# 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 103.00 7.47 12.78 21.62 122.91 -172.55 -111.78 140.10 98.78 1.05 0.17 98.49 0.32 0.20 0.08 0.04 0.00 0.61 0.25 1 A C C 59.61 7.34 10.44 19.06 115.57 -150.83 -94.16 140.44 91.44 2.40 6.16 86.33 1.50 4.96 2.23 2.57 0.00 1.24 1.17 2 D C C 102.83 3.57 12.68 17.56 101.83 -150.53 -85.16 20.71 65.81 3.29 30.91 41.70 9.53 13.02 3.89 28.58 0.00 1.68 1.60 3 F C T 107.01 8.20 11.08 20.28 96.00 105.91 -71.74 -18.93 60.39 1.25 38.36 5.45 7.10 46.34 2.73 37.07 0.01 0.73 0.57 4 L C T 58.93 13.08 10.03 23.52 96.79 50.64 -95.88 2.28 61.12 1.27 37.61 5.80 5.98 47.86 3.02 35.98 0.01 0.71 0.64 5 K C T 139.20 3.53 12.14 17.96 110.85 125.60 -63.98 130.15 95.97 1.11 2.92 3.50 4.57 88.03 0.68 1.93 0.00 0.51 0.77 6 G C T 63.55 1.06 15.31 15.51 94.77 14.11 82.33 -0.25 98.52 0.29 1.20 2.79 7.00 88.76 0.16 1.01 0.00 0.18 0.10 7 L C C 62.61 11.75 9.13 21.60 117.86 128.31 -83.53 142.11 96.97 2.43 0.59 64.52 30.94 1.44 0.15 0.45 0.00 0.96 1.54 8 P C C 76.42 5.75 15.98 22.78 112.02 -105.46 -69.49 139.04 90.78 7.50 1.72 70.45 14.37 5.38 0.43 1.43 0.00 3.50 4.44 9 V C C 58.63 12.65 10.51 23.52 123.25 -168.09 -119.97 138.46 79.66 18.40 1.94 64.22 9.96 3.76 0.66 1.41 0.00 8.20 11.80 10 Y C C 149.31 4.86 14.74 20.59 100.38 -172.59 -92.18 -15.95 85.98 11.61 2.41 43.95 36.38 6.19 0.84 1.59 0.01 6.31 4.73 11 N C C 79.49 4.66 14.47 20.33 113.45 39.31 -120.93 107.05 92.67 4.95 2.38 54.13 34.08 4.36 1.02 1.35 0.00 2.04 3.01 12 K H G 127.62 7.10 11.02 19.73 93.20 -158.77 -63.67 -26.46 45.51 0.61 53.88 5.08 5.94 32.56 13.85 41.78 0.05 0.32 0.42 13 S H G 87.84 1.31 14.82 15.79 92.33 64.10 -74.33 -16.01 42.59 0.48 56.93 3.43 4.60 32.14 15.55 43.63 0.06 0.25 0.33 14 N H G 64.07 7.41 11.71 20.89 97.40 62.90 -87.37 -7.82 34.06 1.47 64.46 11.58 6.84 16.50 18.07 45.55 0.05 0.81 0.62 15 F H G 73.82 13.16 9.81 22.96 97.81 81.39 -74.98 -17.86 28.66 1.59 69.75 10.73 5.39 12.96 23.47 45.88 0.04 0.98 0.57 16 S H G 70.47 4.47 14.47 19.99 96.17 70.71 -76.00 -15.19 32.12 1.19 66.70 7.64 5.04 18.91 20.31 46.88 0.04 0.75 0.43 17 R H G 157.25 2.80 14.51 18.18 98.61 65.09 -88.11 -2.54 37.97 1.56 60.47 10.93 7.48 20.36 16.32 43.32 0.05 0.88 0.66 18 F C C 103.41 9.85 10.36 20.73 108.11 89.86 -88.36 99.68 66.95 4.74 28.31 28.18 22.85 17.10 12.29 14.43 0.15 1.99 3.00 19 H C C 126.45 4.06 12.99 18.41 113.31 70.98 -101.82 114.58 83.44 5.85 10.70 53.24 14.72 15.28 5.07 5.39 0.01 2.83 3.46 20 