# 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 45.00 12.58 15.64 28.08 109.14 -135.67 -77.61 127.39 99.66 0.03 0.30 99.47 0.11 0.14 0.24 0.01 0.00 0.01 0.01 1 N C C 77.88 9.27 13.33 23.25 104.17 70.56 -78.48 -2.36 58.41 0.30 41.29 50.70 1.18 5.14 41.69 1.04 0.00 0.10 0.16 2 N H H 106.04 2.70 15.94 19.02 95.66 90.85 -68.37 -33.20 26.09 0.21 73.70 15.18 3.82 6.64 72.83 1.36 0.00 0.07 0.10 3 H H H 67.99 11.50 15.92 27.91 93.97 55.16 -66.57 -38.84 12.17 0.13 87.70 6.22 1.86 4.16 86.31 1.33 0.00 0.06 0.06 4 I H H 27.59 18.36 14.86 32.83 92.43 51.90 -64.57 -41.48 2.99 0.02 96.99 1.46 0.40 1.05 96.40 0.66 0.00 0.01 0.01 5 R H H 121.99 5.07 20.16 25.88 91.87 51.73 -64.28 -40.05 1.14 0.01 98.85 0.46 0.12 0.47 98.59 0.35 0.00 0.00 0.00 6 T H H 59.23 5.11 21.28 26.75 91.85 50.36 -64.54 -41.86 0.94 0.00 99.06 0.27 0.09 0.48 98.87 0.29 0.00 0.00 0.00 7 V H H 12.51 20.02 18.01 37.93 92.12 49.57 -64.64 -43.05 0.90 0.00 99.09 0.19 0.07 0.51 99.01 0.22 0.00 0.00 0.00 8 L H H 33.30 16.18 18.78 34.86 91.66 50.88 -63.07 -41.54 0.75 0.00 99.24 0.19 0.06 0.40 99.05 0.30 0.00 0.00 0.00 9 K H H 114.70 2.70 23.12 24.99 91.68 51.11 -64.50 -40.21 1.39 0.00 98.61 0.17 0.08 1.01 97.59 1.15 0.00 0.00 0.00 10 L H H 41.16 11.04 18.99 31.13 92.06 50.43 -65.07 -41.62 2.04 0.00 97.95 0.17 0.11 1.60 96.16 1.95 0.00 0.00 0.00 11 F H H 14.06 23.18 14.58 37.41 91.98 49.90 -67.02 -35.74 4.96 0.02 95.03 0.48 0.35 3.89 91.80 3.48 0.01 0.01 0.01 12 R H H 123.63 8.93 18.11 27.66 91.77 58.48 -68.20 -25.77 33.27 0.05 66.69 1.19 1.28 30.43 63.92 3.10 0.02 0.02 0.03 13 T C T 95.54 2.50 19.75 22.01 94.75 54.33 -88.12 -7.81 60.76 0.10 39.14 3.23 3.21 52.61 37.80 3.04 0.01 0.04 0.08 14 I C C 29.16 19.95 9.92 29.12 114.59 104.62 -81.33 130.61 90.65 0.94 8.41 44.82 39.21 6.24 7.30 1.42 0.00 0.30 0.69 15 D C C 101.24 3.16 21.66 25.01 108.62 -145.84 -94.81 108.89 96.15 0.80 3.05 91.86 2.02 2.79 1.83 0.70 0.00 0.39 0.41 16 L C C 33.21 20.59 11.94 31.27 103.76 -169.74 -83.52 21.12 87.54 1.73 10.73 72.79 5.48 9.77 5.45 4.65 0.00 0.89 0.98 17 D C C 69.04 8.82 15.22 24.99 104.82 92.00 -79.49 76.15 86.66 1.74 11.60 64.02 9.10 13.58 5.74 5.69 0.00 0.88 1.00 18 D C C 105.01 3.59 14.86 19.57 98.20 78.69 -84.20 -0.38 78.22 2.05 19.73 37.88 20.20 20.70 8.50 10.56 0.01 0.91 1.23 19 S C C 55.96 