# 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 R C C 142.21 5.82 15.42 22.23 107.80 -143.19 -83.92 103.02 98.99 0.28 0.73 98.58 0.29 0.27 0.61 0.04 0.00 0.13 0.08 1 A C C 56.51 8.65 11.28 20.84 107.47 -120.63 -75.24 133.83 62.12 1.50 36.38 54.87 1.71 6.50 30.45 4.99 0.00 0.86 0.62 2 K C H 134.02 3.83 13.84 18.88 102.68 -95.58 -76.35 -17.14 53.72 2.25 44.03 34.99 8.99 10.59 35.92 7.41 0.02 1.27 0.82 3 A H H 54.91 9.69 11.32 21.71 105.16 -18.03 -77.05 64.98 48.49 2.30 49.21 31.69 8.82 9.10 39.81 8.45 0.02 1.32 0.78 4 K C H 123.21 5.79 14.57 21.61 104.38 88.44 -84.19 15.45 49.16 2.67 48.17 34.28 8.47 7.58 41.10 6.17 0.02 1.53 0.84 5 T C H 65.66 8.32 14.14 23.53 111.68 76.35 -90.94 120.82 51.13 3.85 45.01 36.82 7.91 7.28 39.39 5.09 0.02 2.36 1.12 6 R H H 115.81 9.31 15.23 25.10 104.01 -136.48 -83.56 1.14 45.08 4.96 49.96 30.11 8.79 8.23 43.15 5.20 0.06 3.02 1.44 7 S C H 41.33 11.99 13.05 25.45 106.25 63.03 -80.98 45.47 47.43 5.26 47.30 31.32 8.21 9.61 39.96 5.97 0.06 3.38 1.49 8 S C H 70.20 5.96 15.20 22.17 96.91 59.12 -72.82 -23.74 47.94 4.88 47.18 27.14 9.59 13.13 37.21 8.26 0.11 3.08 1.50 9 R C H 145.03 5.06 15.31 21.53 95.67 64.91 -74.26 -17.83 50.01 4.79 45.20 18.23 12.18 21.55 33.23 9.78 0.39 2.82 1.84 10 A C T 43.78 12.21 13.89 26.36 97.41 51.80 -85.23 1.53 69.53 1.82 28.65 11.93 13.36 43.49 19.70 9.39 0.10 0.97 1.06 11 G C T 46.96 4.85 19.28 24.74 97.95 -105.82 82.68 6.93 89.62 2.22 8.16 21.78 18.46 50.10 3.23 4.32 0.01 1.38 0.73 12 L C C 30.68 19.00 12.17 30.71 116.58 130.38 -94.24 132.27 81.87 13.26 4.87 64.31 11.03 5.91 2.34 2.66 0.00 8.84 4.91 13 Q C C 109.33 6.15 21.92 28.66 113.05 -158.94 -102.42 117.78 78.84 17.51 3.65 55.09 19.45 4.13 2.45 1.56 0.01 11.56 5.75 14 F C C 31.38 20.54 14.82 34.72 120.18 -160.01 -108.65 129.60 87.51 10.79 1.69 56.90 30.25 1.25 1.58 0.43 0.00 7.44 2.15 15 P C C 49.67 8.62 23.57 32.71 109.62 -114.42 -68.33 134.48 89.36 7.86 2.78 86.59 2.14 1.04 2.43 0.47 0.00 4.98 2.35 16 V H H 34.73 20.33 16.14 35.40 93.64 -129.25 -62.01 -37.06 15.20 0.31 84.49 6.43 2.49 6.97 81.77 2.02 0.03 0.15 0.14 17 G H H 31.30 6.28 21.74 28.72 92.07 56.41 -61.80 -40.78 7.99 0.14 91.87 2.19 1.14 4.86 89.88 1.78 0.03 0.07 0.05 18 R H H 96.21 8.32 22.85 31.25 92.22 51.05 -66.92 -39.14 2.87 0.10 97.03 1.22 0.44 1.38 95.46 1.40 0.01 0.07 0.02 19 V H H 3.62 24.86 16.88 41.99 91.63 51.19 -63.57 -43.47 1.19 0.05 98.77 0.46 0.16 0.59 98.23 0.52 0.00 0.03 0.00 20 H H H 57.52 14.13 21.11 34.87 91.47 51.08 -62.54 -41.97 0.99 0.03 98.98 0.30 0.11 0.53 98.65 0.37 0.00 0.02 0.00 21 R H H 120.82 2.71 24.22 25.86 