# 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 106.24 7.45 14.14 22.67 115.85 -162.22 -94.51 130.54 99.78 0.20 0.02 99.69 0.13 0.04 0.01 0.00 0.00 0.09 0.03 1 A C C 68.04 6.43 11.36 19.23 112.75 -139.81 -90.61 131.56 90.72 5.28 3.99 87.42 1.53 1.74 3.38 0.53 0.00 2.02 3.37 2 T C C 64.92 8.24 10.10 19.65 114.77 -123.95 -82.11 139.18 81.60 1.17 17.22 64.38 11.26 4.80 16.56 1.91 0.00 0.51 0.57 3 P C H 87.61 3.96 13.43 18.65 98.58 -115.05 -65.61 -30.32 54.44 0.84 44.72 34.78 6.08 13.53 38.80 5.97 0.01 0.42 0.40 4 S H H 62.35 4.89 14.48 20.46 100.31 47.28 -76.21 -21.51 41.25 0.94 57.82 23.71 5.75 12.99 48.54 8.05 0.02 0.47 0.45 5 L H H 46.78 14.71 11.47 26.11 94.18 61.84 -67.69 -36.42 16.70 0.49 82.81 9.15 3.56 5.64 73.01 8.16 0.03 0.28 0.18 6 R H H 133.12 5.52 15.72 22.57 92.64 57.67 -63.30 -39.89 9.48 0.21 90.31 3.70 1.56 4.78 83.38 6.35 0.02 0.13 0.07 7 G H H 38.53 2.39 17.25 19.53 92.49 49.91 -64.30 -39.64 9.71 0.20 90.10 3.13 1.48 5.58 82.74 6.84 0.03 0.12 0.07 8 R H H 82.18 9.81 15.12 25.96 92.60 51.00 -66.48 -39.97 8.63 0.21 91.16 2.94 1.42 4.82 83.73 6.85 0.04 0.13 0.07 9 L H H 45.17 14.34 12.77 27.39 92.35 52.09 -65.44 -37.38 10.67 0.30 89.02 3.54 1.81 6.01 81.41 6.87 0.05 0.19 0.11 10 A H H 73.26 2.89 16.78 20.17 91.87 56.13 -67.38 -26.81 24.33 0.45 75.22 6.05 3.42 15.54 67.95 6.48 0.09 0.24 0.22 11 R H H 148.33 3.31 15.54 19.69 94.69 57.35 -79.25 -14.08 46.43 0.96 52.61 12.01 6.63 28.91 44.44 6.87 0.12 0.46 0.55 12 F C T 75.37 13.66 10.32 23.82 104.54 80.72 -81.14 60.00 68.17 1.57 30.26 28.03 12.64 28.07 24.69 4.97 0.04 0.64 0.91 13 G C C 54.99 2.90 15.39 19.05 103.85 -129.13 70.28 11.98 89.95 1.26 8.78 44.84 17.90 27.72 5.00 3.22 0.00 0.53 0.78 14 N C C 71.98 8.38 9.88 19.59 113.98 130.42 -100.58 117.65 98.23 1.04 0.73 77.31 18.95 1.85 0.30 0.37 0.00 0.38 0.84 15 P C T 104.66 3.34 11.88 16.86 95.62 -149.04 -69.26 -16.72 97.66 0.41 1.93 30.38 27.20 39.93 0.26 1.83 0.00 0.21 0.19 16 R C S 155.61 2.62 12.61 16.73 115.02 81.45 -88.11 139.04 97.51 0.79 1.71 26.90 39.11 31.33 0.21 1.70 0.00 0.40 0.35 17 K C C 135.33 4.78 13.90 20.39 113.74 -106.92 -79.14 131.27 98.03 1.53 0.44 61.49 35.76 0.92 0.13 0.27 0.00 0.62 0.82 18 P C C 45.33 14.94 10.67 25.59 114.91 -111.52 -68.88 145.78 98.07 1.65 0.29 96.14 1.78 0.43 0.08 0.13 0.00 0.88 0.55 19 V C C 89.35 5.28 18.18 24.09 110.41 -125.06 -83.71 128.79 93.67 5.97 0.36 77.64 15.09 1.01 0.13 0.24 0.00 2.56 3.33 20 L C C 59.25 15.82 10.77 26.11 115.97 -140.33 -91.89 131.51 89.30 10.41 0.28 75.38 13.42 0.62 0.11 0.17 0.00 4.08 6.21 21 K C C 132.06 4.00 17.55 22.83 117.31 -158.98 -113.08 124.08 97.40 2.53 0.07 93.83 3.73 0.16 0.02 0.04 0.00 1.63 0.60 22 P C C 62.72 12.47 12.30 25.15 114.71 -115.08 -67.39 146.21 96.74 2.59 0.67 91.21 3.99 1.71 0.18 0.40 0.00 1.42 1.09 23 N C C 104.00 6.01 15.27 22.36 101.11 -142.26 -87.14 2.28 97.90 1.40 0.69 62.03 33.29 2.61 0.20 0.45 0.00 0.54 0.87 24 K C S 105.94 6.81 15.17 23.33 125.99 38.01 -117.91 143.77 96.49 2.31 1.20 36.80 59.10 1.07 0.63 0.42 0.00 0.92 1.07 25 P C C 73.24 7.97 17.21 26.02 115.31 -98.88 -67.47 149.35 94.37 2.51 3.11 86.02 6.33 2.44 1.15 1.61 0.00 1.61 0.83 26 L C C 42.42 18.73 13.30 31.56 112.99 -110.28 -77.15 135.08 84.10 10.67 5.23 75.35 5.74 2.68 2.79 2.38 0.00 6.64 4.42 27 I C C 83.26 8.42 21.12 30.07 120.64 -160.14 -111.69 133.61 72.28 20.83 6.89 59.01 8.35 3.15 4.82 2.53 0.01 12.68 9.47 28 L C C 40.72 18.63 13.78 31.73 113.95 -144.59 -88.99 133.01 74.23 15.19 10.57 59.39 9.22 4.92 6.33 4.53 0.01 10.65 4.94 29 A C C 47.30 8.93 17.94 27.51 113.90 -131.90 -80.04 157.57 74.20 5.35 20.45 45.92 16.86 11.84 11.19 9.02 0.02 3.37 1.78 30 N C C 98.04 7.69 17.19 25.50 101.13 -95.29 -79.31 13.88 72.33 3.86 23.81 34.83 21.59 17.09 12.09 10.74 0.06 2.19 1.41 31 R C C 120.02 7.54 18.31 26.58 117.87 69.44 -109.23 139.54 66.75 10.93 22.32 45.48 10.80 10.00 13.32 9.31 0.04 6.99 4.04 32 V C C 41.71 16.31 13.02 28.85 111.85 -149.33 -92.01 122.56 65.45 10.78 23.77 44.53 11.32 9.48 16.71 7.24 0.06 6.58 4.08 33 G C C 32.44 9.55 15.88 25.95 107.48 24.03 -71.14 -35.18 70.18 5.32 24.50 35.53 15.29 19.96 14.66 9.39 0.05 3.22 1.90 34 E C C 115.16 6.13 15.01 22.10 101.92 -10.74 -83.26 16.76 73.01 2.43 24.56 29.48 19.63 24.91 13.06 10.50 0.05 1.15 1.22 35 R C C 124.51 7.57 12.18 20.94 106.11 111.35 -85.73 53.85 73.84 2.58 23.58 35.89 19.71 19.01 13.13 9.69 0.03 1.17 1.39 36 R C C 132.77 6.10 11.91 19.44 112.61 82.00 -88.52 126.73 78.02 3.39 18.60 49.81 15.05 13.10 11.04 7.58 0.01 1.69 1.72 37 R C C 149.73 4.73 11.86 18.15 107.13 -131.47 -81.74 106.31 78.46 3.22 18.32 48.72 16.58 13.12 11.19 7.17 0.01 1.67 1.53 38 E C C 116.77 5.09 10.61 17.35 111.42 -145.43 -89.97 124.56 80.13 2.87 16.99 48.67 