2.00 3.01 27 I C C 87.49 6.30 12.21 20.29 119.13 130.08 -101.13 137.27 92.48 5.88 1.64 48.56 40.37 3.79 0.67 0.91 0.00 2.57 3.13 28 P C C 71.03 7.75 13.82 22.97 112.64 -103.12 -65.65 146.40 93.09 4.41 2.50 73.29 14.19 5.06 1.08 1.39 0.00 1.93 3.05 29 S C C 46.33 10.85 13.42 24.87 115.65 -124.78 -79.81 168.17 90.73 2.67 6.60 72.13 11.31 6.56 3.13 3.27 0.00 0.91 2.69 30 R C T 139.07 5.93 18.48 25.28 93.84 -103.46 -66.68 -24.00 91.51 0.39 8.10 2.16 6.95 83.05 3.59 3.70 0.01 0.19 0.35 31 C C T 17.34 18.80 13.23 32.13 97.08 49.35 -97.39 -1.84 91.63 0.11 8.26 3.59 3.96 84.87 4.80 2.63 0.00 0.05 0.10 32 H H H 68.40 12.18 16.06 29.02 92.63 97.13 -59.41 -41.93 3.00 0.01 96.99 1.25 0.41 1.12 96.42 0.78 0.00 0.00 0.00 33 A H H 59.82 3.34 22.38 25.29 91.42 51.93 -64.08 -39.74 0.60 0.00 99.40 0.09 0.03 0.35 99.14 0.39 0.00 0.00 0.00 34 F H H 42.56 14.37 19.37 34.00 92.11 49.94 -65.71 -41.28 0.26 0.00 99.74 0.04 0.01 0.15 99.46 0.34 0.00 0.00 0.00 35 E H H 24.85 19.61 18.11 37.20 91.77 51.92 -63.01 -42.16 0.11 0.00 99.89 0.01 0.00 0.06 99.84 0.08 0.00 0.00 0.00 36 K H H 98.35 6.83 23.17 30.31 91.68 51.20 -63.87 -40.99 0.11 0.00 99.89 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 37 E H H 81.64 7.68 23.46 31.36 91.64 50.35 -64.78 -41.15 0.17 0.00 99.83 0.01 0.00 0.14 99.80 0.05 0.00 0.00 0.00 38 W H H 21.29 20.72 19.75 40.05 92.00 50.24 -64.44 -42.67 0.22 0.00 99.78 0.01 0.01 0.18 99.68 0.12 0.00 0.00 0.00 39 I H H 37.48 15.38 21.63 36.67 91.81 50.51 -63.70 -42.20 0.45 0.00 99.55 0.03 0.02 0.35 99.31 0.29 0.00 0.00 0.00 40 E H H 99.76 4.08 25.74 29.75 91.72 50.64 -64.45 -40.79 2.22 0.00 97.78 0.11 0.09 1.94 96.79 1.06 0.00 0.00 0.00 41 C H H 19.45 13.80 20.30 34.96 91.97 50.58 -65.29 -40.43 5.88 0.02 94.10 0.46 0.39 4.90 91.02 3.20 0.02 0.01 0.01 42 A H H 13.39 18.05 17.95 36.04 92.02 52.62 -65.23 -37.40 9.71 0.18 90.11 1.90 1.28 6.68 81.80 8.11 0.07 0.08 0.09 43 H H H 99.88 7.67 20.90 28.91 92.95 53.01 -68.83 -32.34 16.35 0.34 83.32 2.49 1.90 11.90 72.29 10.91 0.16 0.19 0.17 44 G H H 36.40 7.34 18.81 26.79 94.28 56.60 -71.62 -29.23 26.56 0.45 72.99 3.28 3.21 19.68 63.05 10.09 0.20 0.23 0.25 45 I C T 63.61 12.93 14.86 27.85 100.91 47.96 -89.36 6.16 62.95 1.12 35.93 4.62 9.27 47.56 29.91 7.02 0.24 0.51 0.87 46 G C T 41.82 5.75 17.46 23.99 107.18 -60.24 88.90 -3.00 83.13 0.70 16.17 14.00 12.55 56.33 12.43 3.93 0.01 0.31 0.45 47 S C T 59.40 7.75 15.36 23.79 105.68 53.12 -81.04 -29.25 66.28 1.49 32.23 18.46 24.28 24.60 22.52 8.48 0.08 0.59 1.01 48 I C H 95.27 6.85 16.05 23.62 98.54 21.05 -76.34 -19.32 57.60 2.65 39.75 11.62 18.18 28.68 28.94 9.41 0.47 1.25 1.44 49 R C H 115.17 6.64 18.42 25.51 97.59 58.50 -74.98 -18.28 53.58 2.46 43.96 24.35 9.00 21.88 33.62 8.66 0.09 1.27 1.12 50 A H H 13.62 17.06 13.63 30.97 94.90 74.73 -65.11 -40.01 22.97 1.26 75.77 13.19 4.43 7.21 63.41 10.48 0.06 0.74 0.48 51 E H H 78.24 12.06 17.37 29.37 93.09 54.74 -65.28 -38.75 13.25 0.81 85.94 4.62 2.38 6.58 69.52 15.99 0.10 0.57 0.24 52 K H H 123.01 3.03 21.07 23.63 93.13 50.62 -68.27 -37.32 13.08 0.82 86.10 3.81 2.26 7.07 68.76 