91.60 50.52 -63.89 -42.38 1.22 0.03 98.74 0.27 0.14 0.76 98.40 0.40 0.01 0.02 0.00 22 L H H 22.10 13.49 17.97 32.76 91.85 49.67 -64.43 -41.88 1.67 0.05 98.28 0.39 0.20 1.06 97.74 0.56 0.01 0.03 0.01 23 L H H 18.58 20.67 13.79 34.02 92.11 50.82 -65.67 -38.92 3.29 0.07 96.63 0.64 0.33 2.30 95.46 1.20 0.02 0.04 0.02 24 R H H 151.52 4.16 17.93 23.21 91.84 52.20 -67.35 -32.12 10.86 0.08 89.06 0.76 0.77 9.33 87.90 1.13 0.05 0.04 0.04 25 K C T 140.68 1.91 17.45 18.86 95.19 48.43 -87.75 -6.67 56.80 0.15 43.05 1.36 3.30 50.50 43.11 1.52 0.04 0.05 0.12 26 G C T 37.85 8.60 14.18 23.68 105.31 -104.32 86.69 11.82 96.41 0.26 3.33 7.98 12.71 75.88 2.34 0.82 0.00 0.13 0.14 27 N C C 76.80 5.67 17.26 23.97 104.41 131.27 -97.70 78.83 91.66 0.92 7.42 75.97 9.10 6.61 5.09 2.14 0.00 0.39 0.70 28 Y H H 40.97 19.83 11.26 30.36 94.78 153.78 -70.04 -27.06 34.12 1.13 64.75 16.79 6.47 11.74 45.23 18.56 0.08 0.56 0.57 29 S H H 62.37 8.62 15.38 25.07 91.83 68.41 -64.17 -28.25 21.21 0.48 78.30 4.39 3.19 12.22 54.91 24.69 0.12 0.27 0.20 30 E H H 144.55 1.47 18.90 19.40 94.46 52.56 -77.27 -26.23 19.17 0.53 80.30 3.26 2.89 11.69 57.46 24.01 0.17 0.30 0.21 31 R H H 104.49 10.53 16.03 26.71 100.39 45.51 -89.88 -28.39 27.67 1.10 71.23 5.42 6.07 16.98 56.17 13.84 0.41 0.55 0.56 32 V C H 36.54 18.11 12.39 29.39 107.93 37.53 -104.70 4.82 51.02 7.10 41.88 17.22 21.34 15.53 33.98 3.92 0.70 1.83 5.48 33 G C C 33.67 5.30 18.77 24.89 125.66 -138.59 84.47 -171.62 74.56 2.38 23.06 45.24 12.98 15.63 7.20 16.30 0.01 1.05 1.59 34 A C T 87.04 3.44 16.73 21.37 95.21 -42.49 -67.16 -16.24 74.27 0.35 25.38 1.75 7.17 66.16 4.93 19.45 0.01 0.17 0.35 35 G C T 32.89 9.29 18.85 28.66 94.30 52.16 -75.51 -6.15 70.79 0.18 29.02 4.42 5.29 60.80 10.26 18.96 0.01 0.09 0.18 36 A H H 10.22 19.40 16.96 36.91 92.65 102.30 -61.25 -42.01 5.24 0.02 94.74 3.39 0.88 1.22 93.78 0.72 0.00 0.01 0.01 37 P H H 26.51 18.97 20.68 38.69 91.93 52.71 -63.71 -40.12 1.16 0.01 98.84 0.34 0.10 0.59 98.48 0.49 0.00 0.00 0.00 38 V H H 65.64 8.45 25.85 34.52 91.89 50.12 -64.79 -41.75 0.21 0.00 99.79 0.04 0.02 0.11 99.59 0.24 0.00 0.00 0.00 39 Y H H 66.52 13.46 25.57 38.68 91.83 49.21 -64.70 -42.58 0.11 0.00 99.89 0.02 0.01 0.06 99.85 0.06 0.00 0.00 0.00 40 L H H 7.40 24.15 23.24 46.65 91.49 49.89 -64.24 -42.84 0.11 0.00 99.89 0.02 0.01 0.07 99.89 0.02 0.00 0.00 0.00 41 A H H 17.49 17.11 24.11 40.82 91.22 51.39 -62.83 -42.00 0.07 0.00 99.93 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 42 A H H 36.93 7.71 26.72 35.35 91.41 50.77 -63.61 -42.10 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 43 V H