# 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 E C C 104.13 6.64 12.32 20.26 107.13 -137.38 -81.70 98.72 99.84 0.01 0.14 99.75 0.06 0.08 0.10 0.00 0.00 0.00 0.00 1 E C H 122.91 3.15 11.44 15.90 98.65 66.74 -71.14 -33.69 52.03 0.24 47.74 45.26 0.86 5.76 46.11 1.80 0.00 0.09 0.12 2 D H H 100.23 1.96 12.32 14.88 95.40 55.48 -68.99 -35.82 30.20 0.21 69.59 17.07 4.10 9.25 66.92 2.46 0.00 0.08 0.11 3 L H H 68.41 8.48 11.92 21.70 94.09 52.48 -68.26 -36.27 16.85 0.14 83.01 9.56 2.63 5.15 79.97 2.57 0.00 0.06 0.06 4 T H H 52.35 8.60 13.57 23.63 93.14 53.16 -66.30 -39.87 9.39 0.08 90.54 6.05 1.37 2.30 88.80 1.43 0.00 0.03 0.03 5 E H H 108.16 2.44 18.30 20.38 92.85 51.28 -65.70 -40.72 4.72 0.04 95.24 2.54 0.72 1.58 94.33 0.79 0.00 0.02 0.01 6 V H H 59.30 6.12 18.03 25.30 92.32 49.60 -64.84 -42.15 2.64 0.01 97.35 1.17 0.35 1.04 96.97 0.45 0.00 0.01 0.00 7 K H H 46.37 16.71 17.01 33.30 91.92 50.39 -63.95 -41.83 1.71 0.01 98.28 0.62 0.19 0.78 98.03 0.38 0.00 0.00 0.00 8 K H H 79.74 11.04 19.74 30.97 91.65 51.25 -63.47 -41.33 1.62 0.00 98.37 0.46 0.17 0.83 98.26 0.28 0.00 0.00 0.00 9 D H H 78.22 2.59 23.65 24.97 91.73 49.76 -64.65 -40.69 1.53 0.00 98.46 0.39 0.15 0.80 98.44 0.21 0.00 0.00 0.00 10 A H H 15.72 12.42 19.28 33.22 91.75 50.72 -63.77 -42.91 0.96 0.00 99.04 0.21 0.09 0.49 99.00 0.21 0.00 0.00 0.00 11 L H H 6.95 23.70 15.51 39.26 91.76 49.81 -64.73 -40.99 1.04 0.00 98.96 0.20 0.07 0.59 98.69 0.44 0.00 0.00 0.00 12 E H H 98.28 8.23 20.19 28.91 91.73 51.96 -63.96 -38.71 1.96 0.00 98.04 0.16 0.11 1.46 97.43 0.83 0.00 0.00 0.00 13 N H H 110.66 2.03 21.98 23.18 92.10 49.44 -70.37 -30.06 12.39 0.00 87.61 0.23 0.43 12.14 86.04 1.14 0.01 0.00 0.00 14 L C T 35.82 15.68 16.12 32.15 98.93 39.36 -101.80 -5.04 61.18 0.02 38.79 2.84 1.67 54.87 38.98 1.61 0.00 0.00 0.02 15 R H H 46.09 20.90 15.19 35.12 92.36 98.90 -57.85 -44.06 1.38 0.00 98.62 0.34 0.12 0.69 97.78 1.06 0.00 0.00 0.00 16 V H H 77.97 5.78 21.87 28.11 91.71 51.98 -64.20 -39.88 0.47 0.00 99.53 0.05 0.03 0.32 97.96 1.63 0.00 0.00 0.00 17 Y H H 89.65 6.25 22.51 29.18 91.74 49.54 -65.09 -41.88 0.21 0.00 99.79 0.02 0.02 0.14 98.22 1.60 0.00 0.00 0.00 18 L H H 5.44 23.18 16.72 40.11 92.20 49.53 -64.58 -42.66 0.31 0.00 99.69 0.03 0.02 0.20 98.59 1.16 0.00 0.00 0.00 19 C H H 14.36 20.29 17.08 37.07 91.95 51.23 -65.94 -34.78 2.23 0.01 97.76 0.15 0.11 1.88 93.92 3.94 0.00 0.00 0.00 20 E H H 125.03 3.35 22.42 26.01 92.76 53.62 -71.81 -29.02 21.64 0.01 78.35 0.33 0.54 21.88 73.95 3.28 0.01 