# 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 95.02 7.79 11.53 20.42 109.72 -126.09 -82.74 124.38 99.91 0.03 0.06 99.84 0.06 0.05 0.04 0.00 0.00 0.01 0.01 1 K C C 127.91 3.18 11.06 15.59 105.79 -153.59 -77.59 19.99 65.48 0.62 33.90 60.68 1.00 4.28 31.93 1.56 0.00 0.24 0.31 2 K H H 142.35 2.00 11.18 14.08 96.19 35.04 -67.85 -35.13 34.22 0.43 65.36 22.30 5.47 7.27 61.37 3.22 0.00 0.18 0.19 3 K H H 118.27 3.67 12.24 17.26 95.15 53.76 -68.68 -35.14 24.03 0.26 75.71 14.19 4.06 6.45 71.58 3.50 0.00 0.12 0.10 4 Q H H 80.50 7.77 12.65 21.73 94.50 54.79 -68.12 -37.36 17.09 0.21 82.69 11.41 2.49 3.93 79.26 2.73 0.00 0.10 0.08 5 I H H 87.36 4.03 15.24 20.24 93.27 53.55 -66.18 -40.73 8.46 0.10 91.44 5.65 1.30 1.87 90.00 1.10 0.00 0.04 0.03 6 E H H 105.17 2.94 18.39 21.30 92.81 50.43 -65.63 -40.42 5.65 0.07 94.28 3.64 0.73 1.48 93.33 0.77 0.00 0.03 0.02 7 F H H 45.42 14.35 15.65 30.42 92.37 50.37 -65.32 -41.39 4.16 0.05 95.79 2.45 0.52 1.26 95.17 0.58 0.00 0.02 0.01 8 E H H 65.88 12.18 17.65 30.14 91.69 51.96 -63.30 -41.46 2.13 0.01 97.86 1.09 0.25 0.72 97.65 0.28 0.00 0.00 0.00 9 N H H 89.49 2.44 22.85 24.05 91.67 50.03 -64.60 -40.79 1.53 0.01 98.46 0.66 0.16 0.60 98.39 0.18 0.00 0.00 0.00 10 E H H 63.61 9.73 20.80 31.17 91.85 49.93 -64.71 -41.95 1.01 0.00 98.99 0.34 0.09 0.47 98.96 0.13 0.00 0.00 0.00 11 L H H 9.97 22.83 17.13 39.81 91.69 50.30 -63.86 -42.33 0.46 0.00 99.53 0.12 0.03 0.22 99.55 0.07 0.00 0.00 0.00 12 R H H 111.21 8.49 22.55 31.29 91.43 51.29 -63.06 -41.19 0.34 0.00 99.66 0.07 0.02 0.18 99.69 0.04 0.00 0.00 0.00 13 S H H 56.34 3.79 24.44 27.81 91.59 50.15 -64.59 -41.28 0.34 0.00 99.66 0.06 0.02 0.19 99.70 0.04 0.00 0.00 0.00 14 M H H 16.13 19.90 20.25 39.80 91.67 49.78 -64.16 -42.82 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 15 L H H 19.99 20.35 20.19 39.95 91.15 49.94 -63.03 -42.31 0.14 0.00 99.86 0.01 0.00 0.09 99.84 0.06 0.00 0.00 0.00 16 A H H 58.98 4.08 25.36 29.15 91.63 50.81 -63.87 -41.28 0.39 0.00 99.61 0.03 0.02 0.31 99.41 0.24 0.00 0.00 0.00 17 T H H 37.90 10.75 22.16 33.58 91.94 50.19 -65.54 -40.21 1.35 0.00 98.65 0.04 0.05 1.26 97.87 0.78 0.00 0.00 0.00 18 A H H 5.14 23.88 16.06 40.08 91.25 53.20 -68.27 -29.21 10.92 0.01 89.07 0.26 0.38 10.55 87.81 0.99 0.01 0.00 0.01 19 L C T 64.69 12.74 19.35 32.36 95.49 55.90 -89.47 -3.29 