8.07 10.83 20.08 106.77 83.56 -85.70 64.56 80.06 1.95 17.99 37.23 21.30 22.10 8.74 8.61 0.01 0.81 1.18 20 K C C 136.07 4.85 11.97 18.11 102.59 106.53 -83.84 4.34 81.86 1.53 16.61 36.60 30.93 14.94 9.71 6.21 0.01 0.59 1.00 21 K C C 105.78 5.16 12.04 18.86 113.28 100.63 -87.99 129.18 85.02 1.09 13.90 57.86 21.88 4.83 12.07 2.33 0.00 0.40 0.63 22 S H H 75.78 3.71 12.59 17.88 94.32 -140.21 -62.75 -33.32 27.69 0.40 71.91 13.51 6.03 9.07 67.98 3.02 0.02 0.19 0.18 23 F H H 135.36 2.23 15.19 17.55 93.12 55.09 -66.37 -38.59 14.88 0.30 84.82 4.93 2.64 7.95 81.21 2.94 0.04 0.17 0.12 24 Y H H 71.66 11.12 14.34 26.30 93.47 48.74 -69.07 -38.76 8.43 0.32 91.26 3.97 1.35 3.79 87.62 2.96 0.02 0.21 0.09 25 L H H 43.19 13.82 14.69 28.93 92.46 52.89 -63.80 -41.59 3.19 0.09 96.72 1.58 0.47 1.30 95.54 1.03 0.00 0.05 0.02 26 T H H 72.63 3.29 21.13 23.94 92.21 50.29 -65.08 -40.90 2.61 0.07 97.33 1.17 0.36 1.18 96.66 0.58 0.00 0.04 0.02 27 A H H 47.35 5.38 21.15 27.05 92.12 50.09 -65.28 -41.15 1.36 0.02 98.62 0.48 0.16 0.68 98.35 0.32 0.00 0.01 0.00 28 A H H 11.39 18.68 16.76 35.73 92.10 50.60 -64.76 -42.09 1.00 0.01 98.99 0.29 0.10 0.52 98.85 0.22 0.00 0.00 0.00 29 K H H 80.91 12.84 20.93 33.25 91.65 51.65 -62.55 -41.74 1.16 0.01 98.83 0.29 0.11 0.66 98.70 0.23 0.00 0.00 0.00 30 Y H H 127.95 2.99 24.33 26.54 91.89 49.42 -64.81 -41.55 1.37 0.01 98.62 0.33 0.14 0.80 98.51 0.21 0.00 0.00 0.00 31 G H H 16.43 10.23 20.41 31.85 92.12 50.67 -64.60 -41.81 2.03 0.01 97.96 0.51 0.21 1.17 97.81 0.29 0.00 0.00 0.00 32 I H H 15.18 20.86 18.07 38.69 92.25 49.49 -64.62 -42.23 1.62 0.01 98.37 0.45 0.19 0.87 98.07 0.40 0.00 0.01 0.00 33 Q H H 72.30 11.46 20.57 31.94 91.72 50.99 -63.76 -40.31 2.13 0.02 97.85 0.58 0.25 1.19 97.26 0.69 0.01 0.01 0.01 34 T H H 73.59 3.88 22.95 26.44 92.61 48.79 -67.70 -39.08 4.86 0.04 95.10 0.95 0.53 3.29 93.82 1.35 0.02 0.02 0.02 35 Q H H 55.44 13.52 19.53 32.81 93.80 47.14 -71.97 -34.84 11.82 0.06 88.11 1.51 1.17 9.03 86.28 1.92 0.03 0.02 0.04 36 L H H 19.83 21.42 16.26 36.87 95.77 48.05 -79.29 -22.10 38.64 0.26 61.10 7.60 4.70 26.64 57.99 2.75 0.04 0.10 0.18 37 R H H 112.71 10.61 20.22 30.51 95.22 60.02 -74.67 -28.10 47.36 0.41 52.22 12.46 7.90 27.31 48.87 2.99 0.03 0.15 0.28 38 E H H 88.56 7.68 20.88 28.77 108.39 61.69 -77.48 5.33 40.75 0.25 58.99 