A C C 65.02 7.42 9.59 18.41 113.70 -154.77 -87.35 132.44 92.36 4.28 3.36 74.81 13.65 3.41 1.93 1.45 0.00 1.90 2.86 21 D C C 78.92 4.90 10.41 17.04 114.90 -136.28 -85.62 136.32 95.06 1.74 3.19 84.29 8.61 1.82 2.55 0.71 0.00 0.64 1.39 22 S H H 87.91 1.66 10.91 13.52 94.55 -124.86 -64.64 -30.28 29.79 0.40 69.81 5.12 5.50 18.83 55.07 14.87 0.17 0.19 0.24 23 V H H 107.37 1.55 11.63 13.36 93.62 57.03 -68.91 -35.17 26.84 0.42 72.75 3.40 3.65 18.62 57.36 16.28 0.25 0.22 0.23 24 C H H 55.54 7.05 9.04 17.57 97.13 49.71 -79.49 -26.35 23.95 1.21 74.84 7.39 4.70 12.21 55.71 18.61 0.22 0.71 0.47 25 K H H 117.21 4.67 10.57 16.85 95.13 65.55 -67.88 -33.54 27.65 1.80 70.55 12.32 5.91 11.87 57.18 10.78 0.19 1.02 0.75 26 A H H 85.01 1.47 11.59 13.29 95.36 56.13 -75.61 -16.81 44.10 1.66 54.24 13.44 8.83 23.72 43.95 8.06 0.31 0.84 0.86 27 S C T 68.48 4.08 9.55 15.24 102.14 66.64 -88.23 7.26 63.93 2.10 33.97 23.08 14.58 27.95 26.12 6.08 0.13 0.88 1.19 28 N C C 121.43 2.92 10.32 14.62 99.99 95.23 -83.08 20.96 85.59 3.17 11.24 41.62 25.08 19.45 6.86 3.85 0.02 1.37 1.75 29 R C C 155.56 2.66 10.90 15.29 116.10 129.76 -94.53 135.43 92.58 4.70 2.71 55.51 30.90 6.26 1.17 1.44 0.00 2.16 2.57 30 R C C 160.96 3.63 10.61 16.32 118.86 -135.58 -94.24 137.60 96.54 3.28 0.18 79.68 16.72 0.41 0.08 0.10 0.00 1.94 1.07 31 P C C 72.29 8.46 8.53 18.36 115.76 -108.65 -67.18 149.81 93.79 5.33 0.89 88.35 4.27 1.36 0.27 0.53 0.00 3.50 1.71 32 S C C 87.40 1.94 12.37 15.39 114.67 -123.02 -86.12 139.76 80.27 17.39 2.33 60.98 15.85 3.42 0.71 1.81 0.00 12.15 5.10 33 V C C 103.47 5.01 9.01 15.89 118.36 -143.55 -105.28 133.49 66.16 30.02 3.82 47.04 15.41 4.13 1.35 2.58 0.02 24.01 5.46 34 Y C C 153.83 3.70 9.59 15.12 118.27 -157.57 -105.64 133.94 62.34 33.73 3.93 46.35 12.13 2.94 1.89 2.28 0.03 23.78 10.59 35 L C C 113.24 3.65 9.27 14.81 117.13 -153.06 -104.05 130.94 83.05 14.60 2.35 60.95 19.62 2.65 0.94 1.41 0.00 11.70 2.72 36 P C C 86.42 4.76 7.70 14.27 111.95 -115.32 -70.24 145.00 88.32 5.23 6.45 67.39 10.44 10.23 1.57 5.15 0.00 3.93 1.30 37 T C C 118.50 1.11 9.73 11.21 99.83 -156.46 -89.39 -6.47 89.67 2.95 7.39 47.93 25.05 16.60 1.57 5.98 0.00 1.52 1.35 38 R C C 163.02 1.60 9.12 12.06 121.16 77.85 -104.20 147.39 91.76 3.20 5.04 40.65 37.69 13.37 1.01 4.12 0.00 1.58 1.58 39 E C C 158.64 1.18 10.43 12.47 113.62 -106.16 -77.98 135.07 96.18 2.29 1.54 71.00 20.29 4.57 0.35 1.33 0.00 1.19 1.27 40 Y C C 116.99 8.33 5.94 15.08 117.31 -129.08 -93.88 135.37 98.76 1.11 0.13 85.13 13.35 0.29 0.06 0.06 0.00 0.48 0.63 41 P C C 80.23 2.35 11.00 14.49 113.85 -108.21 -65.85 149.45 98.53 0.54 0.93 96.17 1.84 0.75 0.25 0.45 0.00 0.24 0.31 42 S H G 95.92 1.48 8.84 11.71 92.81 -114.47 -59.74 -28.18 18.11 0.44 81.44 4.58 2.97 9.83 4.17 78.07 0.00 0.32 0.05 43 E H G 155.33 0.97 11.23 12.08 93.32 62.08 -75.51 -14.51 17.39 0.90 81.71 4.35 2.97 10.10 4.69 77.08 0.00 0.73 0.08 44 Q H G 89.46 7.14 10.08 18.52 100.52 58.64 -91.72 1.21 17.63 2.28 80.09 8.69 3.53 6.05 5.34 74.15 0.00 2.11 0.14 45 I C C 77.50 8.76 10.83 20.88 114.73 101.29 -95.13 126.87 53.91 31.08 15.01 38.41 13.13 2.99 11.82 4.25 0.12 20.85 8.42 46 I C C 86.01 6.90 12.30 20.83 114.22 -151.52 -97.92 124.95 54.68 36.53 8.78 48.32 3.56 1.70 8.03 1.84 0.02 30.89 5.63 47 V C C 88.57 6.09 12.65 20.19 113.51 -160.96 -107.83 117.25 64.58 26.22 9.20 53.94 6.29 2.79 8.24 2.05 0.03 22.79 3.87 48 T C C 68.27 6.69 11.39 19.57 120.94 109.50 -113.51 152.13 74.93 13.15 11.92 56.51 12.15 5.20 10.47 2.79 0.02 10.19 2.67 49 E C H 130.56 3.85 12.57 17.67 100.27 -119.49 -73.10 -22.28 57.28 4.31 38.41 26.84 16.96 14.85 31.44 5.90 0.15 2.62 1.24 50 K C H 140.78 2.89 12.81 16.72 98.69 53.27 -80.88 -14.84 50.46 2.19 47.34 17.11 13.29 21.37 38.80 7.15 0.17 1.34 0.77 51 T H H 70.39 6.73 12.43 20.38 106.97 57.08 -91.79 1.15 47.26 4.18 48.56 20.06 12.46 17.07 39.30 6.90 0.26 2.58 1.37 52 N H H 63.69 7.78 13.18 22.39 108.18 67.37 -91.58 86.38 45.19 5.88 48.92 32.34 7.29 7.61 42.99 4.44 0.06 3.40 1.87 53 I H H 81.89 6.05 14.76 22.12 93.99 -127.76 -64.30 -39.17 6.56 0.44 93.00 3.76 1.11 2.19 91.55 1.03 0.01 0.28 0.08 54 L H H 81.59 5.24 16.20 22.37 92.33 51.96 -64.59 -41.46 2.34 0.20 97.46 1.01 0.33 1.11 96.40 0.95 0.01 0.16 0.02 55 L H H 71.52 5.83 15.92 22.94 92.13 49.70 -65.14 -40.77 1.39 0.16 98.45 0.60 0.19 0.68 97.32 1.05 0.00 0.14 0.02 56 R H H 105.97 5.48 16.23 22.67 91.82 51.35 -64.56 -41.00 1.23 0.12 98.65 0.47 0.15 0.66 97.93 0.67 0.00 0.09 0.01 57 Y H H 104.99 4.66 16.50 21.96 91.97 50.37 -65.13 -41.74 0.87 0.06 99.08 0.33 0.12 0.45 98.73 0.32 0.00 0.04 0.01 58 L H H 75.94 4.41 16.19 21.54 91.96 50.41 -64.11 -41.73 0.59 0.03 99.38 0.20 0.07 0.32 99.14 0.25 0.00 0.02 0.00 59 H H H 94.76 4.09 16.12 21.09 91.93 50.15 -64.91 -40.58 0.74 0.01 99.25 0.17 0.07 0.48 99.00 0.28 0.00 0.01 0.00 60 Q H H 85.74 3.52 15.88 19.93 92.04 50.83 -64.90 -40.66 1.60 0.01 98.38 0.23 0.12 1.21 98.07 