0.00 0.01 21 K H H 105.47 7.19 21.27 28.76 100.89 35.45 -103.50 -5.30 44.90 0.06 55.04 1.99 2.45 39.40 53.48 2.60 0.01 0.02 0.05 22 I C C 8.79 25.14 12.17 37.27 110.93 108.14 -79.00 122.62 93.05 1.90 5.05 79.16 11.19 1.82 4.97 0.58 0.00 0.52 1.76 23 I C C 65.57 7.66 25.46 33.38 109.17 -163.49 -108.22 99.03 96.12 0.96 2.92 94.82 0.89 0.86 2.22 0.32 0.00 0.33 0.57 24 A H H 10.47 23.35 13.95 37.14 93.70 -167.72 -62.17 -35.29 33.44 0.86 65.70 23.59 3.73 6.93 33.01 31.91 0.00 0.48 0.35 25 E H G 117.68 5.95 20.21 27.36 91.37 60.14 -65.27 -30.19 10.58 0.08 89.34 1.26 1.03 7.14 40.15 50.35 0.01 0.05 0.02 26 R H G 123.90 5.91 21.20 27.43 95.56 45.35 -83.28 -25.91 10.05 0.05 89.90 0.86 0.79 7.36 40.52 50.43 0.00 0.03 0.01 27 H H H 10.80 22.63 16.28 38.70 98.86 43.33 -92.47 -22.79 17.31 0.16 82.53 2.50 1.65 11.18 46.86 37.64 0.01 0.09 0.06 28 F H H 24.11 21.01 16.81 37.20 92.27 69.76 -61.70 -42.90 3.70 0.03 96.27 1.34 0.56 1.62 95.39 1.07 0.00 0.01 0.01 29 D H H 84.05 3.05 23.65 26.11 91.75 52.39 -63.59 -39.43 1.36 0.00 98.64 0.30 0.12 0.79 98.22 0.57 0.00 0.00 0.00 30 H H H 49.23 9.85 20.43 31.39 92.27 50.26 -65.35 -41.59 0.57 0.00 99.43 0.07 0.05 0.39 98.96 0.53 0.00 0.00 0.00 31 L H H 4.47 23.32 14.21 37.99 91.58 50.13 -64.75 -42.76 0.50 0.00 99.50 0.07 0.04 0.33 99.02 0.53 0.00 0.00 0.00 32 R H H 92.49 11.14 17.16 28.64 92.19 50.31 -64.16 -41.01 1.20 0.01 98.79 0.12 0.09 0.93 98.27 0.59 0.00 0.00 0.00 33 A H H 77.38 2.29 18.35 20.72 90.91 55.48 -64.51 -30.80 7.04 0.01 92.94 0.18 0.30 6.88 92.12 0.48 0.02 0.00 0.01 34 K C T 89.58 8.69 14.62 24.75 93.45 49.29 -90.14 4.00 90.88 0.02 9.10 0.29 2.19 87.83 9.27 0.39 0.00 0.00 0.02 35 K C T 153.29 2.83 19.10 22.88 93.28 -120.05 61.07 33.06 99.65 0.00 0.34 0.30 2.80 96.66 0.19 0.04 0.00 0.00 0.00 36 I C S 26.81 17.55 16.20 34.14 96.68 133.09 -84.48 -28.88 99.76 0.18 0.05 9.56 89.50 0.75 0.02 0.01 0.00 0.04 0.11 37 L C S 8.45 22.71 12.35 35.23 134.36 20.77 -136.97 152.04 99.54 0.43 0.03 13.51 85.92 0.17 0.01 0.00 0.00 0.07 0.31 38 S C C 52.34 3.63 21.68 24.75 124.34 -126.00 -84.98 169.12 99.90 0.08 0.03 99.55 0.35 0.03 0.01 0.00 0.00 0.02 0.04 39 R H H 155.92 4.74 15.18 21.89 91.17 -97.60 -59.07 -37.37 2.57 0.00 97.43 0.46 0.51 1.25 97.39 0.39 0.00 0.00 0.00 40 E H H 131.05 1.36 20.03 19.87 91.42 52.71 -64.26 -40.54 1.23 0.00 98.77 0.13 0.10 0.82 98.52 0.42 0.00 0.00 0.00 41 D H H 24.18 15.16 15.52 31.32 92.09 49.07 -66.05 -40.39 0.79 0.00 99.21 0.21 0.06 0.41 98.79 0.52 0.00 0.00 0.00 42 T H H 19.38 