61.15 0.14 38.71 3.57 4.49 51.07 38.57 2.12 0.01 0.04 0.13 20 E C C 74.48 9.91 14.19 25.70 113.51 110.93 -72.87 133.71 96.66 0.59 2.75 73.59 20.15 2.54 1.63 1.12 0.00 0.14 0.83 21 K C T 165.78 1.85 15.29 18.23 92.90 -137.24 -67.09 -22.34 98.04 0.09 1.87 1.61 13.90 82.83 0.34 1.23 0.00 0.04 0.06 22 D C T 113.65 1.89 17.16 19.14 95.04 60.39 -87.02 1.76 98.65 0.09 1.26 4.37 11.19 83.10 0.18 1.06 0.00 0.05 0.04 23 I C C 16.53 22.63 7.07 27.84 116.99 111.15 -79.94 137.45 98.81 0.71 0.48 57.08 41.19 0.44 0.30 0.12 0.00 0.13 0.74 24 S C C 48.52 4.90 18.66 24.30 119.10 -114.32 -70.74 160.30 99.71 0.13 0.17 99.32 0.38 0.09 0.10 0.01 0.00 0.03 0.08 25 Q H H 129.10 3.13 16.72 21.34 91.02 -107.86 -58.63 -37.45 1.92 0.00 98.08 0.29 0.28 1.10 97.91 0.41 0.00 0.00 0.00 26 E H H 99.75 5.42 19.62 25.80 91.68 54.01 -63.79 -40.44 0.92 0.00 99.08 0.08 0.06 0.66 98.76 0.44 0.00 0.00 0.00 27 E H H 12.98 21.67 15.65 37.21 91.74 49.29 -65.17 -41.40 0.35 0.00 99.65 0.04 0.02 0.23 99.33 0.38 0.00 0.00 0.00 28 R H H 68.01 15.10 19.78 34.33 91.58 51.61 -62.78 -42.38 0.10 0.00 99.90 0.01 0.00 0.06 99.87 0.06 0.00 0.00 0.00 29 N H H 89.49 2.58 26.67 28.17 91.59 49.95 -64.03 -41.47 0.15 0.00 99.85 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 30 A H H 11.35 16.29 21.95 38.65 91.42 49.88 -63.40 -43.09 0.11 0.00 99.89 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 31 L H H 2.72 26.00 19.61 45.78 91.34 49.72 -63.70 -42.33 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 32 N H H 65.62 8.10 25.93 34.49 91.45 51.06 -63.57 -42.16 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 33 I H H 70.79 5.33 26.62 32.44 91.57 49.48 -64.32 -41.97 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 34 A H H 2.93 22.81 19.12 42.38 91.32 50.44 -63.58 -43.14 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 35 E H H 44.98 16.42 22.07 37.65 91.35 51.65 -62.16 -42.43 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 36 K H H 115.16 2.24 25.87 26.63 91.66 49.99 -64.03 -41.40 0.20 0.00 99.80 0.01 0.01 0.15 99.79 0.05 0.00 0.00 0.00 37 A H H 19.13 9.44 18.43 30.05 91.59 50.21 -64.15 -41.15 0.94 0.00 99.06 0.06 0.04 0.72 99.01 0.17 0.00 0.00 0.00 38 L H H 14.65 20.42 12.99 33.17 92.13 50.67 -64.88 -40.95 3.97 0.01 96.02 0.47 0.32 2.97 95.45 0.76 0.01 0.00 0.01 39 D H H 92.69 5.54 16.87 23.77 