# 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 S C C 67.24 6.11 15.07 22.05 106.42 70.38 -84.68 66.11 99.60 0.09 0.31 99.33 0.18 0.20 0.21 0.02 0.00 0.04 0.03 1 A C C 66.94 6.56 12.26 19.90 99.12 83.04 -72.12 -26.73 56.44 1.09 42.47 46.12 2.14 8.61 37.04 5.02 0.00 0.59 0.49 2 K C H 126.42 4.22 14.55 20.01 97.94 61.06 -72.53 -29.91 49.58 1.91 48.51 30.17 9.29 11.59 40.74 6.44 0.03 1.03 0.72 3 A H H 44.68 11.46 12.97 24.92 100.08 54.15 -73.84 -26.60 44.12 2.16 53.72 29.23 8.25 8.34 45.30 6.93 0.02 1.23 0.70 4 C H H 63.18 9.50 15.56 25.58 102.77 53.40 -78.64 -7.80 44.14 2.43 53.43 30.84 7.74 7.23 46.83 5.22 0.02 1.38 0.74 5 T H H 65.77 7.35 17.23 25.26 103.97 62.19 -83.51 -16.68 41.39 3.08 55.54 28.74 7.48 7.08 49.14 4.83 0.03 1.83 0.88 6 R H H 103.76 10.29 17.06 27.60 98.38 51.73 -72.93 -27.99 34.38 3.78 61.84 21.35 7.54 8.32 54.01 5.32 0.08 2.36 1.02 7 S H H 32.76 14.20 14.36 28.50 97.32 58.34 -71.28 -35.19 36.38 4.85 58.78 23.18 6.77 9.09 50.55 5.84 0.08 3.21 1.27 8 S H H 65.73 6.84 16.90 24.43 95.20 58.34 -69.43 -33.09 38.62 4.79 56.59 22.33 7.34 11.50 46.68 7.52 0.12 3.16 1.35 9 R H H 137.43 5.93 17.43 24.26 94.45 59.54 -71.96 -23.51 42.82 4.75 52.42 15.19 9.92 20.08 41.00 8.69 0.50 2.90 1.74 10 A C T 34.30 14.70 15.03 29.56 96.29 52.83 -84.86 0.24 67.96 1.54 30.50 9.38 11.33 45.85 22.98 8.55 0.14 0.83 0.94 11 G C T 44.88 5.47 21.35 27.19 97.25 -107.57 82.90 8.02 91.90 1.48 6.61 18.58 15.95 57.87 2.99 3.14 0.00 0.93 0.53 12 L C C 23.17 20.79 12.77 33.05 115.06 128.53 -93.54 129.11 83.75 12.08 4.17 66.09 11.00 6.05 2.00 2.24 0.01 7.59 5.03 13 Q C C 107.04 6.74 22.71 29.92 112.78 -161.91 -103.52 113.67 83.14 13.88 2.98 58.62 20.67 3.85 1.99 1.26 0.01 8.98 4.62 14 F C C 30.34 20.41 15.44 35.25 121.26 143.69 -112.00 133.19 90.52 8.17 1.31 61.07 29.33 1.01 1.26 0.31 0.00 5.30 1.72 15 P C C 48.29 8.87 23.69 33.07 111.54 -106.88 -67.77 140.74 90.47 6.94 2.59 87.92 1.96 0.92 2.31 0.40 0.00 4.06 2.43 16 V H H 37.16 20.11 16.30 35.38 93.73 -119.42 -60.29 -37.66 16.23 0.22 83.55 3.82 2.29 10.44 79.83 3.32 0.07 0.11 0.12 17 G H H 32.01 6.52 22.05 29.21 92.28 56.77 -62.18 -38.70 11.06 0.14 88.81 1.97 1.33 7.90 85.61 3.00 0.05 0.07 0.06 18 R H H 90.80 9.52 22.81 32.32 92.38 51.61 -67.58 -38.83 3.80 0.12 96.08 1.57 0.60 1.85 93.63 2.24 0.01 0.08 0.03 19 V H H 2.87 25.67 17.14 43.17 91.39 52.25 -63.22 -43.79 1.43 0.06 