15.33 14.01 10.13 58.49 1.82 0.01 0.08 0.14 39 P H H 38.76 11.76 20.54 32.79 97.88 5.08 -65.65 -38.38 21.75 0.15 78.10 8.56 3.06 9.64 76.53 2.06 0.01 0.06 0.07 40 I H H 13.06 23.43 18.85 41.13 93.89 46.21 -66.06 -41.08 7.61 0.09 92.30 2.51 1.16 4.16 90.11 1.96 0.02 0.05 0.04 41 I H H 41.35 16.61 20.48 36.29 92.42 51.85 -65.18 -40.56 2.92 0.07 97.00 1.01 0.44 1.53 95.46 1.49 0.01 0.04 0.02 42 R H H 131.65 4.20 24.54 29.05 92.17 50.42 -65.09 -41.02 2.43 0.08 97.50 0.67 0.33 1.46 95.55 1.91 0.02 0.05 0.01 43 I H H 34.03 16.26 21.15 36.88 92.59 48.05 -66.23 -41.86 2.83 0.07 97.10 0.55 0.31 1.93 94.70 2.42 0.02 0.05 0.01 44 V H H 8.44 23.90 17.63 41.05 91.76 49.58 -65.65 -38.74 4.21 0.03 95.76 0.41 0.34 3.33 92.22 3.66 0.01 0.02 0.01 45 G H H 35.75 10.17 20.81 31.29 91.17 60.07 -67.37 -23.18 29.59 0.03 70.38 0.67 0.90 28.68 65.42 4.26 0.02 0.01 0.03 46 G C T 43.39 5.96 21.30 27.98 94.38 57.00 -87.97 -6.09 68.10 0.08 31.83 2.39 2.62 62.75 27.92 4.21 0.00 0.03 0.07 47 Y C S 29.98 22.12 10.19 31.39 119.07 102.82 -80.33 144.69 95.72 1.03 3.25 32.06 60.64 2.71 2.45 0.62 0.00 0.21 1.32 48 L C C 77.90 5.42 18.64 24.79 113.99 -102.28 -67.27 146.77 99.51 0.18 0.31 97.27 1.78 0.53 0.10 0.12 0.00 0.06 0.14 49 P C T 99.05 6.78 12.78 21.41 92.80 -112.70 -60.49 -26.04 98.19 0.12 1.68 2.43 5.65 90.22 0.24 1.33 0.00 0.07 0.08 50 S C T 92.89 1.15 17.23 17.44 94.56 56.32 -87.66 -1.52 98.19 0.14 1.67 3.06 4.77 90.35 0.16 1.51 0.00 0.08 0.05 51 T C C 34.09 15.19 10.37 26.02 115.97 119.14 -74.80 138.64 96.63 1.94 1.43 79.13 15.52 1.86 0.21 1.47 0.00 1.13 0.67 52 K C C 145.62 2.65 20.75 24.09 116.23 -146.80 -103.07 128.81 76.25 23.22 0.53 71.97 3.58 0.71 0.21 0.33 0.00 13.72 9.49 53 L C C 18.82 23.05 9.77 31.74 120.47 -155.86 -101.56 141.61 83.58 16.30 0.12 79.87 4.39 0.12 0.06 0.05 0.00 12.53 2.98 54 S C C 47.55 5.10 19.53 25.31 116.33 -105.79 -69.41 152.05 94.40 5.39 0.21 94.87 0.65 0.08 0.13 0.04 0.00 3.50 0.74 55 E H H 123.57 6.27 14.73 22.81 91.86 -112.91 -58.97 -37.22 2.16 0.01 97.84 0.47 0.38 1.13 97.56 0.46 0.00 0.00 0.00 56 A H H 67.98 1.90 19.71 20.45 91.92 54.35 -64.01 -40.02 1.01 0.00 98.98 0.13 0.09 0.69 98.63 0.46 0.00 0.00 0.00 57 C H H 19.78 13.74 16.19 31.09 92.00 49.76 -65.58 -41.19 0.53 0.00 99.47 0.11 0.05 0.32 98.91 0.61 0.00 0.00 0.00 58 V