18.35 13.06 10.48 6.54 0.01 1.40 1.49 39 K C C 148.66 2.98 11.98 16.55 107.99 -116.78 -80.14 112.17 81.13 1.85 17.01 42.76 17.47 21.26 10.54 6.08 0.01 0.85 1.04 40 G C C 51.16 3.98 13.47 18.77 106.49 18.13 79.46 -4.88 82.36 1.34 16.30 34.24 24.36 24.48 9.63 5.90 0.01 0.54 0.84 41 E C C 102.84 7.50 13.81 22.40 107.24 86.68 -85.50 76.02 74.13 2.42 23.45 42.33 20.94 11.14 18.28 4.99 0.01 1.02 1.29 42 A C C 43.79 11.10 15.34 27.09 108.17 96.22 -82.36 121.77 67.65 2.91 29.44 50.37 10.70 5.72 27.63 3.04 0.01 1.40 1.12 43 T C H 48.94 10.41 19.41 30.33 107.18 -126.03 -78.66 -29.52 52.20 3.17 44.63 40.04 6.74 5.40 42.95 2.21 0.01 1.60 1.04 44 C H H 23.25 19.67 17.36 35.89 94.65 -29.01 -66.14 -38.13 22.80 0.95 76.25 14.02 4.53 4.51 75.00 1.17 0.01 0.47 0.30 45 I H H 62.34 11.84 20.83 32.62 92.64 53.70 -65.02 -40.88 3.82 0.10 96.08 2.09 0.51 1.10 95.85 0.38 0.00 0.04 0.02 46 T H H 62.24 6.19 23.47 29.79 92.16 50.96 -65.31 -41.20 1.14 0.02 98.83 0.61 0.13 0.39 98.64 0.22 0.00 0.01 0.00 47 E H H 27.93 17.56 20.54 37.69 92.35 50.52 -64.89 -42.02 0.40 0.01 99.59 0.16 0.04 0.17 99.53 0.10 0.00 0.00 0.00 48 M H H 22.67 19.93 20.42 39.61 91.83 50.70 -63.76 -41.32 0.19 0.00 99.81 0.06 0.01 0.09 99.81 0.04 0.00 0.00 0.00 49 S H H 47.16 7.20 24.06 31.67 91.58 51.84 -63.57 -41.13 0.10 0.00 99.90 0.02 0.00 0.05 99.90 0.02 0.00 0.00 0.00 50 V H H 49.12 9.99 23.67 34.03 91.77 50.15 -64.61 -42.01 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.01 0.00 0.00 0.00 51 M H H 10.02 22.60 19.99 42.13 91.61 50.44 -63.86 -42.57 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 52 M H H 49.66 14.05 22.16 35.96 91.32 50.49 -63.32 -41.53 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 53 A H H 46.70 4.27 23.89 28.03 91.50 51.50 -63.66 -41.19 0.37 0.00 99.63 0.02 0.01 0.27 99.58 0.10 0.00 0.00 0.00 54 C H H 14.37 13.61 18.07 33.24 91.49 50.48 -64.51 -41.22 1.26 0.00 98.73 0.10 0.07 0.98 98.53 0.31 0.00 0.00 0.00 55 W H H 34.87 18.39 15.11 33.36 92.21 51.78 -65.03 -39.64 3.57 0.02 96.41 0.60 0.37 2.51 95.50 1.00 0.01 0.01 0.01 56 K H H 124.36 4.63 18.27 23.83 91.99 54.48 -65.32 -36.15 8.55 0.05 91.41 0.89 0.71 6.90 90.21 1.22 0.03 0.01 0.03 57 Q H H 117.73 2.87 17.66 20.60 95.93 46.42 -82.69 -19.06 20.81 0.08 79.11 1.61 2.10 17.19 77.64 1.34 0.04 0.03 0.06 58 N C T 60.15 11.44 12.71 24.76 103.02 34.04 -106.10 