# 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 55.09 10.30 17.42 28.31 108.35 -116.49 -70.87 137.24 99.73 0.12 0.15 99.37 0.24 0.20 0.09 0.01 0.00 0.04 0.04 1 F C C 78.85 12.29 13.56 25.95 99.95 -139.33 -78.37 -4.07 69.79 5.99 24.22 59.32 2.87 6.75 22.74 2.27 0.00 2.41 3.65 2 F H H 108.13 6.43 12.89 20.68 95.17 80.37 -67.31 -36.17 35.85 2.33 61.82 19.03 7.00 12.05 56.34 3.31 0.11 1.18 0.98 3 D H H 84.85 2.98 14.77 18.40 95.14 54.33 -70.31 -30.89 19.51 0.61 79.88 9.76 3.41 7.91 74.94 3.37 0.04 0.36 0.22 4 V H H 49.81 7.79 12.59 22.26 93.68 56.58 -66.70 -40.25 5.75 0.26 93.99 2.17 0.99 3.09 89.57 3.90 0.03 0.19 0.06 5 Q H H 53.83 10.71 11.07 22.97 92.75 53.67 -64.86 -39.49 3.21 0.18 96.60 1.05 0.46 1.84 92.35 4.09 0.02 0.16 0.03 6 K H H 141.85 1.81 14.42 16.65 92.69 52.42 -65.52 -38.66 3.87 0.15 95.98 0.94 0.45 2.47 90.77 5.19 0.02 0.13 0.03 7 R H H 152.34 2.65 13.50 17.16 92.39 52.94 -67.45 -32.27 10.50 0.14 89.36 1.08 0.90 8.43 84.69 4.71 0.05 0.09 0.05 8 L H H 75.76 8.34 11.38 21.10 95.70 45.48 -90.88 -0.62 46.66 0.22 53.12 1.48 2.76 41.86 49.72 3.85 0.07 0.09 0.16 9 G C T 58.59 1.37 16.68 17.49 96.04 -113.49 75.12 18.04 99.45 0.07 0.48 11.05 3.39 85.17 0.22 0.12 0.00 0.04 0.02 10 V C C 44.03 13.08 9.24 23.04 117.18 138.92 -98.53 131.09 97.73 1.65 0.62 91.95 5.16 0.66 0.37 0.18 0.00 0.70 0.97 11 D C C 84.02 3.86 18.14 22.58 109.05 -138.07 -90.45 111.39 97.28 1.66 1.06 95.77 1.15 0.70 0.65 0.19 0.00 0.65 0.90 12 L H H 52.52 14.97 12.38 27.45 95.75 -172.76 -72.86 -27.09 43.87 1.32 54.81 30.96 5.48 9.42 45.16 7.63 0.02 0.61 0.71 13 D H H 78.72 5.49 16.08 22.80 92.82 67.33 -64.90 -36.37 22.33 0.52 77.15 4.64 3.29 14.57 63.59 13.22 0.16 0.30 0.23 14 R H H 127.64 3.89 17.32 21.86 92.99 52.07 -67.69 -37.74 15.53 0.40 84.07 3.08 2.04 10.05 69.12 15.22 0.10 0.25 0.14 15 W H H 76.39 12.34 14.57 27.45 93.17 51.78 -66.75 -39.92 11.52 0.57 87.91 3.78 1.88 6.20 74.70 12.82 0.07 0.40 0.15 16 M H H 70.91 10.71 15.80 27.14 93.06 50.91 -67.54 -38.11 12.92 1.62 85.45 5.14 2.40 6.71 74.99 9.05 0.16 1.15 0.41 17 T H H 71.64 5.15 18.01 23.81 94.05 51.17 -70.54 -38.27 16.22 2.22 81.56 6.29 3.20 8.44 71.86 7.81 0.21 1.67 0.53 18 I H H 76.86 8.00 17.52 26.26 97.02 47.10 -75.87 -34.87 19.44 2.24 78.33 6.93 4.01 10.36 68.17 8.01 0.31 1.60 0.62 19 Q H H 60.58 13.26 15.51 28.83 97.93 58.47 -79.54 -21.01 29.14 2.96 67.89 9.84 6.13 15.65 57.45 7.59 0.43 1.83 1.08 20 S C H 51.65 9.77 16.24 26.61 102.11 58.26 -84.76 5.67 50.29 3.05 46.66 17.64 10.49 24.37 36.84 