91.47 52.45 -66.75 -28.98 12.13 0.03 87.84 0.73 0.81 10.42 87.22 0.77 0.02 0.01 0.02 40 N C T 113.61 1.76 16.23 17.64 95.58 49.39 -90.27 2.54 82.55 0.03 17.42 0.94 3.70 76.46 17.98 0.88 0.00 0.01 0.03 41 S C T 84.91 3.73 14.74 20.00 96.90 -106.11 68.55 23.45 98.46 0.03 1.52 6.01 4.88 87.67 1.17 0.23 0.00 0.01 0.02 42 E C C 88.30 8.81 12.46 22.78 116.09 157.97 -81.36 140.87 99.28 0.27 0.45 88.95 9.06 1.24 0.24 0.16 0.00 0.08 0.28 43 Y C C 120.74 6.42 18.98 26.22 106.12 -119.02 -84.95 109.38 99.19 0.32 0.49 96.37 2.36 0.55 0.24 0.10 0.00 0.08 0.29 44 L H H 29.00 20.81 14.14 34.35 94.39 -165.84 -64.60 -39.35 4.01 0.01 95.98 1.83 0.60 1.28 95.97 0.33 0.00 0.00 0.00 45 P H H 59.51 10.89 19.72 30.80 91.73 54.78 -62.86 -40.51 1.35 0.00 98.65 0.21 0.09 0.82 98.60 0.28 0.00 0.00 0.00 46 K H H 113.22 2.97 24.24 26.51 91.87 49.22 -65.95 -40.27 0.34 0.00 99.66 0.06 0.02 0.19 99.53 0.20 0.00 0.00 0.00 47 I H H 12.21 18.16 18.81 37.50 91.55 49.87 -64.06 -43.72 0.09 0.00 99.91 0.01 0.00 0.04 99.89 0.04 0.00 0.00 0.00 48 I H H 7.83 23.10 18.95 41.86 91.18 49.76 -63.18 -43.33 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.02 0.00 0.00 0.00 49 L H H 72.29 5.55 23.99 29.83 91.34 50.74 -63.28 -41.78 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.01 0.00 0.00 0.00 50 N H H 66.94 6.24 24.00 30.56 91.70 50.02 -64.72 -41.50 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 51 L H H 3.98 24.57 17.97 42.71 91.37 50.07 -63.88 -43.04 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 52 R H H 77.16 16.79 20.58 35.92 91.19 51.67 -61.70 -41.58 0.17 0.00 99.83 0.01 0.00 0.12 99.80 0.07 0.00 0.00 0.00 53 K H H 131.95 1.95 24.76 25.54 91.89 49.85 -65.66 -39.03 1.24 0.00 98.76 0.02 0.02 1.24 98.42 0.30 0.00 0.00 0.00 54 A H H 36.79 10.82 21.01 32.27 92.44 47.67 -70.57 -34.35 10.86 0.00 89.14 0.08 0.15 11.59 87.64 0.53 0.00 0.00 0.00 55 L H H 3.44 25.28 14.68 40.59 96.24 45.55 -89.89 -17.99 24.40 0.01 75.59 0.60 0.91 22.74 74.54 1.18 0.01 0.00 0.01 56 T H H 53.28 12.77 18.98 31.93 92.15 83.09 -58.32 -43.36 3.02 0.00 96.97 0.96 0.32 1.39 95.98 1.34 0.00 0.00 0.00 57 P H H 73.83 2.55 23.36 24.72 91.43 50.74 -64.09 -40.42 1.16 0.00 98.83 0.13 0.09 0.85 97.40 1.53 0.00 0.00 0.00 58 L H H 25.52 12.55 17.83 31.75 91.88 49.51 -65.80 -40.75 0.57 0.00 99.42 0.08 0.05 0.39 97.91 1.56 0.00 