17.15 0.12 0.59 0.23 53 E H H 79.05 8.85 18.69 28.06 94.14 49.40 -72.69 -32.08 20.19 1.23 78.58 5.64 4.17 11.25 63.93 13.48 0.30 0.71 0.53 54 C C H 14.30 19.65 11.82 30.92 98.98 55.13 -82.02 -15.42 53.08 2.11 44.81 25.62 10.43 18.49 36.41 6.80 0.07 0.90 1.27 55 K C H 112.74 6.18 17.87 24.99 95.04 82.77 -65.32 -37.47 53.65 1.49 44.86 22.25 11.27 21.26 35.72 7.95 0.07 0.66 0.81 56 I H H 97.37 4.59 17.49 22.58 95.19 49.27 -71.24 -34.73 46.96 1.15 51.88 9.68 12.36 26.43 39.60 10.40 0.29 0.53 0.70 57 E H H 79.54 10.23 16.39 26.98 99.13 44.78 -82.66 -22.91 41.90 1.09 57.01 9.74 9.49 23.62 41.91 13.78 0.29 0.52 0.66 58 F H H 71.21 14.55 15.58 29.40 97.70 1.63 -67.73 -14.95 39.29 1.21 59.51 11.53 8.19 20.78 42.40 15.61 0.23 0.58 0.69 59 E H H 94.67 7.28 19.44 27.15 96.41 90.85 -69.43 -28.07 41.07 1.25 57.68 14.82 8.94 19.12 43.30 12.43 0.13 0.59 0.68 60 D H H 44.85 11.58 18.28 30.37 99.26 48.21 -80.12 -9.07 45.77 1.01 53.23 28.69 6.36 11.74 44.41 7.78 0.01 0.47 0.53 61 F H H 37.66 18.52 16.49 34.49 94.40 89.01 -64.56 -38.20 20.18 0.38 79.44 8.97 4.16 8.63 73.14 4.68 0.05 0.18 0.18 62 R H H 108.43 7.60 21.94 29.80 92.47 54.10 -64.63 -40.47 9.54 0.17 90.28 2.72 1.69 5.68 84.94 4.74 0.07 0.10 0.07 63 E H H 57.25 8.14 20.03 29.37 92.23 50.56 -64.77 -41.08 6.36 0.09 93.55 1.50 0.88 3.93 86.72 6.85 0.03 0.06 0.03 64 C H H 15.20 17.28 16.08 33.77 92.25 50.42 -66.47 -38.76 7.42 0.07 92.51 1.16 0.80 5.06 84.09 8.79 0.03 0.04 0.02 65 L H H 59.65 12.22 18.17 30.65 92.45 49.80 -71.43 -29.76 19.31 0.09 80.61 1.26 1.60 16.08 73.79 7.10 0.07 0.04 0.06 66 L H H 90.89 5.21 19.14 24.93 96.04 49.48 -89.57 -8.16 47.89 0.35 51.76 4.57 6.68 36.46 47.07 4.71 0.11 0.13 0.27 67 R C C 90.64 13.03 13.54 26.52 107.79 109.05 -72.77 112.01 68.98 1.23 29.79 40.22 21.47 5.93 29.82 1.40 0.01 0.30 0.84 68 Q H H 107.43 4.01 18.40 23.07 94.69 -142.74 -66.72 -37.36 2.81 0.01 97.17 0.88 0.44 1.33 96.76 0.58 0.00 0.00 0.00 69 K H H 79.53 7.77 17.61 26.41 92.98 52.26 -65.87 -40.06 1.22 0.01 98.78 0.27 0.12 0.71 98.18 0.72 0.00 0.00 0.00 70 T H H 29.73 13.43 16.06 30.26 92.64 50.75 -65.29 -41.07 0.66 0.00 99.34 0.15 0.05 0.37 98.73 0.70 0.00 0.00 0.00 71 M H H 74.35 7.48 18.47 26.91 91.89 50.95 -64.00 -41.48 0.44 0.00 99.56 0.08 0.03 0.25 99.46 0.18 0.00 0.00 0.00 72 K H H 113.13 2.93 20.97 23.49 91.59 50.45 -64.60 -41.55 0.37 0.00 99.63 0.06 0.02 0.20 99.66 0.05 0.00 0.00 0.00 73 R H H 85.75 9.74 18.43 28.66 91.73 50.18 -64.52 -41.25 0.22 0.00 99.78 0.03 0.01 0.14 99.79 0.04 0.00 0.00 0.00 74 L H H 44.64 12.09 17.25 30.20 91.86 50.49 -63.92 -41.69 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 75 H H H 99.13 3.28 21.00 23.95 91.69 50.25 -64.21 -41.56 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 76 A H H 40.31 4.65 19.46 25.01 91.42 50.27 -63.51 -42.20 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 77 I H H 38.86 11.98 17.09 30.18 92.01 49.28 -64.66 -42.28 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 78 R H H 101.85 7.78 18.77 27.24 91.54 50.48 -63.45 -41.26 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 