# 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 110.47 5.01 11.68 17.96 113.31 -117.22 -88.64 137.13 99.06 0.56 0.38 98.64 0.34 0.23 0.27 0.05 0.00 0.31 0.15 1 A C C 72.04 3.31 9.43 14.20 105.13 -126.24 -75.67 92.89 69.29 4.94 25.76 63.42 1.79 4.66 22.94 2.56 0.00 2.86 1.77 2 K C H 147.50 1.75 9.38 12.25 98.26 60.24 -72.08 -28.67 48.87 4.99 46.13 33.28 8.22 8.95 39.73 5.11 0.05 3.47 1.18 3 S H H 75.48 2.17 9.49 12.85 98.46 55.84 -72.82 -31.33 42.54 4.54 52.92 28.03 7.38 8.92 44.36 6.98 0.05 3.29 0.99 4 A H H 72.61 2.38 10.15 13.72 97.66 56.91 -70.99 -32.68 36.38 3.36 60.26 23.78 6.65 7.94 51.22 7.23 0.04 2.31 0.82 5 R H H 150.90 2.12 11.00 14.06 97.58 56.22 -74.09 -30.15 36.02 3.26 60.72 23.77 6.53 7.76 53.54 5.37 0.04 2.13 0.86 6 A H H 63.40 3.59 10.48 15.60 99.43 58.54 -74.04 -27.87 39.29 2.03 58.68 27.13 6.84 6.64 54.30 3.35 0.02 1.14 0.58 7 S H H 67.76 2.80 11.83 15.59 100.76 63.10 -75.03 -27.02 36.41 1.41 62.19 25.04 5.99 6.18 59.25 2.38 0.01 0.75 0.40 8 R H H 144.95 2.20 13.08 15.71 96.99 59.21 -72.42 -34.79 24.61 1.28 74.11 16.12 4.77 5.00 71.09 1.96 0.02 0.73 0.31 9 I H H 92.22 3.97 12.84 17.95 95.94 54.88 -68.41 -39.35 17.97 1.14 80.89 12.43 2.89 3.68 78.49 1.55 0.01 0.69 0.25 10 K H H 115.52 3.09 14.34 18.13 93.45 51.98 -66.87 -40.32 11.54 0.56 87.91 7.75 1.80 2.82 85.96 1.22 0.01 0.32 0.13 11 E H H 107.65 1.97 15.86 17.46 92.73 50.82 -65.73 -40.60 6.40 0.20 93.40 3.52 1.02 2.18 92.27 0.84 0.01 0.11 0.05 12 N H H 75.30 3.38 15.02 19.31 92.77 50.53 -65.20 -40.78 4.30 0.11 95.60 2.06 0.66 1.74 94.82 0.63 0.01 0.05 0.03 13 H H H 89.96 5.14 14.53 20.97 92.57 50.73 -65.27 -40.31 2.40 0.06 97.54 0.97 0.37 1.11 97.10 0.40 0.01 0.03 0.01 14 Q H H 92.28 2.68 16.12 19.08 92.02 51.34 -64.57 -40.98 1.78 0.05 98.18 0.61 0.26 0.92 97.84 0.33 0.01 0.02 0.01 15 R H H 128.71 1.95 16.64 18.04 92.15 49.54 -64.87 -40.98 1.69 0.04 98.27 0.52 0.24 0.92 97.94 0.34 0.02 0.02 0.01 16 F H H 90.16 4.96 13.91 20.30 92.37 49.79 -65.25 -41.31 2.05 0.05 97.90 0.58 0.30 1.18 97.45 0.43 0.03 0.02 0.01 17 K H H 100.16 5.70 13.46 20.48 92.40 51.23 -65.06 -39.86 2.94 0.06 97.00 0.61 0.38 1.94 96.45 0.52 0.05 0.03 0.02 18 K H H 142.31 1.51 15.25 16.42 93.75 48.53 -69.85 -36.20 5.05 0.08 94.87 0.49 0.57 4.07 94.02 0.55 0.22 0.02 0.05 19 N H H 109.16 1.52 15.61 16.32 101.48 34.55 -89.91 -36.95 17.96 0.13 81.91 0.57 1.56 16.50 80.21 0.85 0.17 0.04 0.10 