0.00 0.00 59 A H H 10.67 18.79 13.05 32.05 92.16 52.14 -63.77 -41.34 1.08 0.01 98.91 0.17 0.10 0.72 97.92 1.07 0.01 0.00 0.00 60 I H H 106.09 4.63 17.70 23.24 91.55 50.30 -66.48 -33.13 7.76 0.03 92.21 0.36 0.46 7.04 91.03 1.03 0.04 0.01 0.02 61 N C T 103.18 2.30 16.47 18.78 93.56 51.85 -87.64 0.26 66.94 0.07 33.00 0.94 3.99 60.41 33.59 0.96 0.01 0.02 0.07 62 R C T 156.41 6.30 13.98 22.11 94.49 -117.02 63.53 28.22 97.57 0.07 2.36 1.61 14.33 82.04 1.58 0.34 0.00 0.03 0.07 63 T C C 89.79 3.62 18.68 22.93 100.30 124.07 -95.87 6.04 99.46 0.38 0.17 45.93 45.46 8.10 0.06 0.09 0.00 0.14 0.22 64 L C C 20.20 22.72 8.77 29.69 120.53 97.93 -92.83 143.25 98.42 1.49 0.09 58.43 39.30 0.30 0.04 0.03 0.00 0.24 1.65 65 N C C 60.54 6.65 18.42 26.17 119.57 -111.74 -72.44 160.50 99.81 0.14 0.04 99.06 0.74 0.03 0.02 0.00 0.00 0.03 0.10 66 H H H 142.94 2.69 17.94 21.68 91.27 -101.96 -59.76 -36.91 3.68 0.00 96.32 0.28 0.54 2.65 96.02 0.50 0.00 0.00 0.00 67 D H H 74.29 7.07 19.95 27.65 92.03 53.87 -64.77 -39.51 3.07 0.00 96.93 0.18 0.22 2.54 96.42 0.62 0.00 0.00 0.00 68 L H H 8.15 22.51 15.45 38.08 92.24 49.67 -65.38 -41.52 0.99 0.00 99.01 0.10 0.06 0.69 98.66 0.48 0.00 0.00 0.00 69 S H H 26.98 12.19 19.77 32.76 91.55 52.76 -62.50 -41.81 0.24 0.00 99.76 0.04 0.01 0.12 99.72 0.10 0.00 0.00 0.00 70 E H H 100.34 3.26 25.08 27.63 91.71 50.52 -64.17 -41.45 0.19 0.00 99.81 0.01 0.01 0.12 99.81 0.05 0.00 0.00 0.00 71 L H H 13.88 18.60 20.47 39.14 91.59 50.26 -63.76 -43.66 0.13 0.00 99.87 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 72 Y H H 20.71 21.76 19.63 40.70 91.44 50.35 -62.92 -42.49 0.17 0.00 99.83 0.01 0.00 0.11 99.81 0.07 0.00 0.00 0.00 73 K H H 105.79 5.93 23.63 29.89 91.67 50.70 -64.13 -40.56 0.54 0.00 99.46 0.04 0.02 0.41 99.34 0.19 0.00 0.00 0.00 74 F H H 87.28 8.12 22.45 30.86 91.94 49.82 -65.54 -40.78 1.97 0.00 98.03 0.11 0.10 1.64 97.76 0.39 0.00 0.00 0.00 75 I H H 11.05 22.44 17.52 39.54 92.77 49.07 -67.88 -39.48 6.30 0.02 93.68 0.61 0.64 4.68 93.43 0.61 0.01 0.01 0.01 76 T H H 37.82 14.69 18.61 33.07 96.58 47.82 -79.97 -28.39 27.46 0.37 72.16 7.14 5.43 15.26 70.38 1.39 0.05 0.12 0.23 77 S C H 61.92 5.41 19.85 25.51 98.23 62.27 -76.14 -21.25 50.61 0.71 48.68 20.80 10.45 20.10 44.63 3.30 0.03 0.26 0.42 78 S C H 48.13 10.20 15.48 26.30 98.35 73.00 -75.41 -15.01 53.21 0.75 