98.51 0.59 0.21 0.69 97.83 0.63 0.01 0.04 0.01 20 H H H 56.33 14.51 21.57 35.57 91.44 51.12 -62.46 -41.99 1.13 0.04 98.83 0.37 0.15 0.61 98.33 0.51 0.01 0.03 0.01 21 R H H 118.47 2.99 24.65 26.79 91.57 50.36 -64.02 -42.44 1.29 0.05 98.66 0.30 0.16 0.81 98.17 0.52 0.01 0.03 0.01 22 L H H 17.64 15.06 18.23 34.35 91.83 49.65 -64.45 -42.14 1.83 0.07 98.10 0.46 0.25 1.14 97.44 0.64 0.01 0.04 0.01 23 L H H 15.80 21.80 14.81 36.07 92.09 50.18 -65.18 -39.57 3.91 0.10 95.99 0.78 0.41 2.74 94.63 1.32 0.03 0.06 0.02 24 R H H 146.08 4.84 18.76 24.72 92.15 51.79 -66.90 -33.57 11.91 0.11 87.98 0.90 0.93 10.15 86.65 1.22 0.06 0.05 0.05 25 K C T 135.28 2.30 18.50 20.40 94.79 45.58 -87.64 -6.74 54.12 0.21 45.67 1.73 3.91 46.99 45.45 1.62 0.07 0.08 0.15 26 G C T 35.41 10.90 14.41 25.68 103.20 -111.46 81.43 13.88 95.60 0.40 4.00 11.93 14.76 69.15 2.72 1.04 0.00 0.19 0.21 27 N C C 71.11 6.76 18.54 26.29 103.62 139.51 -99.01 69.43 89.93 1.20 8.86 74.22 8.92 6.56 6.88 2.07 0.00 0.51 0.84 28 Y H H 31.85 20.62 13.18 33.26 95.10 152.02 -70.87 -28.19 33.67 1.08 65.25 19.66 6.51 10.05 53.12 9.51 0.06 0.53 0.55 29 S H H 44.78 12.84 15.32 28.42 91.90 66.87 -63.38 -31.86 15.75 0.36 83.89 4.27 2.66 9.00 69.18 14.43 0.10 0.21 0.14 30 E H H 144.69 1.51 20.14 20.69 93.11 52.06 -72.18 -30.23 12.65 0.31 87.03 2.25 1.87 8.33 72.31 14.80 0.13 0.19 0.12 31 R H H 107.88 9.72 17.52 27.49 99.08 41.78 -84.43 -32.18 16.46 0.34 83.19 2.32 2.84 11.75 73.09 9.41 0.25 0.17 0.18 32 V H H 28.32 18.86 13.03 30.98 104.42 31.17 -103.48 -14.45 32.75 1.99 65.26 7.37 12.90 17.00 56.94 2.99 0.59 0.56 1.65 33 G C C 32.43 5.27 19.42 25.63 123.78 -133.00 83.89 -170.31 64.44 1.30 34.26 39.06 8.04 15.61 6.41 29.46 0.00 0.64 0.77 34 A C T 80.81 5.29 17.66 24.16 95.25 -40.73 -67.03 -13.05 58.07 0.29 41.64 1.75 5.14 50.71 5.13 36.85 0.01 0.15 0.26 35 G C T 28.59 11.12 19.39 30.82 93.75 54.79 -75.64 -8.87 52.78 0.19 47.02 3.74 4.12 43.89 10.15 37.82 0.01 0.10 0.17 36 A H H 8.70 20.80 17.38 38.49 92.91 98.35 -61.49 -41.33 7.10 0.04 92.87 4.89 1.31 1.38 91.42 0.97 0.00 0.01 0.01 37 P H H 28.67 18.72 21.84 39.49 91.88 53.62 -63.64 -39.45 1.40 0.01 98.59 0.41 0.13 0.72 98.18 0.55 0.00 0.00 0.00 38 V H H 61.80 9.40 26.66 36.23 91.96 50.56 -64.97 -41.68 0.27 0.00 99.73 0.05 0.02 0.14 99.51 0.28 0.00 0.00 0.00 39 Y H H 51.46 16.16 25.67 41.11 91.97 49.36 -64.99 -42.52 0.12 0.00 99.88 