0.36 0.00 0.01 0.00 61 Q H H 87.62 2.97 15.33 18.86 92.06 50.56 -64.93 -40.39 3.76 0.02 96.22 0.48 0.31 2.93 95.75 0.50 0.01 0.01 0.01 62 W H H 117.61 3.70 13.71 18.65 92.30 50.82 -65.59 -40.80 3.53 0.04 96.44 0.97 0.47 2.08 95.51 0.93 0.00 0.02 0.01 63 D H H 82.89 3.13 13.58 17.62 92.44 50.85 -65.74 -39.30 4.07 0.04 95.89 1.20 0.49 2.32 95.04 0.91 0.00 0.02 0.01 64 K H H 138.39 1.66 14.14 15.49 93.15 48.89 -68.55 -37.49 6.19 0.04 93.76 1.09 0.67 4.27 92.75 1.17 0.01 0.02 0.02 65 K H H 137.18 1.51 13.96 15.11 94.72 45.03 -73.94 -34.04 15.49 0.11 84.40 1.82 1.87 11.75 83.25 1.17 0.04 0.04 0.05 66 N H H 80.97 4.05 11.93 17.49 99.81 40.36 -95.55 -5.72 44.23 0.39 55.38 13.00 4.95 25.93 53.98 1.73 0.03 0.15 0.22 67 A H H 52.85 3.64 12.06 17.51 93.04 90.16 -62.29 -41.65 7.78 0.11 92.11 3.66 1.06 3.26 89.26 2.67 0.00 0.05 0.03 68 A H H 63.51 1.83 14.22 15.99 92.39 51.06 -64.95 -39.79 5.41 0.09 94.50 1.99 0.68 2.84 91.53 2.89 0.01 0.05 0.02 69 K H H 118.17 1.99 14.28 16.32 92.65 50.62 -66.20 -39.69 4.16 0.11 95.73 1.66 0.58 2.11 92.56 2.98 0.01 0.07 0.02 70 K H H 111.67 2.35 13.93 16.73 92.32 50.81 -65.11 -41.19 4.04 0.12 95.84 1.79 0.62 1.87 94.14 1.48 0.01 0.07 0.03 71 R H H 129.83 1.72 14.50 15.99 92.10 50.26 -64.78 -40.94 5.21 0.14 94.65 2.23 0.69 2.48 93.34 1.14 0.01 0.08 0.03 72 D H H 81.23 1.95 14.08 16.16 92.13 50.57 -65.02 -40.17 5.96 0.13 93.91 2.66 0.77 2.75 92.47 1.23 0.01 0.07 0.03 73 Q H H 99.41 2.15 13.70 16.21 92.33 51.22 -65.04 -40.17 5.23 0.11 94.66 1.97 0.74 2.69 92.97 1.53 0.01 0.06 0.03 74 E H H 109.38 1.78 13.82 15.58 92.25 50.30 -65.87 -39.55 6.97 0.17 92.87 2.50 0.99 3.77 90.68 1.90 0.02 0.10 0.04 75 Q H H 104.90 1.80 13.05 15.05 92.54 50.77 -65.94 -39.11 10.85 0.29 88.86 4.17 1.62 5.75 85.66 2.50 0.04 0.17 0.09 76 V H H 85.46 2.34 12.02 15.20 93.02 52.18 -67.05 -38.70 15.70 0.54 83.77 7.04 2.66 7.30 79.10 3.36 0.05 0.30 0.19 77 E H H 129.71 1.62 12.02 13.98 93.82 52.90 -69.43 -32.09 23.93 0.68 75.38 11.07 3.59 10.65 70.60 3.41 0.04 0.37 0.28 78 L H H 113.74 1.93 10.09 12.99 96.51 59.82 -74.22 -25.50 37.65 1.00 61.34 14.83 6.72 17.84 55.96 3.63 0.07 0.46 0.49 79 E C H 138.95 1.63 10.28 12.69 102.57 61.25 -81.81 3.46 61.58 1.18 37.24 18.31 12.58 31.27 33.16 3.47 0.06 0.47 0.67 80 G C T 50.50 2.56 10.28 14.21 110.61 -37.25 75.66 5.59 85.64 1.09 13.28 31.23 18.87 36.35 7.87 4.55 0.00 0.46 0.68 81 E C C 140.96 2.18 9.48 12.94 102.44 52.81 -82.21 -3.17 83.80 1.89 