46.04 19.96 13.68 21.31 37.11 7.13 0.04 0.29 0.48 79 K C H 101.96 8.50 17.03 26.05 96.87 58.82 -73.40 -17.12 53.14 0.97 45.90 24.61 10.97 18.93 33.97 10.45 0.04 0.41 0.62 80 A C H 41.30 12.36 13.84 26.56 95.88 61.96 -72.14 -26.70 54.37 1.53 44.10 26.88 10.57 17.90 29.71 13.27 0.05 0.69 0.94 81 S C C 59.71 7.87 14.63 23.40 98.70 61.81 -78.33 -15.27 61.98 1.69 36.33 25.01 13.68 24.50 22.89 12.04 0.06 0.73 1.10 82 N C C 96.80 5.58 14.44 21.16 101.44 59.01 -88.50 19.89 70.78 1.61 27.61 30.38 17.70 23.75 16.67 9.74 0.03 0.66 1.07 83 K C S 114.76 6.92 13.15 21.23 105.92 106.63 -85.99 58.99 76.79 1.07 22.14 26.99 28.05 22.39 15.77 5.62 0.02 0.40 0.77 84 N C C 99.86 5.26 14.76 21.15 102.71 -103.88 -71.37 41.02 75.65 1.16 23.19 33.35 19.15 23.84 16.74 5.67 0.01 0.45 0.77 85 L C H 86.46 7.64 14.58 23.20 96.32 107.39 -70.51 -31.10 55.72 1.71 42.57 19.33 11.87 26.43 33.44 7.03 0.12 0.75 1.00 86 G H H 27.74 10.19 14.98 25.97 95.34 49.04 -62.59 -36.22 47.56 1.20 51.24 15.42 9.36 24.79 42.02 7.03 0.14 0.56 0.68 87 G H H 31.52 7.84 15.37 24.41 94.36 59.91 -65.58 -40.04 26.83 0.64 72.53 9.31 6.01 13.12 62.66 8.15 0.11 0.33 0.31 88 G H H 35.05 5.82 16.19 23.19 94.41 51.91 -65.02 -41.45 19.35 0.57 80.08 6.91 3.82 9.93 70.11 8.56 0.10 0.34 0.22 89 L H H 84.04 5.96 15.95 23.00 93.31 48.63 -67.12 -39.04 11.70 0.61 87.69 4.21 2.07 6.02 77.11 9.91 0.07 0.46 0.15 90 I H H 75.97 8.04 14.05 23.31 93.34 50.98 -67.17 -37.71 9.40 0.59 90.02 3.15 1.58 5.03 78.35 11.24 0.06 0.47 0.12 91 M H H 101.01 5.62 14.02 20.87 93.40 50.76 -69.06 -33.41 12.78 0.52 86.70 3.30 1.89 7.60 73.18 13.41 0.08 0.39 0.14 92 S H H 71.29 3.66 13.78 18.61 94.77 52.07 -72.94 -28.36 23.36 0.66 75.98 4.27 3.34 15.76 64.72 11.00 0.23 0.42 0.27 93 W H H 161.08 3.98 12.35 17.59 99.78 45.61 -90.46 -4.06 39.58 1.56 58.86 8.26 8.65 24.67 49.13 7.29 0.40 0.76 0.84 94 G C C 42.35 6.40 10.20 18.02 107.73 80.81 -83.04 102.39 71.34 2.58 26.07 29.42 16.31 26.94 18.45 6.41 0.05 1.18 1.25 95 R C C 159.87 3.15 10.38 15.26 109.35 -148.47 -91.37 103.83 80.44 3.47 16.09 40.06 19.34 22.15 7.42 7.76 0.01 1.82 1.44 96 L C C 123.21 2.98 9.58 14.27 106.25 -121.19 -85.28 67.04 88.87 2.57 8.57 73.12 3.50 13.26 3.19 4.20 0.00 1.60 1.14 97 F C C 128.86 6.02 10.55 18.11 110.16 134.46 -95.83 104.47 99.88 0.11 0.02 99.81 0.09 0.04 0.00 0.00 0.00 0.05 0.02