0.02 0.01 0.06 99.82 0.08 0.00 0.00 0.00 40 L H H 4.64 25.15 23.96 48.50 91.59 49.86 -64.17 -42.77 0.11 0.00 99.89 0.02 0.01 0.06 99.89 0.02 0.00 0.00 0.00 41 A H H 18.75 16.89 25.18 41.67 91.31 51.46 -62.92 -42.01 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 42 A H H 31.99 9.22 27.02 37.26 91.41 50.79 -63.85 -41.98 0.09 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 43 V H H 9.83 21.13 24.30 44.87 91.43 49.71 -64.68 -42.83 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 44 L H H 7.36 24.14 23.06 46.52 91.27 50.94 -63.56 -42.22 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 45 E H H 80.69 10.95 26.10 36.95 91.37 51.48 -63.21 -41.55 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 46 Y H H 76.78 10.82 25.95 36.95 91.79 49.35 -65.00 -41.73 0.09 0.00 99.91 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 47 L H H 8.36 22.37 22.58 44.43 91.42 49.32 -65.16 -42.41 0.17 0.00 99.83 0.01 0.00 0.12 99.84 0.02 0.00 0.00 0.00 48 T H H 19.27 19.70 22.85 41.57 91.58 51.15 -63.58 -41.86 0.32 0.00 99.68 0.03 0.01 0.21 99.70 0.04 0.00 0.00 0.00 49 A H H 40.29 7.45 25.09 33.11 91.49 51.58 -63.86 -41.67 0.29 0.00 99.71 0.02 0.01 0.20 99.69 0.07 0.00 0.00 0.00 50 E H H 61.06 11.07 24.79 35.98 91.74 49.55 -65.43 -41.17 0.41 0.00 99.59 0.04 0.02 0.29 99.54 0.11 0.00 0.00 0.00 51 I H H 5.70 24.11 20.31 44.24 91.39 50.12 -64.39 -43.21 0.49 0.00 99.51 0.07 0.03 0.31 99.44 0.14 0.00 0.00 0.00 52 L H H 44.50 15.58 22.47 37.35 91.58 50.63 -63.41 -41.68 0.92 0.01 99.07 0.15 0.06 0.60 98.85 0.33 0.00 0.01 0.00 53 E H H 108.44 3.89 26.03 29.93 91.75 50.21 -64.64 -40.77 3.41 0.03 96.56 0.43 0.24 2.56 96.03 0.72 0.01 0.02 0.01 54 L H H 33.06 14.70 21.55 36.27 92.16 48.88 -66.64 -39.45 8.08 0.08 91.85 1.14 0.77 5.98 90.88 1.14 0.02 0.04 0.03 55 A H H 12.63 20.05 18.01 37.56 92.81 52.61 -67.55 -35.94 19.30 0.35 80.35 4.05 2.62 12.93 77.74 2.24 0.08 0.17 0.17 56 G H H 29.97 10.02 20.84 30.79 96.74 54.11 -60.66 -38.71 39.00 0.96 60.04 9.05 5.64 25.35 54.46 4.43 0.13 0.50 0.44 57 N H H 90.70 5.38 21.49 26.91 98.03 45.24 -78.36 -18.57 43.34 2.77 53.89 15.63 8.93 20.78 44.53 7.22 0.17 1.86 0.88 58 A H H 32.51 11.86 15.79 28.49 97.61 67.67 -74.58 -26.03 42.68 7.28 50.04 20.67 8.73 15.62 39.38 8.48 0.23 5.25 1.64 59 A C H 35.96 12.22 12.98 25.88 101.75 64.44 -80.08 -11.03 47.59 10.82 41.58 27.26 8.13 13.93 32.94 7.36 