H H 14.54 20.42 15.20 35.37 91.78 50.58 -63.43 -42.55 0.22 0.00 99.78 0.04 0.01 0.12 99.68 0.14 0.00 0.00 0.00 59 K H H 117.41 3.95 22.08 26.48 91.29 51.01 -63.28 -40.81 0.32 0.00 99.68 0.04 0.02 0.20 99.67 0.08 0.00 0.00 0.00 60 N H H 83.84 3.81 23.37 26.79 91.93 49.22 -65.51 -40.59 0.67 0.00 99.33 0.06 0.03 0.49 99.32 0.10 0.00 0.00 0.00 61 M H H 13.22 20.30 18.29 38.51 92.04 49.59 -64.54 -42.59 1.02 0.00 98.98 0.12 0.06 0.73 98.92 0.17 0.00 0.00 0.00 62 I H H 27.69 17.03 19.79 36.60 91.82 50.49 -63.25 -42.57 0.87 0.00 99.12 0.20 0.08 0.48 99.11 0.12 0.00 0.00 0.00 63 S H H 58.07 2.51 24.37 25.44 91.46 50.57 -63.40 -41.56 0.73 0.00 99.27 0.16 0.05 0.40 99.26 0.12 0.00 0.00 0.00 64 E H H 69.62 8.48 21.91 30.92 91.98 49.16 -65.28 -40.95 0.78 0.00 99.22 0.11 0.05 0.49 99.10 0.24 0.00 0.00 0.00 65 V H H 5.70 23.33 14.98 38.43 91.52 50.57 -64.09 -42.40 0.85 0.00 99.15 0.11 0.06 0.55 98.86 0.42 0.00 0.00 0.00 66 Y H H 114.34 8.31 20.19 28.97 91.95 51.18 -64.07 -39.40 2.34 0.01 97.65 0.26 0.15 1.74 96.44 1.40 0.00 0.00 0.00 67 E H H 122.24 2.07 21.90 22.80 92.36 51.08 -66.95 -36.95 8.95 0.01 91.03 0.48 0.46 7.80 89.53 1.71 0.01 0.00 0.00 68 I H H 37.52 14.47 16.39 31.17 97.28 45.79 -83.30 -30.44 20.19 0.08 79.73 2.28 2.12 15.37 78.01 2.10 0.04 0.03 0.05 69 E H H 66.03 16.59 14.97 30.38 94.46 71.35 -64.06 -37.68 31.97 0.34 67.69 6.69 3.78 21.04 56.41 11.64 0.07 0.16 0.22 70 G H H 47.97 4.29 19.61 24.39 95.31 51.15 -66.98 -20.26 48.57 0.19 51.23 4.49 4.18 38.33 39.02 13.71 0.04 0.09 0.14 71 D C H 80.13 6.37 19.36 26.13 100.57 56.12 -95.46 -7.54 53.06 0.73 46.22 13.35 8.26 31.26 32.33 13.91 0.07 0.34 0.47 72 F H H 30.65 19.69 14.76 33.59 105.47 93.15 -76.52 -0.28 46.01 6.96 47.03 22.24 13.66 12.69 36.53 7.48 0.48 2.46 4.46 73 Y H H 81.90 14.50 19.65 33.12 97.58 53.27 -73.83 -30.44 37.56 3.81 58.63 14.69 7.76 15.79 41.86 15.77 0.44 2.25 1.44 74 S H H 41.37 11.87 18.89 30.82 99.14 56.77 -76.29 -17.73 38.36 2.35 59.29 10.03 7.49 19.89 39.93 19.98 0.34 1.52 0.82 75 K H H 102.25 9.46 21.72 30.93 102.45 55.30 -87.93 -0.56 38.85 3.44 57.72 13.47 8.18 17.32 37.58 19.77 0.29 2.25 1.13 76 F C H 42.05 18.85 16.18 34.12 109.14 69.24 -94.23 87.67 48.73 5.84 45.43 25.38 11.50 13.73 31.78 11.80 0.21 3.45 2.15 77 S C C 31.27 13.25 17.83 31.37 118.74 65.95 -105.15 