# 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 108.16 6.27 12.63 20.12 113.56 -151.91 -86.78 131.50 99.93 0.03 0.04 99.85 0.07 0.04 0.02 0.00 0.00 0.01 0.01 1 A C C 65.19 5.93 9.77 17.20 110.69 -131.13 -76.94 144.27 88.48 1.10 10.43 85.37 0.74 3.35 8.36 1.15 0.00 0.48 0.55 2 K C C 146.75 2.43 10.78 14.61 106.70 -121.06 -80.51 100.82 80.84 2.29 16.87 63.10 10.27 6.64 14.78 3.04 0.00 1.10 1.08 3 K C C 129.05 4.12 10.52 16.27 108.47 -122.17 -84.51 105.15 72.01 2.90 25.09 54.70 9.94 6.50 22.22 3.97 0.00 1.50 1.17 4 T C C 76.74 6.11 11.05 18.60 107.28 -151.21 -87.41 78.10 70.36 1.94 27.71 54.48 8.52 6.17 25.53 3.58 0.00 0.98 0.75 5 K C H 121.73 5.68 12.31 19.35 103.09 58.72 -78.64 -7.99 54.42 1.15 44.43 38.19 9.03 7.14 40.87 3.77 0.00 0.53 0.45 6 S H H 67.19 4.62 13.66 19.46 101.93 73.15 -75.96 -23.55 44.06 0.76 55.17 27.62 8.10 9.01 50.35 4.25 0.01 0.36 0.30 7 K H H 113.87 6.43 15.45 22.72 99.45 52.13 -75.23 -24.01 35.26 0.74 64.00 21.80 6.73 8.05 58.55 4.22 0.01 0.35 0.29 8 V H H 53.85 13.65 13.32 26.86 99.18 59.71 -76.18 -25.00 27.44 0.59 71.98 17.20 5.40 6.12 67.88 2.92 0.01 0.26 0.22 9 D H H 83.42 5.31 18.14 24.02 96.15 69.75 -71.23 -35.59 26.19 0.43 73.38 17.05 4.46 5.07 71.34 1.73 0.00 0.18 0.16 10 T H H 64.73 6.14 20.35 26.78 98.47 50.73 -70.87 -39.79 21.22 0.39 78.39 13.65 3.35 4.65 76.66 1.37 0.00 0.17 0.14 11 I H H 14.46 21.81 16.76 37.93 92.96 49.21 -64.90 -42.87 5.65 0.07 94.28 2.58 1.01 2.30 93.33 0.71 0.01 0.03 0.03 12 N H H 51.37 14.96 19.75 34.10 91.75 52.15 -62.70 -41.85 3.47 0.03 96.49 1.39 0.51 1.59 95.96 0.52 0.01 0.01 0.01 13 A H H 57.04 2.81 23.96 25.64 91.50 50.23 -64.35 -41.67 3.22 0.03 96.76 0.97 0.42 1.78 96.37 0.44 0.01 0.01 0.01 14 K H H 60.93 12.83 21.54 34.18 91.91 49.69 -65.37 -41.57 1.51 0.01 98.48 0.43 0.18 0.83 98.34 0.21 0.00 0.00 0.00 15 L H H 3.04 26.15 16.41 43.00 91.25 50.49 -63.71 -42.20 0.49 0.00 99.51 0.12 0.04 0.25 99.49 0.08 0.00 0.00 0.00 16 Q H H 86.27 7.87 22.72 31.00 91.12 52.72 -62.28 -41.28 0.30 0.00 99.70 0.07 0.02 0.16 99.69 0.07 0.00 0.00 0.00 17 L H H 78.09 3.64 23.39 26.60 91.60 50.64 -64.00 -42.23 0.34 0.00 99.66 0.06 0.02 0.21 99.60 0.10 0.00 0.00 0.00 18 V H H 11.13 18.88 16.35 35.72 92.03 49.48 -64.43 -42.48 0.59 0.02 99.40 0.10 0.04 0.37 99.29 0.19 0.00 0.00 0.00 19 M H H 51.31 17.67 15.43 32.25 91.93 50.57 -64.40 -39.69 1.76 0.02 98.22 0.24 0.12 1.30 97.65 0.67 0.01 0.01 0.00 20 K H H 156.52 1.42 19.57 20.33 91.39 52.76 -66.80 -30.26 7.98 0.03 91.99 0.37 0.38 7.19 91.38 0.62 0.02 0.01 0.01 21 S H H 65.96 4.60 17.03 22.37 93.70 48.38 -84.64 -9.86 39.56 0.07 60.36 1.04 2.64 34.62 60.72 0.88 0.03 0.02 0.05 22 G C T 33.82 10.12 16.79 27.37 99.51 -105.61 82.98 8.71 99.14 0.63 0.23 7.50 38.12 53.56 0.05 0.13 0.00 0.58 0.07 23 K C E 92.32 10.40 21.20 31.56 113.48 105.33 -103.57 72.79 55.86 43.98 0.16 44.73 8.90 0.58 0.02 0.14 0.00 45.17 0.46 24 Y E E 35.26 21.78 17.39 38.36 127.40 78.70 -118.44 141.69 6.75 93.17 0.08 6.10 0.69 0.07 0.04 0.04 0.00 92.26 0.79 25 V E E 23.57 16.31 23.27 39.69 121.18 -160.08 -117.00 130.95 5.12 94.87 0.02 5.35 0.12 0.01 0.01 0.01 0.00 93.77 0.73 26 L E E 51.36 16.56 22.97 38.42 119.78 -156.73 -108.59 130.71 24.32 75.65 0.02 20.45 3.18 0.08 0.01 0.02 0.00 75.72 0.54 27 G C S 15.65 10.62 25.27 37.02 122.96 19.53 95.39 153.12 95.03 2.38 2.60 