0.18 7.83 2.37 60 R C H 144.97 4.38 14.09 19.75 102.90 93.98 -81.34 -6.28 54.06 10.69 35.24 25.07 11.65 18.77 27.80 6.36 0.54 7.00 2.82 61 D C T 108.00 2.67 13.32 16.76 100.76 42.23 -84.07 23.44 72.18 3.23 24.60 22.92 16.77 32.96 18.45 5.74 0.09 1.89 1.18 62 N C T 100.98 5.08 11.47 17.95 102.33 19.33 -81.72 37.33 82.27 1.13 16.60 26.46 19.54 36.66 10.45 5.74 0.01 0.52 0.63 63 K C C 140.41 4.11 12.87 18.27 98.20 129.16 -76.86 5.57 77.16 2.37 20.47 29.47 22.26 26.01 12.08 7.86 0.02 1.18 1.11 64 K C C 117.76 6.23 14.49 21.85 108.38 92.19 -90.06 97.74 68.86 7.96 23.18 35.87 18.16 15.37 14.49 8.52 0.08 5.01 2.51 65 T C C 59.29 11.88 14.82 26.97 111.37 99.27 -95.82 114.98 66.72 12.13 21.16 45.56 11.91 8.93 14.20 7.51 0.04 9.19 2.66 66 R C C 105.33 10.49 20.42 30.72 116.68 83.88 -100.10 135.01 64.21 17.27 18.52 41.16 15.70 7.27 13.47 5.81 0.06 12.99 3.52 67 I C C 21.84 21.53 15.93 36.93 112.68 -130.98 -92.29 119.56 64.42 21.62 13.96 47.89 11.89 3.61 11.44 3.40 0.04 12.12 9.60 68 I C C 49.17 11.34 22.88 34.41 120.33 -154.21 -94.38 147.74 82.24 2.28 15.48 73.41 6.13 1.31 16.68 0.65 0.00 1.25 0.57 69 P H H 44.84 15.99 17.43 33.01 93.12 -112.23 -58.46 -38.52 9.69 0.25 90.07 4.46 1.39 4.14 88.16 1.64 0.01 0.15 0.06 70 R H H 129.49 4.95 23.18 28.44 91.89 53.86 -63.97 -38.89 4.19 0.09 95.72 1.24 0.50 2.45 94.01 1.71 0.01 0.06 0.02 71 H H H 42.10 15.61 20.97 36.20 92.29 49.70 -66.09 -40.64 1.82 0.06 98.12 0.67 0.23 0.94 96.32 1.79 0.00 0.04 0.01 72 L H H 5.64 24.37 18.60 42.96 91.65 50.65 -64.28 -42.59 1.14 0.03 98.83 0.42 0.13 0.56 98.06 0.80 0.00 0.02 0.00 73 Q H H 67.91 11.79 23.64 35.08 91.43 51.59 -62.96 -41.80 1.22 0.04 98.74 0.33 0.12 0.72 98.28 0.52 0.00 0.03 0.00 74 L H H 50.32 7.02 24.34 32.15 91.53 50.35 -63.88 -42.51 1.32 0.05 98.63 0.29 0.14 0.84 98.08 0.61 0.00 0.04 0.00 75 A H H 7.22 17.81 18.77 37.49 91.75 50.41 -63.93 -42.41 1.79 0.07 98.14 0.43 0.19 1.10 97.34 0.88 0.00 0.04 0.01 76 I H H 21.68 19.47 17.80 36.87 92.71 47.91 -66.36 -39.67 3.59 0.06 96.35 0.50 0.32 2.66 94.93 1.52 0.02 0.04 0.01 77 R H H 134.42 5.68 20.91 27.14 92.37 51.39 -68.95 -30.68 11.71 0.06 88.23 0.61 0.78 10.25 87.15 1.13 0.04 0.02 0.03 78 N C H 88.70 5.75 18.17 24.48 100.32 36.60 -101.30 3.35 55.82 0.26 43.92 7.60 6.63 39.83 44.09 1.55 0.03 0.09 0.17 79 D C C 44.47 16.27 11.05 26.50 107.51 113.63 -87.48 102.11 68.93 0.52 30.55 60.12 5.18 