H 15.72 18.90 24.10 42.57 91.46 49.74 -64.33 -42.86 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 44 L H H 7.49 24.00 22.25 45.57 91.38 50.69 -63.61 -41.99 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 45 E H H 81.35 11.01 25.21 36.05 91.36 51.53 -62.93 -41.47 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 46 Y H H 89.39 8.99 25.84 35.08 91.83 49.29 -64.91 -41.75 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 47 L H H 11.70 21.10 22.31 42.89 91.26 49.30 -64.88 -42.57 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 48 T H H 19.32 19.61 22.12 40.79 91.44 51.03 -63.50 -41.90 0.26 0.00 99.74 0.02 0.01 0.18 99.76 0.03 0.00 0.00 0.00 49 A H H 42.10 6.90 24.72 32.16 91.47 51.67 -63.84 -41.61 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 50 E H H 66.84 9.87 24.76 34.82 91.65 49.58 -65.25 -41.19 0.35 0.00 99.65 0.04 0.02 0.24 99.62 0.09 0.00 0.00 0.00 51 I H H 6.45 23.74 20.09 43.64 91.26 50.23 -63.86 -43.31 0.43 0.00 99.56 0.06 0.02 0.28 99.52 0.12 0.00 0.00 0.00 52 L H H 44.75 15.55 22.11 36.99 91.51 50.57 -63.23 -41.70 0.81 0.01 99.18 0.13 0.05 0.52 98.99 0.30 0.00 0.00 0.00 53 E H H 111.37 3.43 25.83 29.13 91.62 50.20 -64.42 -40.77 3.08 0.02 96.89 0.37 0.20 2.31 96.38 0.71 0.01 0.01 0.00 54 L H H 37.32 13.77 21.55 35.46 92.19 48.72 -66.68 -39.30 7.39 0.06 92.55 0.93 0.64 5.59 91.74 1.03 0.02 0.03 0.02 55 A H H 12.06 19.99 17.66 37.23 92.76 51.94 -67.48 -35.43 19.07 0.35 80.58 3.99 2.64 12.68 78.29 2.00 0.07 0.16 0.17 56 G H H 29.02 10.07 20.49 30.59 96.96 56.67 -59.34 -39.62 38.68 1.17 60.15 10.39 5.77 23.61 54.23 4.73 0.11 0.65 0.49 57 N H H 93.22 4.85 21.48 26.33 97.23 44.04 -78.72 -20.63 41.94 2.95 55.11 14.72 8.34 20.54 45.55 7.73 0.17 2.08 0.86 58 A H H 34.26 11.20 15.92 28.06 97.45 65.77 -74.32 -25.17 40.78 7.23 51.98 19.20 8.17 15.51 41.20 8.87 0.21 5.35 1.49 59 A C H 35.30 12.39 12.77 25.81 101.31 69.25 -79.92 -7.45 45.45 10.98 43.57 25.72 8.02 13.63 34.65 7.49 0.18 8.07 2.25 60 R C H 145.54 4.24 14.03 19.54 102.94 89.75 -81.52 -5.41 52.12 11.31 36.56 24.87 10.89 17.80 29.35 6.18 0.52 7.56 2.82 61 D C T 106.39 2.83 12.97 16.73 102.04 46.75 -83.45 26.92 70.96 3.83 25.21 24.43 16.27 30.64 19.52 5.46 0.09 2.31 1.28 62 N C T 102.82 4.74 11.28 17.47 102.40 16.29 -82.65 36.08 82.43 1.10 16.47 25.30 19.67 37.75 10.74 5.43 0.01 0.51 0.60 63 K C C 143.91 3.60 12.48 17.40 99.35 130.39 -76.17 7.99 79.21 2.22 18.57 29.76 22.39 27.56 11.07 7.07 0.02 1.12 1.02 64 K C C 119.06 5.87 13.76 20.91 109.53 100.50 -90.99 100.66 71.65 7.52 20.83 38.28 18.64 15.18 12.99 7.77 0.05 4.81 2.28 65 T