18.19 14.78 32.97 91.74 51.61 -63.16 -42.40 0.31 0.00 99.69 0.06 0.02 0.15 99.61 0.16 0.00 0.00 0.00 43 E H H 104.27 2.32 22.75 23.72 91.37 50.52 -63.87 -41.29 0.29 0.00 99.71 0.03 0.02 0.17 99.63 0.15 0.00 0.00 0.00 44 E H H 86.68 5.51 21.63 27.52 91.85 49.74 -64.97 -41.16 0.61 0.00 99.39 0.05 0.03 0.43 99.09 0.39 0.00 0.00 0.00 45 I H H 4.48 24.77 13.26 38.24 91.35 50.52 -65.58 -39.11 1.45 0.00 98.55 0.08 0.07 1.18 97.10 1.56 0.00 0.00 0.00 46 S H H 57.45 10.57 18.93 29.76 91.02 58.51 -68.49 -22.41 20.84 0.01 79.16 0.44 0.59 20.11 76.90 1.94 0.00 0.00 0.01 47 C C T 93.12 2.14 19.91 21.43 94.22 55.59 -85.52 -8.05 65.45 0.04 34.52 2.52 3.34 58.58 32.59 2.93 0.00 0.01 0.04 48 R C C 75.75 14.32 9.84 24.15 115.13 95.84 -83.00 133.37 98.50 0.16 1.34 82.47 14.05 1.84 1.17 0.22 0.00 0.04 0.22 49 T C C 108.40 2.21 16.56 19.64 100.15 -168.92 -92.40 -17.00 99.33 0.16 0.50 75.12 23.01 1.20 0.33 0.13 0.00 0.04 0.18 50 S C S 49.00 4.05 18.78 23.15 128.22 49.05 -114.96 160.04 98.24 0.64 1.12 32.56 64.85 0.73 1.03 0.11 0.00 0.10 0.61 51 S H H 45.55 15.52 14.29 29.37 92.67 -114.65 -60.53 -37.68 4.49 0.01 95.50 0.88 1.65 2.00 95.06 0.40 0.00 0.00 0.01 52 R H H 130.63 7.07 19.28 27.39 91.66 54.25 -62.77 -41.51 1.84 0.00 98.16 0.29 0.26 1.11 98.00 0.34 0.00 0.00 0.00 53 K H H 106.34 4.09 22.54 26.53 91.77 47.87 -65.92 -40.36 0.69 0.00 99.31 0.23 0.07 0.34 99.05 0.29 0.00 0.00 0.00 54 R H H 43.60 16.18 19.75 35.62 91.96 50.20 -64.24 -42.46 0.18 0.00 99.82 0.04 0.01 0.09 99.79 0.06 0.00 0.00 0.00 55 A H H 6.07 21.80 19.70 41.44 91.26 50.62 -63.38 -42.52 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 56 G H H 23.09 8.65 24.65 34.04 91.32 51.35 -63.63 -41.92 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 57 K H H 76.58 8.42 26.08 35.03 92.00 49.76 -65.43 -41.38 0.12 0.00 99.88 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 58 L H H 2.86 25.27 21.09 46.23 91.55 50.03 -63.39 -43.84 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 59 L H H 12.69 21.44 21.48 42.32 91.06 50.38 -63.16 -41.93 0.12 0.00 99.88 0.01 0.00 0.08 99.83 0.08 0.00 0.00 0.00 60 D H H 76.52 3.82 25.86 29.42 91.55 50.80 -64.29 -41.17 0.48 0.00 99.52 0.03 0.02 0.39 99.31 0.26 0.00 0.00 0.00 61 Y H H 44.07 13.01 20.96 34.56 92.03 49.59 -64.91 -41.71 1.34 0.00 98.66 0.08 0.06 1.10 98.02 0.74 0.00 0.00 0.00 62 L H H 4.90 24.81 14.33 39.37 91.73 51.15 -66.29 -35.76 5.39 0.01 94.60 0.61 0.43 3.98 92.87 2.11 0.00 0.01 0.00 63 Q H H 97.20 9.28 18.55 28.35 91.62 56.23 -68.19 -27.30 31.74 0.05 68.21 2.51 1.68 26.36 67.55 1.84 0.01 0.02 0.03 64 E C H 133.25 2.27 19.16 21.19 94.26 52.14 -80.18 -20.01 53.19 0.11 46.70 5.66 8.69 36.86 46.96 1.70 0.01 0.03 0.09 65 N C C 47.83 12.60 12.26 25.65 115.53 43.93 -124.79 106.37 99.22 0.14 0.63 71.43 26.73 1.05 0.43 0.18 0.00 0.04 0.15 66 P C T 88.03 6.50 16.28 24.35 94.26 -158.40 -64.80 -23.39 76.80 0.07 23.12 6.20 5.06 65.63 15.56 7.44 0.00 0.03 0.08 67 K C T 115.97 6.83 20.47 27.83 95.44 53.41 -82.70 1.38 69.74 0.09 30.18 5.61 3.54 60.13 24.86 5.75 0.00 0.03 0.08 68 G H H 3.72 20.27 16.18 37.20 92.87 106.12 -61.60 -40.60 17.73 0.08 82.19 9.92 2.30 5.70 77.51 4.50 0.00 0.03 0.04 69 L H H 19.35 21.31 19.69 40.09 92.00 53.00 -63.09 -41.85 1.50 0.00 98.50 0.46 0.14 0.64 98.40 0.36 0.00 0.00 0.00 70 D H H 79.14 5.62 26.41 32.51 91.71 51.06 -64.40 -41.19 0.24 0.00 99.76 0.05 0.01 0.12 99.67 0.16 0.00 0.00 0.00 71 T H H 31.86 11.56 23.99 36.06 91.86 49.71 -64.97 -42.23 0.09 0.00 99.91 0.01 0.00 0.05 99.85 0.08 0.00 0.00 0.00 72 L H H 2.75 25.85 20.77 46.57 91.57 49.88 -64.02 -43.46 0.05 0.00 99.94 0.00 0.00 0.03 99.93 0.03 0.00 0.00 0.00 73 V H H 17.84 17.82 22.63 40.20 91.21 49.85 -62.71 -42.93 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 74 E H H 91.60 3.90 27.06 30.76 91.59 50.18 -63.66 -41.85 0.13 0.00 99.87 0.00 0.00 0.10 99.84 0.05 0.00 0.00 0.00 75 S H H 9.07 15.26 20.21 36.70 91.64 51.03 -63.85 -42.75 0.45 0.00 99.55 0.02 0.02 0.37 99.33 0.26 0.00 0.00 0.00 76 I H H 6.68 22.43 16.49 39.21 92.02 49.55 -65.52 -40.17 1.54 0.00 98.46 0.07 0.06 1.31 97.66 0.90 0.00 0.00 0.00 77 R H H 115.22 8.74 18.79 28.02 91.86 53.78 -65.08 -35.87 11.78 0.01 88.21 0.45 0.42 10.84 86.98 1.29 0.01 0.00 0.00 78 R H H 149.08 3.14 18.60 22.21 92.57 52.93 -71.27 -25.64 29.19 0.03 70.78 1.02 1.78 25.97 69.96 1.22 0.02 0.01 0.02 79 E C S 69.73 12.06 12.28 24.77 103.91 67.71 -89.88 61.72 80.24 0.40 19.35 20.87 35.74 21.37 19.96 1.54 0.00 0.10 0.41 80 K C T 160.55 2.08 16.89 19.52 95.96 -129.38 -27.76 6.20 90.71 0.25 9.04 8.91 20.68 61.91 3.32 4.87 0.00 0.12 0.19 81 T C T 55.93 10.29 15.22 26.36 98.38 81.18 -90.92 -6.57 92.06 0.40 7.54 25.97 16.51 50.23 2.72 4.13 0.00 0.17 0.26 82 Q C C 31.34 19.35 12.20 30.74 97.08 85.08 -83.31 6.65 81.75 0.49 17.75 73.70 5.13 4.17 12.75 3.71 0.00 0.17 0.37 83 N H H 93.47 5.01 19.58 25.76 92.97 100.18 -63.64 -37.51 11.24 0.03 88.73 6.15 1.66 3.24 87.95 0.97 0.00 0.01 0.02 84 F H H 91.73 5.62 21.89 27.87 92.17 52.72 -65.09 -40.86 2.10 0.00 97.90 