22.88 70.13 0.66 29.21 10.37 13.51 45.52 27.27 2.57 0.05 0.21 0.51 59 E C T 118.77 4.94 18.74 24.50 97.15 -123.90 55.83 37.65 89.93 0.75 9.32 28.11 10.30 52.34 5.02 3.45 0.00 0.36 0.42 60 F C C 56.50 17.83 12.64 29.75 95.45 -80.34 61.65 33.01 88.09 2.16 9.74 57.64 12.99 17.64 4.46 4.83 0.00 0.95 1.50 61 R C C 130.13 4.49 18.64 24.02 109.28 146.06 -90.73 108.62 92.25 1.53 6.22 74.64 10.35 7.23 3.36 2.65 0.00 0.66 1.12 62 D C H 67.08 12.56 12.40 25.02 98.83 -157.33 -74.63 -23.66 61.68 1.39 36.94 26.21 23.92 12.98 27.15 8.21 0.05 0.46 1.03 63 D H H 112.66 1.51 18.37 19.07 93.19 57.04 -65.27 -34.15 29.32 0.16 70.52 2.47 3.50 20.91 44.10 28.70 0.12 0.07 0.12 64 A H H 47.10 7.71 16.21 25.21 92.36 53.63 -69.90 -30.85 26.30 0.10 73.60 1.31 1.93 21.20 47.54 27.74 0.15 0.05 0.08 65 C H H 9.83 20.44 10.84 31.13 97.37 44.70 -94.26 -5.27 27.00 0.12 72.88 2.11 2.06 21.00 50.84 23.79 0.06 0.06 0.09 66 R H H 116.89 6.83 17.73 26.02 91.87 90.99 -59.94 -41.68 1.45 0.00 98.54 0.54 0.16 0.56 98.39 0.35 0.00 0.00 0.00 67 K H H 133.19 1.70 22.52 22.69 91.91 50.14 -64.62 -40.26 0.32 0.00 99.68 0.05 0.02 0.18 99.58 0.16 0.00 0.00 0.00 68 E H H 37.04 15.25 18.52 33.86 92.10 49.63 -65.41 -41.58 0.16 0.00 99.84 0.03 0.01 0.09 99.74 0.14 0.00 0.00 0.00 69 I H H 23.63 17.67 18.23 35.85 91.83 50.20 -63.30 -42.47 0.10 0.00 99.90 0.02 0.00 0.05 99.89 0.03 0.00 0.00 0.00 70 Q H H 100.08 2.84 24.76 26.73 91.56 50.41 -63.68 -41.50 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 71 G H H 21.52 7.27 21.67 30.09 91.65 50.74 -63.99 -41.56 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 72 F H H 15.26 20.87 17.99 38.73 91.80 50.20 -63.77 -42.72 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 73 L H H 67.28 9.83 22.40 32.40 91.29 50.10 -63.49 -41.38 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 74 D H H 84.43 2.37 25.30 26.23 91.58 49.89 -64.43 -41.41 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 75 C H H 16.93 14.14 19.76 34.93 91.72 49.94 -64.02 -42.82 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 76 A H H 17.57 15.77 19.07 35.17 91.53 49.98 -63.32 -42.09 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 77 A H H 55.32 3.14 23.25 25.69 91.42 50.55 -63.66 -41.73 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 78 R H H 117.09 4.22 22.74 26.91 91.97 49.11 -65.00 -41.39 0.19 0.00 99.81 