C C 64.31 10.94 14.26 25.68 112.02 94.77 -96.90 115.10 68.69 12.47 18.83 46.39 12.98 9.04 12.76 6.60 0.03 9.73 2.47 66 R C C 112.34 9.20 20.10 29.42 118.01 74.25 -101.99 136.43 63.34 20.15 16.51 41.39 14.91 6.76 12.13 5.21 0.05 15.98 3.58 67 I C C 22.64 21.47 14.55 35.57 113.35 -130.37 -92.30 124.95 61.60 27.38 11.02 47.85 9.89 2.56 9.37 2.60 0.03 15.54 12.16 68 I C C 54.67 9.83 22.18 32.46 119.10 -157.10 -92.22 145.10 86.85 2.55 10.60 81.20 4.23 0.91 11.12 0.49 0.00 1.53 0.52 69 P H H 51.24 14.37 16.45 30.84 92.90 -116.65 -57.80 -38.29 9.30 0.28 90.42 4.14 1.25 4.23 88.08 2.02 0.01 0.20 0.06 70 R H H 137.06 3.85 22.42 26.43 91.92 53.98 -63.90 -38.05 4.40 0.11 95.49 1.23 0.50 2.64 93.29 2.22 0.01 0.09 0.02 71 H H H 44.76 15.13 20.05 34.95 92.32 49.89 -66.17 -40.57 2.00 0.09 97.91 0.74 0.25 1.03 95.51 2.38 0.00 0.07 0.01 72 L H H 7.20 23.78 17.76 41.52 91.71 50.88 -64.06 -42.39 1.33 0.11 98.56 0.53 0.16 0.64 97.47 1.07 0.00 0.10 0.01 73 Q H H 74.07 10.01 23.23 33.24 91.39 51.71 -63.23 -41.62 1.50 0.22 98.28 0.46 0.16 0.86 97.49 0.80 0.00 0.21 0.01 74 L H H 52.82 6.53 23.68 30.91 91.53 50.61 -63.90 -42.32 1.71 0.32 97.97 0.44 0.19 1.06 97.00 0.96 0.00 0.33 0.02 75 A H H 7.45 18.24 17.70 36.82 91.67 50.52 -64.03 -41.50 2.51 0.32 97.16 0.70 0.28 1.50 95.91 1.27 0.01 0.30 0.02 76 I H H 30.13 17.96 17.68 35.18 92.78 48.21 -67.53 -38.38 5.34 0.20 94.46 0.87 0.52 3.87 92.58 1.95 0.03 0.14 0.04 77 R H H 142.91 4.13 20.66 25.18 92.83 51.02 -69.65 -30.37 16.61 0.14 83.25 1.10 1.38 14.09 81.83 1.41 0.06 0.06 0.07 78 N C T 84.43 6.13 17.28 24.03 102.69 32.52 -107.62 17.18 69.70 0.38 29.92 17.57 7.91 42.65 29.74 1.75 0.01 0.13 0.23 79 D H H 53.99 15.97 11.48 26.36 98.85 150.51 -66.86 16.07 34.21 0.37 65.43 27.00 4.20 3.92 61.81 2.76 0.00 0.13 0.17 80 E H H 132.57 1.99 18.69 20.48 93.66 83.81 -65.14 -39.34 5.96 0.06 93.98 1.38 0.78 3.74 89.82 4.22 0.01 0.03 0.02 81 E H H 87.76 5.75 18.58 25.09 92.34 50.74 -66.02 -40.30 3.44 0.08 96.48 0.98 0.38 2.10 92.58 3.88 0.01 0.06 0.01 82 L H H 8.48 21.96 12.31 34.30 91.76 50.77 -64.19 -42.21 2.17 0.07 97.76 0.68 0.28 1.20 94.77 2.99 0.01 0.05 0.01 83 N H H 64.92 11.22 16.81 28.52 91.24 53.16 -63.72 -38.11 3.29 0.07 96.64 0.79 0.33 2.10 93.69 3.01 0.01 0.05 0.01 84 K H H 143.37 1.52 21.21 21.54 92.19 52.56 -66.31 -38.11 5.78 0.07 94.15 0.53 0.43 4.85 90.51 3.58 0.03 0.05 0.02 85 L H H 49.50 13.64 17.23 30.90 94.75 45.46 -72.14 -38.45 8.54 0.12 91.34 0.58 0.75 7.42 88.90 2.17 0.07 0.06 0.05 86 L H H 23.28 20.04 14.25 33.58 97.74 37.94 -92.09 -14.96 27.61 1.92 70.48 5.69 5.49 18.50 65.78 2.42 0.34 