20 I C T 93.57 3.74 14.65 18.90 103.86 25.31 -95.48 -43.00 70.19 0.14 29.67 0.65 3.77 63.89 30.39 1.06 0.05 0.04 0.14 21 A H H 44.78 7.74 13.22 22.31 99.05 32.57 -92.62 -22.00 35.22 0.22 64.57 2.42 3.75 28.68 62.87 1.92 0.13 0.07 0.16 22 G H H 28.96 5.08 14.02 21.08 92.43 76.09 -58.85 -44.78 3.02 0.02 96.96 1.16 0.39 1.20 96.72 0.52 0.00 0.01 0.00 23 P H H 82.19 1.86 17.08 18.13 91.99 47.70 -65.42 -39.34 1.66 0.01 98.33 0.53 0.17 0.83 97.98 0.47 0.00 0.00 0.00 24 V H H 72.16 4.22 16.15 21.08 92.48 49.64 -65.50 -41.60 0.35 0.00 99.65 0.09 0.03 0.17 99.52 0.19 0.00 0.00 0.00 25 E H H 84.54 5.60 15.39 22.19 92.09 50.07 -63.88 -41.93 0.17 0.00 99.83 0.03 0.01 0.08 99.82 0.04 0.00 0.00 0.00 26 A H H 60.59 2.11 17.44 18.99 91.77 50.01 -63.91 -41.51 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.02 0.00 0.00 0.00 27 A H H 53.98 2.31 16.48 18.72 91.87 50.48 -64.21 -41.16 0.16 0.00 99.84 0.01 0.01 0.10 99.85 0.02 0.00 0.00 0.00 28 R H H 107.74 4.65 15.39 20.96 92.11 50.35 -64.98 -40.69 0.19 0.00 99.81 0.02 0.01 0.13 99.83 0.02 0.00 0.00 0.00 29 L H H 86.11 3.41 15.72 19.79 91.84 50.88 -64.04 -40.97 0.15 0.00 99.85 0.02 0.01 0.09 99.87 0.01 0.00 0.00 0.00 30 E H H 120.32 1.35 17.05 17.02 91.84 50.00 -64.66 -40.69 0.13 0.00 99.87 0.01 0.01 0.08 99.88 0.01 0.00 0.00 0.00 31 R H H 131.86 2.10 15.99 17.93 91.99 49.72 -64.68 -41.48 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 32 L H H 79.94 4.05 14.68 19.58 91.98 49.47 -64.62 -41.07 0.17 0.00 99.83 0.02 0.01 0.12 99.84 0.02 0.00 0.00 0.00 33 S H H 58.84 2.15 15.68 17.81 91.67 50.81 -63.67 -41.13 0.26 0.00 99.74 0.02 0.01 0.18 99.76 0.03 0.00 0.00 0.00 34 A H H 59.69 1.80 15.67 17.00 91.72 50.76 -64.43 -40.66 0.35 0.00 99.65 0.02 0.02 0.25 99.65 0.06 0.00 0.00 0.00 35 K H H 115.61 2.39 14.85 17.49 91.98 50.43 -64.95 -40.34 0.56 0.00 99.44 0.03 0.03 0.43 99.34 0.16 0.00 0.00 0.00 36 L H H 92.95 2.65 13.98 17.15 91.98 50.57 -64.75 -40.28 0.67 0.00 99.33 0.06 0.03 0.49 99.12 0.30 0.00 0.00 0.00 37 M H H 112.79 1.42 14.48 15.26 92.10 50.57 -64.90 -40.40 0.50 0.00 99.50 0.06 0.03 0.33 99.11 0.47 0.00 0.00 0.00 38 A H H 61.19 1.92 13.34 15.55 92.31 51.17 -64.87 -40.01 0.88 0.00 99.12 0.08 0.05 0.65 98.35 0.87 0.00 0.00 0.00 39 I H H 98.87 2.95 11.71 15.74 92.71 49.92 -66.98 -36.86 1.72 0.00 98.28 0.14 0.10 1.37 97.08 1.31 0.00 0.00 0.00 40 A H H 78.67 1.86 11.12 13.82 92.51 55.88 -68.65 -24.34 10.71 0.03 89.27 0.54 0.58 9.38 88.27 1.17 0.02 0.01 0.02 41 Q C T 146.00 0.82 11.68 11.90 95.90 54.02 -87.41 -2.81 57.18 0.21 42.61 3.64 4.25 47.36 42.50 1.97 0.04 0.07 0.17 42 A C S 63.35 4.48 7.17 13.77 116.99 107.62 -78.28 144.35 99.04 0.51 0.45 26.28 72.01 0.80 0.35 0.09 0.00 0.15 0.32 43 P C C 110.47 1.47 10.03 12.53 113.07 -102.76 -67.86 145.82 97.87 1.38 0.75 91.81 5.12 0.76 0.48 0.21 0.00 0.47 1.16 44 K C C 149.37 2.81 7.76 12.69 114.50 -112.71 -88.29 134.37 97.37 0.94 1.70 93.10 3.68 0.63 1.28 0.31 0.00 0.34 0.65 45 P C C 93.23 3.42 7.84 13.23 112.30 -111.39 -69.18 148.23 83.12 1.07 15.81 72.60 5.10 5.76 10.54 4.83 0.00 0.54 0.63 46 D C C 120.06 1.33 8.83 11.19 107.75 -124.84 -85.57 119.25 72.46 1.52 26.02 57.44 7.73 7.10 18.61 7.57 0.00 0.76 0.79 47 I C C 121.60 2.79 7.57 12.02 110.73 -159.07 -90.94 125.60 58.12 2.20 39.68 43.58 8.08 6.64 30.05 9.61 0.01 1.26 0.77 48 E C C 135.87 2.00 8.81 12.14 109.41 -137.27 -86.92 117.28 58.69 2.67 38.65 48.22 5.22 5.60 31.17 7.31 0.00 1.68 0.78 49 M C C 123.19 2.91 8.07 12.63 106.95 -137.90 -85.96 77.17 52.47 3.06 44.47 41.62 5.94 5.64 37.83 6.19 0.01 1.93 0.85 50 K C H 143.46 1.97 9.21 12.40 106.19 55.50 -82.81 57.18 50.12 2.80 47.09 38.64 6.19 6.12 41.54 4.98 0.01 1.74 0.79 51 E H H 133.70 2.06 9.16 12.38 103.23 53.91 -78.03 5.45 45.18 2.12 52.71 33.29 6.35 6.72 46.69 5.05 0.01 1.25 0.64 52 E H H 131.82 2.19 9.45 12.82 99.65 60.48 -76.85 -21.12 40.74 1.57 57.69 28.00 6.54 7.57 51.50 4.98 0.02 0.89 0.50 53 S H H 73.38 2.61 9.69 13.51 101.86 62.00 -76.77 -23.31 41.07 1.44 57.48 26.83 6.86 8.83 51.15 5.01 0.02 0.81 0.49 54 E H H 128.39 2.18 10.10 13.30 100.65 55.42 -77.90 -21.82 40.33 1.53 58.14 26.35 7.15 8.51 51.61 4.98 0.02 0.83 0.54 55 A H H 69.99 2.90 9.52 13.78 101.57 62.98 -74.86 -27.85 44.80 1.67 53.53 29.69 7.52 8.96 47.71 4.58 0.02 0.90 0.61 56 T C H 92.03 2.62 9.62 13.50 102.34 59.55 -82.24 -6.52 51.83 1.71 46.46 35.57 7.44 9.57 41.35 4.47 0.01 0.90 0.68 57 A C C 77.10 2.49 9.11 12.98 101.39 67.19 -77.13 -5.23 57.80 1.69 40.52 36.30 10.56 11.51 35.39 4.64 0.02 0.82 0.75 58 E C C 140.58 1.84 9.55 12.48 105.48 59.90 -85.85 54.72 66.51 1.59 31.90 41.19 13.01 12.27 27.64 4.31 0.01 0.70 0.85 59 Q C C 122.50 2.53 8.62 12.75 110.49 59.94 -89.94 123.45 76.47 1.32 22.21 52.28 17.36 6.35 19.62 3.08 0.00 0.55 0.76 60 P C C 92.77 3.29 8.26 13.29 110.54 -124.26 -75.10 141.02 