79 R H H 131.49 2.06 20.91 21.81 91.65 49.84 -64.43 -42.08 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 80 Q H H 69.26 6.30 18.90 26.05 91.72 49.82 -64.70 -41.30 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 81 R H H 67.52 12.33 16.31 29.17 91.90 50.29 -64.25 -41.15 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 82 E H H 91.67 4.10 19.02 23.54 91.32 50.50 -63.72 -40.69 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 83 K H H 104.09 2.20 19.10 20.46 91.53 50.51 -64.19 -41.27 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 84 L H H 39.27 7.54 14.21 24.09 91.67 50.11 -64.45 -41.22 0.25 0.00 99.75 0.02 0.01 0.18 99.71 0.08 0.00 0.00 0.00 85 I H H 59.96 8.45 12.33 22.41 91.99 49.73 -64.11 -42.03 0.45 0.00 99.55 0.04 0.02 0.34 99.37 0.23 0.00 0.00 0.00 86 K H H 151.30 1.33 14.04 15.40 90.95 51.78 -64.87 -32.98 2.74 0.00 97.26 0.06 0.08 2.63 96.93 0.29 0.00 0.00 0.00 87 E C T 127.65 1.69 12.52 14.53 91.76 52.33 -84.34 -6.59 74.94 0.02 25.04 0.22 0.82 73.22 25.19 0.53 0.00 0.00 0.02 88 G C T 56.79 2.00 11.57 14.92 95.17 -112.80 79.55 11.75 99.47 0.01 0.51 0.64 1.75 97.29 0.25 0.07 0.00 0.00 0.01 89 K C S 134.41 2.39 13.14 16.66 95.70 122.78 -81.66 -19.48 99.33 0.33 0.34 21.75 71.59 6.00 0.09 0.25 0.00 0.13 0.19 90 Y C S 75.01 11.97 9.29 21.85 128.89 34.58 -131.36 146.63 97.70 1.89 0.41 30.63 61.99 4.82 0.11 0.29 0.00 0.58 1.58 91 T C C 93.79 2.60 16.95 20.29 120.05 -142.94 -110.36 138.26 98.87 1.07 0.05 79.42 19.21 0.27 0.02 0.04 0.00 0.41 0.63 92 P C C 73.53 9.15 12.02 22.35 116.29 -102.30 -65.17 149.06 99.67 0.29 0.04 89.58 9.91 0.19 0.01 0.02 0.00 0.10 0.19 93 P C C 56.35 8.50 11.06 21.31 115.64 -103.09 -64.62 152.22 98.47 0.23 1.30 89.91 6.28 2.17 0.30 1.07 0.00 0.09 0.17 94 P C C 112.23 1.95 13.71 16.27 95.88 -104.63 -65.11 -20.04 88.96 0.89 10.15 52.16 18.50 17.08 1.66 9.62 0.00 0.40 0.58 95 H C C 115.97 5.12 11.14 17.69 111.53 54.27 -99.42 96.63 81.36 4.37 14.27 49.97 15.00 15.51 2.82 12.16 0.00 2.04 2.49 96 H C C 94.82 9.22 9.19 19.22 108.41 -148.67 -88.03 106.11 80.57 6.10 13.32 52.38 13.51 14.02 3.29 10.40 0.01 3.08 3.31 97 S C C 79.34 3.40 11.75 16.44 102.75 48.24 -91.51 16.71 87.71 3.02 9.28 35.55 20.90 31.74 1.86 7.00 0.00 1.42 1.53 98 G C C 52.00 3.54 10.32 15.51 105.91 -104.43 80.58 13.64 91.78 1.70 6.52 31.86 29.07 30.70 0.99 5.72 0.00 0.78 0.87 99 Q C C 129.99 2.61 9.58 13.92 112.21 123.08 -90.67 128.98 92.59 2.93 4.48 56.21 27.34 8.69 1.02 3.59 0.00 1.28 1.85 100 E C C 139.93 2.35 9.62 13.79 115.14 -125.33 -87.76 138.93 94.84 2.83 2.32 65.58 23.42 5.54 0.62 1.79 0.00 1.29 1.78 101 E C C 133.41 3.02 9.50 14.50 115.32 -110.25 -83.91 136.99 98.20 1.37 0.43 76.30 20.93 1.02 0.15 0.25 0.00 0.63 0.72 102 P C C 90.69 5.07 7.79 14.78 112.10 -107.88 -67.14 144.40 97.46 1.07 1.47 84.33 6.58 6.52 0.38 1.03 0.00 0.53 0.62 103 R C C 176.59 1.83 8.54 12.01 111.10 -126.13 -87.98 129.14 98.21 0.91 0.88 92.33 1.46 4.69 0.22 0.40 0.00 0.39 0.49 104 S C C 87.64 2.29 10.18 14.03 110.03 -104.42 -80.32 132.85 99.91 0.07 0.02 99.66 0.21 0.08 0.00 0.00 0.00 0.03 0.01