7.44 0.23 1.51 1.48 21 A C C 48.35 9.10 14.62 24.86 115.13 118.10 -88.73 145.73 71.58 5.06 23.36 33.99 19.58 19.04 15.72 6.80 0.09 2.39 2.39 22 E C C 114.75 5.86 14.64 21.78 115.72 -110.69 -88.05 135.87 72.43 18.02 9.55 45.31 18.93 6.97 6.08 3.37 0.09 6.29 12.96 23 Q C C 67.72 10.32 9.65 20.98 121.17 -140.91 -91.60 156.94 88.67 8.85 2.48 64.88 19.01 3.96 1.09 1.49 0.00 4.06 5.50 24 P C T 104.00 3.29 11.72 16.43 94.54 -102.20 -64.27 -21.78 89.69 1.13 9.18 9.80 12.72 66.17 1.15 8.92 0.00 0.67 0.57 25 H C T 146.27 1.94 11.41 14.25 98.93 46.88 -90.59 5.73 90.12 0.77 9.12 4.92 13.59 70.83 0.94 8.85 0.00 0.43 0.44 26 G C S 49.06 3.49 12.21 17.13 101.28 -94.77 82.92 4.53 88.94 3.87 7.20 22.80 50.52 15.14 0.89 6.47 0.00 1.72 2.46 27 I C C 89.98 5.57 12.19 19.57 119.36 121.60 -94.71 139.88 93.04 6.15 0.81 57.38 33.23 2.65 0.25 0.56 0.00 2.70 3.23 28 P C C 68.74 7.92 13.72 23.05 113.49 -104.21 -66.51 146.72 89.39 9.00 1.62 70.92 14.08 3.03 0.69 0.94 0.00 3.23 7.11 29 S C C 41.46 11.48 13.29 25.40 117.27 -121.06 -78.22 163.63 92.35 4.26 3.39 75.42 11.48 4.31 1.54 1.75 0.00 1.33 4.18 30 R C T 140.41 5.97 18.52 25.34 94.04 -104.46 -66.70 -24.60 95.00 0.45 4.56 1.93 7.91 85.65 1.77 2.17 0.00 0.22 0.35 31 C C T 18.59 18.34 13.17 31.69 97.05 49.92 -97.13 2.13 95.51 0.11 4.37 3.91 4.32 87.86 2.24 1.53 0.00 0.05 0.09 32 H H H 68.96 11.89 15.90 28.67 92.49 99.47 -58.98 -42.02 3.09 0.01 96.90 1.29 0.41 1.18 96.36 0.74 0.00 0.00 0.00 33 A H H 61.45 3.07 22.23 24.75 91.41 51.91 -63.95 -39.60 0.63 0.00 99.37 0.09 0.04 0.38 99.11 0.39 0.00 0.00 0.00 34 F H H 44.40 13.92 19.09 33.37 92.05 49.96 -65.71 -41.08 0.27 0.00 99.73 0.04 0.01 0.16 99.43 0.35 0.00 0.00 0.00 35 E H H 26.53 19.15 17.75 36.46 91.81 51.94 -63.07 -42.05 0.11 0.00 99.89 0.01 0.01 0.06 99.85 0.07 0.00 0.00 0.00 36 K H H 100.34 6.30 22.96 29.59 91.66 51.03 -63.74 -41.08 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.03 0.00 0.00 0.00 37 E H H 83.38 7.10 23.17 30.52 91.65 50.35 -64.71 -41.17 0.14 0.00 99.86 0.01 0.00 0.11 99.84 0.04 0.00 0.00 0.00 38 W H H 23.54 20.03 19.36 39.09 91.99 50.21 -64.42 -42.67 0.18 0.00 99.82 0.01 0.01 0.15 99.75 0.09 0.00 0.00 0.00 39 I H H 40.50 14.67 21.21 35.71 91.78 50.47 -63.63 -42.09 0.39 0.00 99.61 0.02 0.02 0.30 99.44 0.21 0.00 0.00 0.00 40 E H H 101.69 3.66 25.44 28.82 91.69 50.48 -64.34 -40.91 1.83 0.00 98.17 0.10 0.08 1.58 97.42 0.82 0.00 0.00 0.00 41 C H H 22.39 12.71 19.95 33.73 91.95 50.41 -65.11 -40.68 4.64 0.01 95.35 0.36 0.29 3.83 92.78 2.72 0.01 0.00 