0.44 0.21 1.21 97.59 0.56 0.00 0.00 0.00 85 L H H 8.84 21.69 17.64 39.30 92.08 48.42 -65.23 -42.89 0.51 0.00 99.48 0.12 0.04 0.27 99.19 0.38 0.00 0.00 0.00 86 I H H 22.92 17.47 18.41 35.95 91.59 50.44 -62.85 -42.81 0.18 0.00 99.82 0.04 0.01 0.09 99.74 0.13 0.00 0.00 0.00 87 Q H H 104.23 2.50 24.30 25.70 91.62 50.06 -63.92 -41.88 0.18 0.00 99.82 0.03 0.01 0.10 99.80 0.07 0.00 0.00 0.00 88 K H H 78.76 8.46 21.75 30.64 91.93 48.88 -65.23 -41.34 0.31 0.00 99.69 0.03 0.01 0.21 99.68 0.07 0.00 0.00 0.00 89 I H H 6.55 23.27 16.63 40.01 91.93 48.41 -64.65 -42.41 0.50 0.00 99.50 0.05 0.03 0.32 99.52 0.08 0.00 0.00 0.00 90 T H H 47.99 11.08 20.13 31.56 91.70 50.29 -63.12 -41.71 0.65 0.00 99.35 0.10 0.05 0.37 99.42 0.07 0.00 0.00 0.00 91 D H H 86.92 1.93 23.55 23.54 91.84 49.13 -65.04 -40.98 0.64 0.00 99.35 0.09 0.04 0.37 99.43 0.07 0.00 0.00 0.00 92 E H H 52.42 9.74 19.74 30.56 92.25 49.95 -65.30 -41.61 0.35 0.00 99.65 0.05 0.02 0.19 99.68 0.06 0.00 0.00 0.00 93 V H H 17.04 18.22 15.90 34.40 91.89 49.62 -64.07 -42.34 0.29 0.00 99.71 0.04 0.02 0.15 99.73 0.06 0.00 0.00 0.00 94 L H H 81.40 4.26 20.61 25.16 91.48 50.67 -63.70 -41.09 0.31 0.00 99.69 0.05 0.02 0.17 99.72 0.05 0.00 0.00 0.00 95 K H H 116.53 2.07 21.63 22.34 91.92 49.82 -65.14 -41.15 0.50 0.00 99.50 0.07 0.03 0.28 99.55 0.07 0.00 0.00 0.00 96 L H H 35.13 12.01 16.53 29.85 92.13 49.10 -65.38 -41.31 0.76 0.00 99.24 0.12 0.06 0.42 99.29 0.10 0.00 0.00 0.00 97 R H H 87.67 11.03 16.79 28.29 91.87 51.36 -63.84 -41.05 1.23 0.00 98.77 0.24 0.11 0.66 98.83 0.15 0.00 0.00 0.00 98 N H H 89.63 2.15 19.05 20.45 91.91 50.58 -64.50 -40.27 3.21 0.01 96.78 0.72 0.28 1.84 96.85 0.31 0.00 0.00 0.00 99 I H H 80.90 3.32 17.29 21.08 92.13 50.45 -65.42 -41.32 3.66 0.02 96.32 1.26 0.48 1.82 95.67 0.74 0.00 0.01 0.01 100 K H H 73.51 8.76 14.21 24.25 92.55 50.70 -65.71 -40.40 4.69 0.03 95.28 1.79 0.58 2.32 93.85 1.43 0.00 0.01 0.01 101 L H H 75.25 5.33 13.19 20.13 92.41 50.41 -65.65 -38.77 5.89 0.05 94.06 2.03 0.74 3.11 90.57 3.49 0.00 0.02 0.02 102 E H H 125.70 1.48 13.99 15.25 92.52 52.56 -66.18 -36.98 10.82 0.07 89.11 2.48 1.12 6.91 83.06 6.35 0.01 0.03 0.03 103 H H H 127.70 2.65 12.00 15.70 93.46 52.41 -71.41 -27.92 31.93 0.12 67.94 4.21 2.19 24.97 63.26 5.23 0.02 0.05 0.08 104 L C H 91.31 6.34 8.73 16.44 97.38 55.48 -82.98 -10.09 55.32 0.20 44.48 25.90 1.55 27.34 42.08 2.90 0.00 0.08 0.15 105 K C C 152.16 2.59 12.99 16.98 100.60 87.87 -61.36 48.71 99.97 0.01 0.02 99.88 0.05 0.05 0.01 0.00 0.00 0.00 0.00