0.88 0.88 87 G C T 38.14 4.66 19.60 25.13 112.14 -143.41 72.18 -139.37 76.13 5.85 18.01 22.26 17.57 36.27 12.67 5.52 0.08 4.37 1.27 88 R C T 152.16 4.09 19.47 24.34 115.96 -8.33 -97.39 130.00 64.04 18.99 16.97 24.23 15.47 25.59 9.63 6.68 0.15 16.53 1.72 89 V C C 35.72 19.81 11.66 30.43 120.76 -169.28 -109.59 132.48 55.33 32.98 11.69 45.47 5.80 2.84 8.65 3.45 0.03 31.74 2.03 90 T E E 73.54 5.82 21.84 28.19 118.22 -164.00 -107.69 130.26 34.87 55.21 9.92 29.30 2.83 1.86 8.14 2.50 0.02 52.25 3.11 91 I E E 55.72 16.93 13.76 29.95 115.35 -156.73 -100.10 122.88 31.24 54.63 14.14 24.72 3.80 2.82 10.76 4.26 0.04 50.75 2.84 92 A C E 54.11 8.81 15.37 24.90 107.09 -140.75 -87.41 108.98 41.94 36.29 21.76 27.58 7.50 8.59 8.87 11.67 0.06 33.82 1.91 93 Q C T 130.24 3.51 16.30 20.65 107.61 -3.11 -88.66 90.82 52.40 24.66 22.94 17.31 12.89 25.72 6.27 14.58 0.25 20.47 2.51 94 G C T 45.22 6.40 15.91 23.05 108.36 -14.13 86.58 4.03 73.11 8.21 18.68 16.92 17.84 39.77 3.84 13.63 0.06 6.16 1.77 95 G C C 31.83 10.91 15.90 26.96 116.36 -52.99 101.80 33.95 75.89 17.24 6.87 28.71 25.02 24.05 1.57 4.80 0.03 13.55 2.27 96 V C C 60.94 12.71 16.13 29.10 120.62 -92.55 -106.17 135.29 59.66 36.39 3.95 37.37 17.25 4.77 2.33 2.20 0.12 23.06 12.90 97 L C C 42.74 15.12 13.93 29.47 111.94 -132.50 -91.71 121.40 77.79 18.52 3.69 62.73 11.60 2.85 2.18 1.78 0.00 15.56 3.29 98 P C T 80.08 6.73 16.63 24.32 99.91 -132.32 -64.58 -26.74 75.55 9.25 15.20 22.13 11.80 41.98 8.15 6.67 0.07 7.69 1.51 99 N C T 110.46 4.10 17.74 22.46 98.24 35.66 -77.72 17.32 72.43 8.96 18.61 19.43 12.29 41.17 10.24 7.94 0.12 7.17 1.64 100 I C C 40.42 18.71 11.16 28.64 111.30 107.57 -91.36 105.00 57.15 19.57 23.28 41.60 8.80 6.45 14.70 9.40 0.07 15.39 3.58 101 Q C C 109.33 6.32 18.52 25.63 105.61 92.58 -82.99 82.25 43.64 25.74 30.62 31.51 6.38 5.84 18.28 12.66 0.08 22.53 2.72 102 A H E 47.52 11.91 15.17 27.28 103.65 65.62 -80.55 -8.17 33.19 27.41 39.40 21.59 6.85 6.88 16.54 20.75 0.09 25.61 1.69 103 V H E 65.16 11.50 15.85 27.67 106.31 66.42 -90.62 50.96 31.89 30.73 37.39 20.58 6.50 7.25 15.01 20.01 0.09 28.81 1.74 104 L C E 74.68 11.28 15.84 27.34 104.86 76.53 -92.31 22.28 37.14 31.81 31.05 23.03 8.50 8.57 13.14 16.88 0.26 26.01 3.61 105 L C C 63.05 13.05 11.45 24.77 117.38 101.14 -99.09 132.06 75.10 23.67 1.22 47.06 27.27 1.83 0.58 0.70 0.00 19.99 2.57 106 P C C 77.28 6.30 12.52 20.43 112.85 -108.01 -66.56 148.43 86.95 12.40 0.65 83.77 1.56 1.36 0.27 0.27 0.00 11.48 1.30 107 K C C 152.23 3.40 13.68 18.92 109.14 -106.22 -74.36 131.42 99.83 0.14 0.03 99.70 0.13 0.07 0.01 0.00 0.00 0.08 0.01