0.00 42 A H H 14.07 17.68 17.28 35.13 91.95 52.67 -65.40 -36.88 7.97 0.12 91.91 1.39 0.96 5.61 84.78 7.10 0.05 0.06 0.05 43 H H H 102.97 7.16 20.34 28.00 92.83 53.12 -68.24 -32.79 14.55 0.25 85.20 1.95 1.56 10.95 75.65 9.50 0.13 0.14 0.12 44 G H H 39.49 6.01 18.59 25.30 94.20 55.99 -71.93 -26.54 24.69 0.36 74.95 2.83 2.82 18.78 66.49 8.53 0.17 0.17 0.20 45 I C T 67.40 12.03 14.16 26.46 101.77 49.69 -90.23 3.98 60.22 1.22 38.55 4.98 9.62 44.56 32.98 6.11 0.29 0.54 0.92 46 G C T 42.21 5.34 16.81 22.99 108.90 -55.67 89.45 -8.33 80.61 0.81 18.58 15.53 12.79 52.01 14.76 4.04 0.01 0.35 0.50 47 S C T 63.87 6.61 14.98 22.46 103.80 33.71 -79.41 -30.42 64.93 1.30 33.77 15.35 23.81 26.81 23.86 8.65 0.10 0.52 0.91 48 I C T 98.60 6.11 15.61 22.53 98.40 21.31 -77.96 -20.62 57.49 2.23 40.29 10.21 17.95 30.03 29.70 9.37 0.44 1.04 1.27 49 R C H 116.84 6.07 18.14 24.68 97.26 56.90 -72.77 -20.96 52.73 2.23 45.05 23.87 8.50 21.95 34.91 8.53 0.08 1.14 1.03 50 A H H 13.75 16.32 13.40 30.30 93.97 71.40 -64.32 -40.66 20.49 0.98 78.53 11.45 3.88 6.89 67.05 9.71 0.06 0.58 0.38 51 E H H 79.19 11.47 17.26 28.89 92.99 53.62 -64.57 -39.32 11.71 0.63 87.66 3.97 2.04 6.05 73.37 13.86 0.08 0.45 0.18 52 K H H 121.42 2.60 21.25 23.11 93.00 50.12 -67.85 -38.06 11.19 0.63 88.19 3.27 1.89 6.20 72.98 14.93 0.10 0.46 0.17 53 E H H 77.22 8.28 18.64 27.63 93.21 49.78 -70.67 -34.30 17.47 0.96 81.57 4.77 3.51 10.12 68.83 11.55 0.25 0.57 0.41 54 C H H 13.15 19.18 11.82 30.79 96.48 54.00 -79.61 -20.34 46.89 1.69 51.42 20.67 8.33 19.56 42.48 7.11 0.09 0.76 1.00 55 K H H 113.88 6.06 17.36 24.53 93.54 73.78 -63.99 -38.62 48.36 1.20 50.44 15.49 9.20 24.75 40.99 8.24 0.11 0.55 0.67 56 I H H 102.23 3.57 17.64 21.47 94.43 48.05 -71.06 -35.53 45.38 0.93 53.68 7.57 10.51 28.52 42.54 9.52 0.31 0.43 0.59 57 E H H 81.57 9.63 16.15 26.31 98.63 41.82 -86.19 -19.90 43.24 1.04 55.72 8.95 10.58 24.85 42.32 11.85 0.32 0.48 0.66 58 F H H 78.33 13.58 15.94 28.97 97.61 -12.75 -61.97 -9.94 40.96 1.07 57.98 11.11 8.10 22.73 42.51 14.19 0.22 0.51 0.62 59 E H H 88.13 7.98 18.99 27.50 96.77 93.58 -69.81 -24.70 40.67 1.10 58.23 13.66 8.36 20.00 44.06 12.66 0.12 0.52 0.61 60 D H H 43.78 11.69 18.21 30.42 99.28 42.33 -82.93 -11.62 42.95 0.88 56.17 25.28 6.37 12.52 46.40 8.52 0.02 0.41 0.48 61 F H H 44.78 16.95 16.87 33.57 94.39 67.07 -64.33 -38.02 18.57 0.34 81.09 8.12 3.87 8.06 73.85 5.72 0.06 0.16 0.16 62 R H H 109.60 7.54 21.77 29.65 92.32 53.91 -64.61 -40.60 8.92 0.16 90.92 2.34 1.52 5.43 84.26 6.24 0.06 0.09 