159.76 55.10 6.21 38.69 30.99 11.57 13.69 26.33 11.18 0.12 3.55 2.56 78 Y C T 123.49 8.36 18.32 27.07 97.15 -107.21 -69.02 -26.37 51.89 2.97 45.13 9.32 10.98 31.10 23.33 21.53 0.45 1.82 1.48 79 A C T 57.33 7.07 17.83 25.67 96.28 52.58 -76.95 -4.04 55.56 1.99 42.45 11.45 10.00 33.54 19.65 23.05 0.12 1.17 1.03 80 C C C 21.34 17.75 9.95 27.07 100.09 83.52 -86.54 10.79 59.74 3.38 36.88 35.18 9.82 15.16 13.50 22.74 0.02 1.58 2.01 81 E C T 125.75 4.64 14.30 20.53 99.05 102.25 -70.05 -23.66 82.79 1.24 15.97 9.88 11.67 60.79 7.82 8.23 0.02 0.62 0.95 82 D C T 127.62 0.93 16.32 15.98 98.04 26.15 -83.38 11.70 87.50 0.48 12.02 8.80 16.18 62.89 3.99 7.50 0.01 0.24 0.40 83 H C C 74.75 12.30 9.58 22.10 117.38 109.23 -100.72 131.06 93.74 2.35 3.91 60.52 28.79 4.11 2.02 1.65 0.00 0.68 2.23 84 A C C 72.21 4.11 16.63 21.60 111.81 -128.06 -75.49 138.81 78.01 1.04 20.94 37.26 18.83 22.29 9.31 11.13 0.00 0.44 0.73 85 P C T 75.44 8.05 16.44 25.11 105.59 7.36 -74.30 121.10 72.30 1.36 26.35 25.35 17.59 30.49 12.76 12.35 0.02 0.58 0.88 86 Y C C 62.89 15.78 14.45 29.87 113.98 64.46 -98.65 125.74 65.03 4.20 30.77 39.63 11.78 13.74 18.97 11.45 0.04 1.93 2.45 87 S C C 34.65 10.11 18.63 29.43 112.17 -140.38 -82.49 159.62 59.29 2.08 38.63 44.62 10.92 3.70 36.67 2.29 0.00 0.74 1.06 88 V H H 62.97 11.81 16.60 28.72 93.82 -99.69 -63.66 -38.19 3.26 0.03 96.72 1.04 0.67 1.53 95.72 1.02 0.00 0.01 0.01 89 E H H 118.93 2.02 22.03 22.79 92.16 52.46 -64.57 -40.30 1.60 0.01 98.39 0.41 0.21 0.92 97.29 1.15 0.00 0.01 0.00 90 C H H 21.06 12.68 17.00 31.06 92.39 49.97 -65.40 -41.56 1.22 0.01 98.77 0.31 0.15 0.70 97.50 1.32 0.00 0.01 0.00 91 L H H 13.94 21.43 14.23 35.32 92.04 50.84 -64.28 -41.61 1.19 0.01 98.80 0.26 0.13 0.71 97.95 0.94 0.00 0.00 0.00 92 E H H 105.47 5.00 20.64 26.20 91.53 51.66 -64.30 -39.12 2.78 0.01 97.21 0.29 0.20 2.13 95.59 1.78 0.01 0.00 0.00 93 D H H 97.84 2.15 21.89 23.05 91.87 51.66 -69.25 -29.34 13.66 0.01 86.33 0.35 0.54 13.13 84.07 1.89 0.01 0.00 0.01 94 A H H 12.81 17.79 13.75 32.01 96.74 46.96 -93.02 -8.78 43.80 0.05 56.15 2.90 2.03 37.85 54.46 2.68 0.01 0.02 0.05 95 R H H 82.13 16.90 15.55 31.57 92.35 94.23 -57.73 -44.49 1.92 0.00 98.08 0.55 0.20 0.89 97.63 0.73 0.00 0.00 0.00 96 D H H 101.50 1.92 21.50 22.43 92.02 49.57 -64.33 -39.52 1.04 0.00 98.96 