74.09 1.34 24.57 60.14 5.89 7.94 20.06 4.59 0.00 0.73 0.64 61 K C C 151.12 1.94 9.09 12.38 108.88 -130.49 -83.94 114.85 69.04 2.00 28.95 50.46 9.31 9.28 22.29 6.56 0.01 1.03 1.05 62 E C C 140.47 2.02 8.64 12.06 109.66 -124.21 -85.84 116.11 66.91 2.01 31.08 46.35 10.88 9.87 23.27 7.57 0.01 1.05 1.00 63 S C C 80.07 2.71 8.05 12.38 110.51 -141.46 -89.01 119.80 70.25 1.89 27.87 49.60 9.74 10.86 20.43 7.44 0.00 1.00 0.93 64 T C C 103.70 2.09 8.31 11.89 107.71 -147.14 -90.10 78.22 72.77 2.06 25.17 50.63 11.66 10.28 18.78 6.51 0.01 1.03 1.09 65 Q C C 132.77 2.02 8.24 11.84 112.08 63.67 -89.86 125.03 77.48 2.15 20.37 54.94 13.41 8.67 15.70 5.03 0.00 1.04 1.19 66 T C C 99.85 2.44 7.73 11.90 113.60 -138.28 -91.10 128.47 80.72 2.37 16.91 62.46 9.66 7.97 13.38 4.02 0.00 1.22 1.30 67 K C C 149.50 2.15 8.16 11.95 110.91 -148.06 -89.93 114.08 80.48 2.37 17.15 57.87 12.99 9.07 13.21 4.30 0.00 1.19 1.35 68 D C C 111.65 2.07 8.35 11.90 109.90 -122.17 -87.88 102.03 80.11 2.12 17.76 57.08 11.95 10.60 12.57 5.54 0.00 1.13 1.13 69 D C C 108.73 2.59 7.98 12.22 108.50 71.76 -89.94 98.51 76.39 2.22 21.39 51.21 13.70 11.23 14.26 7.28 0.00 1.18 1.12 70 T C C 104.88 1.94 8.67 12.00 106.24 67.48 -91.06 68.19 72.70 3.11 24.18 48.09 12.95 11.55 15.74 8.53 0.01 1.78 1.35 71 A C C 80.83 2.38 8.38 12.36 113.04 77.37 -91.60 129.63 70.35 5.98 23.67 47.52 12.72 9.97 15.62 8.29 0.02 3.79 2.08 72 M C C 129.07 2.90 8.01 12.65 113.89 -141.76 -93.35 126.57 71.99 10.01 17.99 52.63 11.31 7.65 12.20 6.16 0.02 7.01 3.02 73 D C C 101.74 2.70 8.85 13.24 111.32 -148.90 -92.08 121.00 72.80 15.04 12.15 60.39 6.54 4.59 9.43 3.32 0.01 9.46 6.25 74 V C C 108.40 2.98 7.85 12.49 103.27 -169.31 -90.21 7.01 74.97 8.83 16.20 52.10 9.65 12.90 11.30 5.02 0.02 5.63 3.39 75 D C C 115.49 1.70 8.69 11.55 103.31 80.56 -83.45 29.22 81.90 4.06 14.04 39.20 16.08 27.32 8.18 5.34 0.01 2.34 1.52 76 G C C 57.27 1.90 9.42 12.45 104.89 60.74 -86.57 5.62 86.80 2.54 10.67 39.39 22.38 25.69 4.71 5.43 0.00 1.29 1.11 77 A C C 79.69 2.66 7.88 12.33 111.67 114.01 -87.18 125.41 90.69 2.86 6.45 57.49 22.21 11.02 2.95 3.38 0.00 1.43 1.53 78 K C C 152.47 1.82 8.55 11.99 116.23 -145.18 -94.78 134.53 95.22 2.90 1.89 68.98 24.50 1.84 1.19 0.72 0.00 1.41 1.36 79 P C C 101.94 3.00 7.93 12.90 112.49 -112.81 -71.64 143.23 94.09 2.82 3.09 85.24 5.50 3.53 1.41 1.43 0.00 1.77 1.12 80 T C C 107.39 1.78 8.54 11.94 114.59 -137.25 -94.06 135.14 91.39 4.11 4.49 80.76 6.51 4.07 2.41 1.92 0.00 2.50 1.83 81 L C C 128.72 2.22 7.44 11.50 111.03 -130.22 -87.27 129.54 88.82 4.32 6.86 75.36 8.19 5.06 4.12 2.76 0.00 2.79 1.72 82 S C C 89.25 1.68 8.47 11.57 112.16 -156.54 -91.48 131.97 85.49 4.92 9.59 66.86 10.15 8.18 5.53 4.18 0.00 3.25 1.86 83 G C C 56.68 2.06 8.39 11.88 111.92 -44.69 -92.57 127.61 82.63 6.55 10.82 56.67 16.37 9.48 6.15 4.83 0.00 4.25 2.25 84 V C C 115.60 2.15 8.17 11.91 110.34 -117.46 -88.74 124.11 79.78 8.30 11.92 57.69 15.71 6.06 7.85 4.37 0.01 5.33 2.99 85 K C C 151.00 2.02 8.48 12.05 109.71 -132.23 -88.84 126.06 79.46 7.98 12.56 61.84 10.79 6.26 8.35 4.51 0.01 5.18 3.07 86 S C C 84.68 2.49 8.44 12.59 109.01 -157.15 -87.22 117.74 79.69 5.71 14.59 54.45 13.25 11.83 8.51 6.20 0.01 3.66 2.08 87 G C C 55.16 2.42 9.18 12.93 107.05 30.64 -85.26 26.12 81.53 4.72 13.76 50.15 17.10 14.47 7.41 6.28 0.01 2.91 1.67 88 K C C 149.33 2.12 8.94 12.56 109.55 77.15 -91.63 120.28 81.29 5.34 13.37 53.16 19.09 9.10 8.11 5.29 0.01 3.20 2.04 89 S C C 78.92 2.76 8.51 12.92 111.09 62.16 -90.62 124.57 80.60 6.95 12.45 61.88 11.26 6.84 8.53 4.30 0.01 4.47 2.71 90 I C C 118.76 3.10 8.46 13.11 111.32 -157.54 -92.86 122.89 73.24 5.76 21.01 48.31 11.34 13.63 13.59 7.34 0.02 3.65 2.13 91 G C C 51.41 2.56 9.46 13.32 109.04 49.76 -84.59 117.81 74.12 4.25 21.63 42.25 14.61 17.69 12.98 8.32 0.03 2.63 1.50 92 R C C 168.35 2.13 8.37 11.92 102.10 -81.82 -83.25 -3.50 70.97 5.12 23.91 45.43 14.78 10.95 15.67 8.17 0.02 3.20 1.77 93 K C C 148.29 1.99 8.43 11.85 104.96 64.92 -86.10 50.51 71.63 5.83 22.54 52.73 10.64 8.12 16.68 6.08 0.01 3.71 2.04 94 D C C 107.58 2.35 8.35 12.29 108.45 64.07 -89.92 104.56 76.53 3.88 19.59 61.22 8.84 6.10 15.66 4.32 0.00 2.53 1.32 95 S C C 83.26 2.40 7.36 11.50 112.00 83.55 -90.25 123.79 76.78 3.73 19.49 63.31 7.12 6.07 15.41 4.33 0.00 2.52 1.22 96 R C C 173.21 1.74 7.83 11.05 114.62 -150.03 -96.47 126.27 77.44 5.61 16.95 63.86 7.74 5.35 13.46 3.88 0.00 3.90 1.80 97 K C C 154.55 1.78 7.81 11.24 114.56 -145.95 -92.36 132.46 80.82 7.28 11.90 69.47 6.59 4.30 9.30 2.88 0.00 5.07 2.38 98 R C C 168.72 2.26 7.13 11.28 114.70 -144.34 -92.44 131.63 87.14 5.32 7.54 77.21 5.82 3.79 5.79 1.89 0.00 3.57 1.93 99 R C C 179.08 1.59 7.39 10.52 114.37 -152.71 -96.26 134.45 90.90 3.84 5.26 74.94 10.83 4.83 3.78 1.61 0.00 2.51 1.49 100 G C C 56.66 1.85 7.75 11.06 116.01 -132.64 -94.45 153.75 94.20 2.56 3.25 72.99 16.66 4.63 1.81 1.35 0.00 1.70 0.86 101 K C C 164.22 1.31 8.57 10.99 113.30 -97.99 -85.73 134.35 90.88 4.73 4.39 78.46 8.25 3.98 2.21 2.02 0.00 2.98 2.10 102 K C C 154.17 2.14 7.37 11.31 114.61 -143.05 -96.97 136.95 89.43 5.11 5.45 73.06 10.61 5.36 2.62 2.73 0.00 2.98 2.64 103 S C C 80.05 3.09 7.44 12.31 113.13 -133.49 -90.65 137.33 91.62 3.38 5.01 72.77 11.61 7.32 1.85 2.95 0.00 2.34 1.14 104 S C C 91.62 1.57 9.08 11.82 107.83 -144.40 -91.54 83.51 89.11 6.30 4.59 57.98 23.74 7.65 1.71 2.74 0.00 4.78 1.40 105 I C C 122.74 3.25 7.56 12.53 115.57 105.06 -99.54 127.65 77.45 20.00 2.55 57.89 14.89 3.93 1.13 1.53 0.00 16.00 4.62 106 V C C 114.43 2.00 9.02 12.59 118.67 -166.00 -109.90 132.67 74.01 24.72 1.27 62.33 9.11 1.32 0.73 0.64 0.00 18.93 6.94 107 F C C 136.11 4.04 7.15 13.10 117.99 -144.81 -101.42 137.91 87.17 12.51 0.31 72.79 13.90 0.53 0.15 0.17 0.00 10.65 1.80 108 P C C 99.76 2.11 10.01 13.45 114.91 -105.71 -69.60 149.29 93.44 5.68 0.87 87.35 4.65 1.40 0.33 0.44 0.00 4.70 1.12 109 M C C 146.42 1.98 8.64 12.51 112.73 -109.56 -76.21 137.93 92.28 6.07 1.65 80.24 9.31 2.37 0.71 0.88 0.00 3.47 3.02 110 K C C 152.00 2.35 7.76 11.83 114.88 -140.22 -95.61 133.94 93.17 4.64 2.19 74.13 16.11 2.50 1.08 1.05 0.00 2.27 2.87 111 G C C 48.21 2.26 8.33 12.09 122.77 -133.17 -99.56 173.65 93.40 1.81 4.79 72.83 15.83 4.81 2.09 2.51 0.00 0.95 0.98 112 P C C 115.51 1.30 9.56 11.54 109.26 -76.44 -74.69 141.55 83.76 1.75 14.49 55.67 14.23 14.05 5.99 8.20 0.00 0.92 0.92 113 K C C 146.79 2.46 7.05 11.34 111.26 -124.51 -84.72 132.83 77.72 3.25 19.03 50.00 13.60 14.35 8.72 9.93 0.01 1.66 1.73 114 R C C 176.49 1.59 7.44 10.45 108.21 -151.81 -86.28 105.98 71.77 3.52 24.71 43.35 15.92 13.00 12.19 11.94 0.02 1.72 1.85 115 N C C 121.67 1.73 7.39 10.49 108.95 65.08 -87.83 105.08 69.65 2.69 27.66 38.16 15.67 16.50 11.83 15.17 0.02 1.41 1.24 116 N C C 123.14 1.72 6.86 10.07 108.94 -111.22 -87.51 104.03 68.41 3.58 28.00 37.27 15.25 16.90 10.85 16.21 0.04 1.95 1.53 117 L C C 131.64 1.63 6.05 9.26 110.51 73.07 -88.16 117.36 71.05 5.78 23.16 42.60 15.27 14.03 9.06 13.33 0.04 3.28 2.39 118 K C C 163.71 1.14 6.85 9.30 111.51 -135.51 -86.71 127.45 83.66 4.69 11.65 71.58 3.30 9.55 5.69 4.94 0.00 2.84 2.10 119 K C C 156.01 1.97 8.60 12.22 109.44 -127.88 -84.46 124.14 99.60 0.26 0.13 99.11 0.32 0.27 0.07 0.02 0.00 0.15 0.05