2.71 30.13 1.38 0.00 0.16 0.33 80 E H H 134.64 2.16 18.23 20.75 93.46 -156.94 -64.59 -37.75 7.05 0.06 92.89 1.45 1.04 4.53 89.26 3.64 0.02 0.03 0.02 81 E H H 89.76 6.14 18.85 25.77 92.28 51.15 -65.66 -40.36 4.04 0.07 95.89 0.94 0.46 2.69 92.38 3.46 0.01 0.05 0.02 82 L H H 7.11 22.67 12.91 35.69 91.94 50.10 -64.68 -42.00 2.08 0.06 97.86 0.62 0.26 1.21 94.87 2.98 0.01 0.05 0.01 83 N H H 59.22 12.31 16.89 29.52 91.28 53.53 -63.35 -38.36 2.33 0.05 97.62 0.57 0.26 1.45 95.06 2.60 0.01 0.04 0.01 84 K H H 140.36 1.68 22.00 22.59 92.06 52.19 -65.98 -38.55 4.37 0.05 95.58 0.39 0.32 3.72 92.27 3.23 0.02 0.03 0.01 85 L H H 43.81 14.55 17.86 32.27 94.61 46.03 -72.48 -38.79 6.90 0.07 93.03 0.37 0.54 6.26 90.78 1.93 0.06 0.04 0.03 86 L H H 17.24 21.23 14.69 35.42 97.92 35.79 -92.91 -14.92 25.65 0.86 73.49 3.69 4.52 18.90 69.61 2.16 0.28 0.36 0.48 87 G C T 36.55 5.72 19.93 26.51 110.32 -146.16 70.77 -131.37 79.56 3.28 17.17 20.23 13.85 45.40 11.76 5.50 0.05 2.21 1.00 88 R C T 151.88 4.48 20.47 25.54 113.36 -7.86 -99.64 116.75 73.11 10.23 16.67 22.56 15.94 35.68 8.91 6.99 0.09 8.36 1.46 89 V C C 31.78 20.50 12.36 31.86 119.04 -168.43 -103.34 131.71 68.33 20.44 11.24 57.40 6.99 3.04 7.94 3.65 0.02 18.60 2.36 90 T E E 69.02 6.92 22.89 30.11 118.66 -162.51 -110.46 131.34 44.19 45.57 10.24 37.80 2.99 1.94 8.30 2.75 0.02 41.03 5.18 91 I E E 47.99 18.49 14.77 32.15 112.61 -155.52 -95.21 116.54 35.70 45.77 18.52 27.44 4.34 3.61 12.99 6.47 0.08 40.98 4.09 92 A C C 49.32 10.30 16.26 26.93 105.33 102.43 -85.22 -8.19 43.41 28.63 27.96 27.24 7.97 10.22 10.67 15.62 0.10 25.88 2.30 93 Q C T 124.73 4.52 17.36 22.54 106.12 5.23 -90.56 64.68 50.75 18.99 30.26 16.12 12.21 25.86 8.06 19.71 0.34 14.96 2.74 94 G C T 42.18 8.12 16.88 25.20 106.61 -11.51 86.03 2.98 70.38 6.10 23.52 16.33 17.04 38.34 5.29 16.97 0.08 4.22 1.74 95 G C C 29.87 12.40 16.76 28.81 113.40 -100.22 89.50 98.78 78.91 12.48 8.61 29.07 26.02 25.62 2.60 5.44 0.04 8.87 2.33 96 V C C 53.49 14.28 16.95 31.14 119.87 -84.43 -104.48 135.76 63.59 30.59 5.82 39.18 18.77 5.15 3.83 2.59 0.13 16.06 14.28 97 L C C 38.09 16.17 15.35 31.67 111.91 -127.94 -88.13 123.60 81.87 11.55 6.58 66.94 11.65 2.87 4.77 2.26 0.01 8.54 2.96 98 P C T 74.79 7.95 17.65 26.32 98.84 -129.91 -63.17 -28.31 63.58 5.91 30.51 17.80 8.74 36.13 20.28 11.01 0.14 4.59 1.31 99 N C T 100.20 5.88 19.22 25.53 96.42 42.68 -68.51 