0.06 63 E H H 57.13 8.78 19.70 29.65 92.12 50.64 -65.25 -40.73 6.85 0.10 93.05 1.46 0.90 4.36 84.93 8.23 0.03 0.07 0.03 64 C H H 20.36 15.81 16.63 32.94 92.42 50.38 -67.05 -38.24 10.16 0.10 89.74 1.61 1.17 7.00 80.87 9.21 0.04 0.06 0.04 65 L H H 62.06 10.90 18.59 29.91 93.44 50.01 -72.91 -27.15 25.81 0.24 73.94 2.77 3.13 19.89 66.93 6.89 0.13 0.11 0.15 66 L C H 77.00 6.98 18.26 26.07 96.26 54.29 -80.44 -15.98 50.86 0.91 48.23 12.68 10.67 28.74 43.04 3.85 0.09 0.32 0.61 67 R H H 107.90 10.43 16.00 26.70 96.67 -144.17 -62.58 -21.07 23.08 0.26 76.66 11.50 5.04 6.58 75.48 1.18 0.01 0.09 0.13 68 Q H H 97.30 4.79 18.92 24.19 95.20 95.89 -67.13 -39.02 3.56 0.02 96.42 1.32 0.51 1.61 95.98 0.56 0.00 0.01 0.01 69 K H H 76.71 7.86 17.42 26.32 93.29 52.36 -65.88 -41.04 1.30 0.01 98.69 0.39 0.14 0.67 98.28 0.51 0.00 0.00 0.00 70 T H H 43.68 10.29 16.96 28.28 92.70 50.86 -64.90 -41.32 0.82 0.01 99.17 0.23 0.07 0.42 98.90 0.38 0.00 0.00 0.00 71 M H H 80.61 5.95 18.46 25.26 91.96 50.35 -64.36 -41.55 0.55 0.00 99.45 0.11 0.04 0.31 99.41 0.14 0.00 0.00 0.00 72 K H H 110.19 3.38 20.01 23.33 91.71 50.07 -64.56 -41.61 0.36 0.00 99.64 0.07 0.02 0.19 99.67 0.05 0.00 0.00 0.00 73 R H H 91.97 8.78 17.94 27.33 91.79 50.38 -64.20 -41.26 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.05 0.00 0.00 0.00 74 L H H 55.59 9.21 17.46 27.86 91.96 50.33 -63.94 -41.60 0.14 0.00 99.86 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 75 H H H 99.04 3.03 20.34 23.01 91.71 50.12 -64.34 -41.42 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 76 A H H 38.74 4.94 18.65 24.77 91.46 50.53 -63.55 -41.98 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 77 I H H 47.28 10.34 16.99 28.54 92.02 49.25 -64.67 -42.16 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 78 R H H 108.20 6.14 18.66 25.55 91.60 50.56 -63.62 -41.28 0.14 0.00 99.86 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 79 R H H 130.95 2.11 20.42 21.49 91.71 49.87 -64.50 -41.96 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 80 Q H H 70.06 6.12 18.39 25.39 91.70 49.87 -64.74 -41.19 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 81 R H H 75.02 11.00 16.34 28.08 91.93 50.46 -64.22 -41.04 0.11 0.00 99.89 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 82 E H H 93.64 3.69 18.82 22.74 91.49 50.50 -63.74 -40.55 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 83 K H H 103.53 2.26 18.63 20.21 91.60 50.52 -64.26 -41.17 0.17 0.00 99.83 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 