0.20 0.08 0.64 98.19 0.89 0.00 0.00 0.00 97 D H H 75.37 4.39 21.77 26.16 92.06 48.61 -66.16 -40.50 0.37 0.00 99.63 0.07 0.03 0.21 99.01 0.68 0.00 0.00 0.00 98 Y H H 15.07 20.88 16.18 37.04 91.77 49.49 -64.06 -43.67 0.22 0.00 99.78 0.04 0.01 0.12 99.69 0.14 0.00 0.00 0.00 99 L H H 41.90 14.26 19.78 34.10 91.51 49.93 -63.78 -41.24 0.31 0.00 99.69 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 100 T H H 79.26 2.08 24.56 24.79 91.86 50.03 -64.48 -42.01 0.29 0.00 99.71 0.03 0.01 0.18 99.73 0.04 0.00 0.00 0.00 101 Q H H 54.47 10.32 21.35 32.25 92.10 49.23 -65.48 -40.80 0.34 0.00 99.66 0.04 0.01 0.21 99.70 0.04 0.00 0.00 0.00 102 L H H 6.34 23.97 17.11 41.03 91.68 50.49 -64.20 -42.00 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 103 V H H 60.85 8.39 22.50 31.32 91.39 51.06 -63.00 -41.78 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.01 0.00 0.00 0.00 104 E H H 103.09 2.50 25.03 26.18 91.57 49.80 -63.93 -41.98 0.12 0.00 99.88 0.01 0.01 0.07 99.90 0.02 0.00 0.00 0.00 105 L H H 13.70 18.10 19.68 38.10 91.59 49.65 -64.02 -43.17 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 106 F H H 33.21 18.44 19.54 37.39 91.31 50.27 -63.05 -42.34 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 107 K H H 117.21 2.35 24.41 25.57 91.69 49.94 -63.79 -41.95 0.23 0.00 99.77 0.03 0.01 0.14 99.78 0.04 0.00 0.00 0.00 108 E H H 78.02 5.92 22.13 28.50 91.79 48.94 -65.08 -41.41 0.38 0.00 99.62 0.04 0.02 0.24 99.62 0.07 0.00 0.00 0.00 109 T H H 6.42 21.63 15.37 37.31 91.88 49.62 -64.51 -42.00 0.78 0.00 99.22 0.10 0.06 0.49 99.21 0.14 0.00 0.00 0.00 110 K H H 85.25 9.41 19.52 29.46 91.34 52.30 -62.84 -40.97 1.56 0.01 98.44 0.26 0.12 0.98 98.11 0.51 0.00 0.00 0.00 111 K H H 124.14 1.52 21.96 21.24 91.57 50.56 -64.51 -40.27 4.69 0.01 95.30 0.55 0.32 3.46 93.58 2.08 0.00 0.00 0.01 112 C H H 28.41 12.67 15.26 29.05 92.46 50.82 -66.69 -38.56 10.53 0.04 89.43 1.21 0.74 8.22 87.07 2.72 0.01 0.02 0.02 113 L H H 43.65 16.69 12.55 28.67 93.76 53.13 -73.43 -23.57 27.91 0.34 71.74 4.40 2.78 20.71 69.10 2.64 0.03 0.16 0.19 114 R C H 160.69 2.71 14.48 18.25 98.31 60.74 -79.41 -13.03 58.74 1.30 39.96 27.41 1.84 27.58 40.08 1.83 0.00 0.49 0.76 115 E C C 126.07 4.16 13.26 19.14 107.98 93.34 -81.06 116.46 99.95 0.02 0.02 99.85 0.07 0.05 0.02 0.00 0.00 0.01 0.00