5.19 60.90 5.23 33.88 15.82 8.42 35.58 23.47 11.32 0.21 3.82 1.37 100 I H H 29.65 19.79 13.84 32.57 99.16 86.94 -84.57 -12.82 43.55 11.23 45.22 29.23 7.48 7.64 31.52 13.36 0.09 8.45 2.23 101 Q H H 83.02 12.40 18.16 30.08 95.60 76.77 -65.73 -35.18 28.52 11.93 59.55 18.84 4.69 6.04 38.16 20.51 0.09 10.31 1.37 102 A H H 49.35 9.92 17.97 28.36 94.82 57.81 -68.76 -27.65 20.07 11.06 68.87 10.33 3.85 6.59 37.89 30.19 0.13 10.15 0.88 103 V H H 56.60 12.88 18.32 30.88 96.62 54.79 -77.98 -24.20 23.98 12.81 63.21 10.14 4.71 9.58 34.82 28.15 0.26 11.14 1.20 104 L H H 46.77 16.57 17.31 32.90 99.09 52.85 -88.28 -11.16 36.06 15.33 48.61 14.11 8.87 14.86 26.64 20.69 0.88 11.05 2.90 105 L C S 51.60 14.53 15.74 30.31 115.37 90.94 -92.82 127.89 89.71 6.19 4.11 35.78 52.30 2.08 3.62 0.83 0.00 3.87 1.52 106 P C C 58.15 10.35 14.87 26.13 112.35 -112.22 -67.66 147.36 81.37 6.95 11.68 69.11 6.70 4.79 8.94 3.28 0.00 4.96 2.21 107 K C C 125.41 5.89 14.90 22.11 109.42 -111.79 -75.97 126.79 69.57 5.15 25.28 47.41 12.41 9.07 18.54 7.37 0.02 2.95 2.23 108 K C C 120.63 6.13 13.76 21.10 107.28 -111.05 -75.31 54.22 65.66 3.91 30.43 43.00 12.39 10.11 22.00 8.65 0.02 2.29 1.52 109 T C C 65.86 8.32 12.20 21.60 106.68 61.25 -84.11 30.38 61.23 2.90 35.86 41.69 10.69 8.93 27.14 8.77 0.01 1.64 1.13 110 E C H 110.98 5.46 13.65 20.34 97.83 56.68 -73.21 -29.03 54.64 1.81 43.55 34.44 10.83 9.83 34.71 8.49 0.02 0.93 0.75 111 S C H 61.53 4.98 13.77 19.89 100.13 61.40 -75.08 -28.54 52.99 1.35 45.66 31.73 10.10 11.68 36.24 8.95 0.02 0.68 0.59 112 H C H 95.25 7.76 12.75 21.63 98.58 56.75 -76.76 -24.78 50.86 1.52 47.63 28.67 11.02 12.06 38.34 8.46 0.03 0.75 0.67 113 H C H 93.99 8.00 12.17 21.31 100.11 64.95 -78.29 -18.21 54.03 1.91 44.06 33.88 10.68 10.11 36.87 6.65 0.02 0.96 0.83 114 K C C 128.70 3.59 13.67 18.33 100.66 66.90 -76.43 -21.25 57.06 2.79 40.16 38.28 9.53 9.43 34.92 5.14 0.02 1.45 1.23 115 A C C 63.73 5.75 10.51 17.68 101.20 63.89 -78.26 -12.90 64.30 2.57 33.14 42.21 10.05 11.78 28.33 5.11 0.01 1.35 1.16 116 K C C 134.96 4.18 9.89 15.69 104.13 71.52 -82.16 26.14 72.13 2.21 25.66 31.27 12.55 28.97 20.34 4.76 0.03 1.09 1.00 117 G C C 54.59 2.82 11.01 15.29 106.48 19.87 64.00 -1.18 87.27 0.77 11.97 49.67 5.15 33.24 8.84 2.29 0.00 0.40 0.40 118 K C C 145.32 2.98 12.07 16.55 106.58 70.71 -85.00 74.08 99.78 0.11 0.12 99.36 0.29 0.20 0.06 0.01 0.00 0.05 0.03