14.31 46.48 18.35 19.25 5.07 8.79 0.00 0.86 1.19 82 S C C 84.43 2.30 8.81 12.67 103.38 73.48 -86.84 12.53 87.41 1.92 10.67 47.87 18.92 20.79 2.87 7.52 0.00 0.90 1.13 83 S C C 86.45 1.97 8.72 12.04 103.35 109.37 -88.01 12.77 91.12 1.92 6.96 51.73 25.96 13.42 1.68 5.14 0.00 0.82 1.25 84 A C C 76.38 2.67 8.07 12.65 117.00 116.32 -89.15 141.38 98.15 1.32 0.53 54.20 43.11 0.99 0.20 0.25 0.00 0.45 0.80 85 P C C 107.19 1.60 9.82 12.71 115.41 -102.41 -68.56 149.38 98.92 0.61 0.47 88.37 9.62 0.97 0.17 0.25 0.00 0.28 0.34 86 P C C 104.80 3.12 8.12 13.49 113.71 -102.69 -66.54 144.72 96.21 1.68 2.10 88.39 5.34 2.50 0.76 1.19 0.00 0.83 0.99 87 R C C 172.33 1.94 8.60 12.32 115.05 -124.50 -91.21 135.65 91.51 5.66 2.83 79.50 8.71 2.73 1.31 1.49 0.00 2.93 3.32 88 K C C 158.33 2.15 8.43 12.49 111.94 -128.35 -84.60 131.86 86.48 9.71 3.81 67.93 15.05 2.78 2.12 1.78 0.00 5.78 4.56 89 V C C 106.56 2.55 8.88 13.41 120.38 -166.41 -107.71 136.32 83.41 12.50 4.10 69.34 11.38 1.90 2.57 1.67 0.00 7.90 5.24 90 A C C 80.95 2.56 9.90 14.33 114.22 -111.69 -69.26 144.84 83.63 11.48 4.89 75.75 4.82 2.76 2.48 2.29 0.00 7.89 4.01 91 R C C 150.32 4.60 8.17 14.60 112.63 -122.17 -85.79 133.48 86.48 8.25 5.27 73.32 7.35 4.99 2.43 2.88 0.00 4.68 4.36 92 T C C 105.01 2.31 9.04 12.90 105.54 -157.76 -90.54 26.15 92.83 3.08 4.08 53.20 19.93 19.87 1.47 2.48 0.00 1.72 1.33 93 D C C 121.97 1.30 9.54 11.66 105.18 60.26 -91.79 51.33 95.38 1.88 2.73 42.53 33.92 19.10 0.72 1.92 0.00 0.90 0.90 94 S C C 59.43 5.03 6.94 13.85 116.63 135.68 -94.47 136.98 95.78 1.12 3.10 67.17 25.74 2.90 1.50 1.37 0.00 0.41 0.89 95 P C C 108.96 1.77 9.68 12.64 102.35 -128.33 -70.78 6.14 76.71 0.97 22.32 42.37 11.55 23.14 8.62 13.22 0.00 0.47 0.63 96 D C C 103.92 2.84 8.71 13.16 107.00 87.39 -85.48 84.77 71.04 1.69 27.27 40.05 10.32 21.17 11.10 15.53 0.01 0.84 0.99 97 M C C 122.41 3.91 7.73 13.35 103.12 95.14 -85.62 6.23 64.50 2.34 33.17 40.80 11.36 12.33 14.45 18.69 0.01 1.20 1.17 98 H C C 144.26 2.04 8.72 12.22 104.98 81.57 -89.57 41.58 69.13 2.46 28.40 44.78 11.20 13.13 14.58 13.74 0.02 1.23 1.32 99 E C C 133.33 2.77 7.65 12.25 109.93 115.39 -87.46 117.95 75.78 2.26 21.95 47.96 13.75 14.45 10.44 11.00 0.01 1.13 1.26 100 D C C 111.41 2.41 7.85 12.07 109.76 -156.17 -91.68 111.19 89.47 1.46 9.06 75.04 3.61 11.88 4.48 3.37 0.00 0.82 0.80 101 T C C 102.21 2.84 9.62 14.16 106.54 -167.19 -94.44 47.13 99.68 0.18 0.13 99.15 0.35 0.28 0.06 0.02 0.00 0.10 0.04