0.01 0.01 0.12 99.83 0.03 0.00 0.00 0.00 79 A H H 14.86 15.33 16.38 32.63 91.96 50.87 -63.86 -41.58 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.04 0.00 0.00 0.00 80 Q H H 84.56 5.83 20.82 27.15 91.83 50.58 -64.22 -41.06 0.42 0.00 99.58 0.05 0.02 0.25 99.62 0.06 0.00 0.00 0.00 81 E H H 102.75 2.32 21.40 22.52 91.73 49.93 -64.78 -41.36 0.55 0.00 99.45 0.07 0.03 0.32 99.49 0.09 0.00 0.00 0.00 82 A H H 30.52 8.41 16.36 26.72 91.95 50.88 -64.54 -40.42 0.89 0.00 99.11 0.14 0.06 0.52 99.13 0.15 0.00 0.00 0.00 83 R H H 104.23 7.44 17.28 25.72 92.10 51.50 -64.84 -40.24 1.61 0.00 98.39 0.28 0.12 0.98 98.30 0.31 0.00 0.00 0.00 84 K H H 120.30 2.15 18.94 20.40 92.03 50.70 -65.03 -40.39 3.33 0.02 96.65 0.65 0.29 2.09 96.43 0.53 0.00 0.01 0.00 85 M H H 90.29 4.18 16.77 21.77 92.56 49.86 -66.23 -39.64 6.16 0.05 93.80 1.56 0.72 3.59 93.20 0.89 0.01 0.02 0.02 86 R H H 109.25 6.66 15.29 23.17 92.49 52.32 -65.43 -39.67 8.39 0.09 91.52 3.07 1.21 4.09 89.87 1.67 0.01 0.04 0.04 87 S H H 58.48 3.10 16.17 19.75 92.59 51.73 -65.46 -39.59 13.40 0.18 86.42 5.11 1.81 6.63 83.34 2.92 0.02 0.09 0.07 88 I H H 90.28 3.17 15.27 18.97 92.85 50.03 -67.26 -38.63 16.85 0.31 82.83 6.66 2.69 8.08 78.74 3.52 0.03 0.16 0.13 89 Q H H 83.88 6.30 12.34 20.26 93.48 53.47 -68.02 -35.16 21.86 0.48 77.66 10.57 3.85 8.56 72.83 3.72 0.03 0.24 0.21 90 E H H 120.38 3.52 12.74 17.60 94.02 56.80 -68.17 -32.88 30.09 0.62 69.29 14.69 4.94 11.59 63.18 4.99 0.03 0.32 0.26 91 T H H 102.65 1.62 13.07 14.87 95.67 51.16 -77.89 -24.03 38.31 0.91 60.78 15.62 6.79 17.33 54.21 5.12 0.06 0.44 0.43 92 L C H 107.40 3.64 10.87 15.94 100.63 51.77 -87.33 -4.54 57.07 1.03 41.89 17.85 15.11 25.29 36.19 4.45 0.08 0.39 0.63 93 G C C 49.74 2.87 12.76 16.84 112.00 -113.68 85.47 -169.64 90.51 0.75 8.74 36.84 20.83 33.45 4.35 3.75 0.00 0.33 0.45 94 E C C 137.34 3.54 11.63 16.85 109.53 -32.46 -89.02 109.75 91.51 1.60 6.90 55.37 19.24 16.94 2.02 4.74 0.00 0.79 0.89 95 S C C 76.34 4.13 11.50 17.51 118.80 155.85 -105.46 144.89 92.86 2.25 4.89 58.44 18.41 15.86 1.22 3.74 0.00 1.20 1.12 96 G C C 41.50 5.25 13.98 20.56 120.51 72.01 130.14 -175.74 93.06 3.70 3.24 53.32 26.00 13.73 0.62 2.83 0.00 2.12 1.37 97 S C C 76.58 5.05 15.73 22.18 117.03 -82.21 -101.52 133.52 92.04 6.03 1.94 63.11 24.89 4.16 0.56 1.41 0.00 3.00 2.87 98 L C C 35.88 18.03 9.68 26.88 116.87 -135.43 -92.31 133.55 93.63 5.81 0.56 79.41 12.94 0.54 0.34 0.21 0.00 1.92 4.64 99 L C C 79.99 3.63 19.00 22.81 116.63 -116.99 -71.32 152.69 99.28 0.35 0.37 98.65 0.70 0.09 0.29 0.03 0.00 0.10 0.15 100 P H H 77.64 8.97 12.73 22.97 91.55 -111.85 -57.66 -38.39 2.42 0.00 97.58 0.36 0.22 1.61 96.69 1.11 0.00 0.00 0.00 101 N H H 111.55 1.67 17.73 18.87 92.28 53.70 -64.75 -38.71 1.55 0.00 98.44 0.16 0.10 1.16 97.22 1.36 0.00 0.00 0.00 102 K H H 77.85 8.13 17.13 26.25 92.25 48.70 -66.09 -40.35 0.68 0.00 99.32 0.11 0.05 0.46 98.22 1.16 0.00 0.00 0.00 103 L H H 20.70 18.31 14.19 32.78 91.60 50.92 -63.02 -42.94 0.23 0.00 99.77 0.03 0.02 0.13 99.65 0.17 0.00 0.00 0.00 104 N H H 62.88 7.35 18.66 26.94 91.49 50.58 -63.73 -40.61 0.26 0.00 99.74 0.02 0.01 0.18 99.62 0.17 0.00 0.00 0.00 105 K H H 109.07 2.74 20.94 23.08 91.88 50.61 -64.49 -41.59 0.28 0.00 99.72 0.01 0.01 0.23 99.48 0.26 0.00 0.00 0.00 106 L H H 28.47 14.19 16.65 31.70 91.75 50.25 -63.91 -42.67 0.49 0.00 99.51 0.02 0.02 0.42 99.08 0.46 0.00 0.00 0.00 107 L H H 38.70 16.31 15.05 31.43 91.56 51.14 -66.00 -34.38 3.34 0.00 96.65 0.10 0.12 3.12 94.28 2.37 0.00 0.00 0.00 108 Q H H 119.96 3.30 17.75 21.77 91.54 56.02 -67.25 -28.21 30.13 0.02 69.85 0.37 0.63 30.45 64.35 4.16 0.01 0.00 0.01 109 R H H 132.73 4.94 17.10 22.72 93.79 54.28 -75.74 -24.45 46.84 0.05 53.10 1.02 2.97 42.80 49.26 3.83 0.04 0.02 0.05 110 F C S 62.12 13.65 12.41 26.40 108.68 38.13 -121.88 72.72 95.86 0.76 3.37 30.99 61.75 3.01 2.73 0.57 0.00 0.18 0.77 111 P C C 63.41 9.64 13.25 24.09 110.68 148.91 -70.35 140.53 97.45 0.79 1.75 58.52 12.36 26.64 0.46 1.20 0.00 0.41 0.40 112 N C C 110.73 4.52 14.52 20.63 106.61 -100.90 -86.35 92.69 97.95 1.07 0.97 51.00 22.29 24.64 0.17 0.87 0.00 0.53 0.50 113 K C C 100.37 9.34 11.19 21.69 116.70 -153.86 -84.14 138.58 98.25 1.24 0.51 82.56 14.37 1.39 0.14 0.35 0.00 0.64 0.56 114 P C C 96.94 3.98 12.57 18.06 106.96 -116.01 -71.52 137.89 96.97 1.73 1.30 82.51 9.56 4.89 0.26 1.09 0.00 1.18 0.51 115 Y C C 144.11 5.61 9.85 17.16 117.93 -136.30 -106.79 133.71 83.53 13.80 2.67 66.48 10.18 6.09 0.76 2.07 0.00 10.18 4.23 116 L C C 112.91 4.57 9.21 15.74 113.13 -157.62 -98.52 120.76 84.66 14.15 1.19 81.64 1.42 1.84 0.40 0.55 0.00 11.17 2.98 117 S C C 76.20 4.16 11.37 17.32 119.24 -163.70 -110.30 143.06 99.52 0.46 0.02 99.46 0.12 0.05 0.01 0.00 0.00 0.33 0.02