84 L H H 43.01 7.05 14.00 23.33 91.65 50.28 -64.42 -41.10 0.34 0.00 99.66 0.03 0.02 0.24 99.62 0.10 0.00 0.00 0.00 85 I H H 63.53 7.60 12.28 21.60 92.04 49.94 -64.38 -41.73 0.56 0.00 99.44 0.05 0.03 0.42 99.22 0.29 0.00 0.00 0.00 86 K H H 152.06 1.26 13.82 15.04 91.05 51.79 -65.13 -32.72 3.07 0.00 96.92 0.08 0.10 2.90 96.56 0.35 0.00 0.00 0.00 87 E C T 127.50 1.71 12.30 14.37 91.76 52.30 -84.53 -6.36 74.57 0.02 25.40 0.23 0.87 72.88 25.41 0.59 0.00 0.00 0.02 88 G C T 57.42 1.83 11.55 14.62 95.35 -112.90 79.48 11.91 99.51 0.01 0.48 0.63 1.83 97.24 0.23 0.06 0.00 0.00 0.00 89 K C S 134.72 2.33 13.00 16.44 95.66 121.72 -81.25 -19.76 99.43 0.32 0.24 20.20 75.07 4.20 0.06 0.17 0.00 0.13 0.17 90 Y C S 75.32 11.62 9.33 21.69 129.94 32.91 -132.33 148.11 97.46 2.20 0.34 30.25 63.55 3.43 0.10 0.22 0.00 0.66 1.79 91 T C C 94.38 2.49 17.19 20.32 120.21 -144.80 -108.87 139.77 98.81 1.14 0.04 81.78 16.89 0.21 0.01 0.03 0.00 0.46 0.62 92 P C C 72.24 9.65 11.98 22.72 116.28 -103.58 -65.05 148.85 99.67 0.29 0.03 91.99 7.56 0.14 0.01 0.02 0.00 0.10 0.18 93 P C C 53.06 8.86 11.06 21.70 116.06 -104.10 -64.73 152.23 98.66 0.21 1.13 91.79 5.18 1.66 0.28 0.84 0.00 0.08 0.16 94 P C C 111.26 1.95 13.98 16.49 95.79 -105.04 -64.96 -19.98 86.39 0.89 12.72 50.58 16.93 17.50 2.14 11.86 0.00 0.39 0.59 95 H C C 113.50 5.45 11.09 17.95 110.25 55.26 -95.96 95.26 78.08 4.21 17.71 45.98 14.71 16.67 3.48 14.83 0.00 1.98 2.35 96 H C C 96.49 8.91 9.31 19.09 106.82 -141.83 -89.25 78.51 77.13 5.79 17.08 47.64 13.72 15.26 3.93 13.45 0.01 2.89 3.10 97 S C T 80.62 3.13 11.63 16.03 101.86 49.63 -90.01 13.24 86.39 2.66 10.95 29.91 20.67 36.36 2.25 8.12 0.01 1.24 1.44 98 G C T 53.12 3.25 10.47 15.29 103.84 -97.73 81.06 9.61 91.53 1.56 6.91 28.63 28.33 34.45 1.07 5.98 0.00 0.72 0.82 99 Q C C 127.16 2.84 9.38 14.04 112.11 129.71 -89.90 129.00 92.79 2.95 4.26 59.18 25.35 7.83 1.04 3.35 0.00 1.26 1.99 100 E C C 139.09 2.36 9.71 13.86 115.42 -126.74 -88.20 139.85 95.09 2.74 2.17 66.61 22.87 5.28 0.59 1.63 0.00 1.21 1.80 101 E C C 133.62 2.99 9.59 14.52 115.48 -109.61 -82.70 137.30 98.36 1.22 0.42 76.25 21.11 1.03 0.15 0.24 0.00 0.55 0.67 102 P C C 90.52 5.12 7.78 14.79 112.12 -107.87 -67.26 144.52 97.57 0.96 1.47 83.59 6.91 7.03 0.37 1.05 0.00 0.48 0.56 103 R C C 176.08 1.84 8.47 11.94 111.24 -125.13 -87.45 130.05 98.21 0.88 0.91 91.98 1.50 5.00 0.23 0.42 0.00 0.37 0.49 104 S C C 89.23 2.05 10.26 13.75 109.66 -106.23 -79.94 131.45 99.91 0.07 0.02 99.68 0.20 0.07 0.00 0.00 0.00 0.03 0.01