18.37 74.44 2.22 2.93 0.26 0.00 1.17 0.61 28 T H H 26.56 21.56 16.58 37.19 92.02 -92.93 -61.01 -39.46 1.79 0.00 98.20 0.18 0.35 1.11 98.07 0.29 0.00 0.00 0.00 29 Q H H 118.98 3.68 23.66 27.95 91.51 51.79 -63.35 -41.43 0.80 0.00 99.20 0.06 0.07 0.59 98.99 0.29 0.00 0.00 0.00 30 Q H H 82.70 6.61 23.90 30.67 91.91 47.75 -66.32 -40.01 0.32 0.00 99.68 0.03 0.02 0.21 99.45 0.29 0.00 0.00 0.00 31 A H H 1.49 26.31 16.56 43.62 91.14 50.90 -63.53 -43.60 0.13 0.00 99.87 0.01 0.01 0.07 99.85 0.05 0.00 0.00 0.00 32 L H H 26.50 18.35 21.72 39.35 91.27 50.00 -63.25 -42.54 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 33 T H H 68.55 2.81 25.88 27.57 91.41 49.89 -63.81 -42.36 0.06 0.00 99.94 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 34 T H H 18.74 13.01 19.97 34.19 91.57 49.65 -64.33 -42.46 0.10 0.00 99.90 0.01 0.00 0.08 99.84 0.07 0.00 0.00 0.00 35 L H H 5.31 25.03 14.46 39.62 91.36 49.80 -63.70 -42.87 0.24 0.00 99.76 0.01 0.01 0.20 99.56 0.22 0.00 0.00 0.00 36 R H H 130.38 7.90 19.19 28.01 91.18 51.30 -64.42 -33.86 2.53 0.00 97.47 0.03 0.04 2.61 97.07 0.25 0.00 0.00 0.00 37 Q C T 120.28 2.17 19.88 21.37 92.13 52.34 -83.55 -5.95 76.28 0.01 23.71 0.15 0.68 75.26 23.49 0.41 0.00 0.00 0.01 38 G C T 38.88 10.63 15.37 26.52 95.18 -111.96 79.66 11.96 99.80 0.00 0.19 0.43 1.60 97.87 0.07 0.03 0.00 0.00 0.00 39 R C C 127.70 5.52 21.73 27.95 95.08 123.38 -83.97 -17.00 99.66 0.29 0.05 54.47 44.38 0.84 0.01 0.04 0.00 0.10 0.15 40 S C C 5.74 24.50 13.16 37.48 123.73 63.32 -108.83 142.43 94.00 5.97 0.03 86.97 6.51 0.32 0.00 0.04 0.00 5.88 0.27 41 K C S 88.42 9.93 26.49 37.42 100.21 -170.73 -97.91 -25.04 92.68 7.31 0.01 13.71 78.77 0.19 0.00 0.00 0.00 7.25 0.08 42 L E E 11.16 21.26 26.25 46.73 134.22 20.60 -142.36 142.15 1.71 98.29 0.00 1.24 0.39 0.01 0.00 0.00 0.00 98.32 0.04 43 V E E 1.16 26.98 27.02 53.84 121.01 -163.16 -118.26 127.72 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 44 V E E 1.76 25.87 29.21 54.46 117.39 -162.44 -110.49 124.57 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 45 I E E 4.80 24.42 26.94 50.22 127.76 -173.87 -121.51 143.11 0.15 99.85 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.01 46 A E E 4.77 22.32 20.82 43.46 114.71 -117.20 -74.90 142.94 23.77 76.21 0.01 23.07 0.50 0.03 0.00 0.01 0.00 76.14 0.24 47 N C T 69.84 11.40 22.18 33.84 94.15 -124.85 -66.32 -25.29 91.35 8.30 0.35 3.43 23.30 65.19 0.01 0.40 0.00 7.34 0.33 48 N C T 96.54 5.12 22.61 28.50 95.34 55.56 -92.16 12.46 98.13 1.61 0.26 6.88 29.46 61.81 0.01 0.33 0.00 1.35 0.16 49 C C S 10.84 23.51 9.00 31.44 118.14 123.45 -76.32 144.11 98.30 1.59 0.11 48.25 50.06 0.18 0.05 0.03 0.00 0.44 0.99 50 P C C 59.76 4.50 18.51 23.84 114.38 -102.63 -63.55 148.04 99.87 0.06 0.08 99.56 0.30 0.04 0.05 0.00 0.00 0.01 0.03 51 P H H 99.37 3.70 14.11 19.63 91.61 -111.53 -57.33 -37.82 4.24 0.01 95.75 0.71 0.53 2.74 94.03 1.98 0.00 0.00 0.00 52 I H H 119.44 1.61 17.49 18.47 91.70 54.06 -64.36 -38.86 2.67 0.01 97.32 0.39 0.26 1.88 94.85 2.60 0.00 0.00 0.00 53 R H H 65.88 14.51 15.41 29.81 92.51 48.28 -68.05 -38.57 1.57 0.02 98.41 0.45 0.18 0.86 95.76 2.73 0.00 0.01 0.00 54 R H H 72.90 16.74 15.80 31.67 91.59 53.79 -61.80 -42.45 0.97 0.01 99.02 0.28 0.11 0.47 98.59 0.55 0.00 0.00 0.00 55 A H H 59.73 2.34 23.19 24.07 91.46 51.21 -63.58 -41.32 1.56 0.00 98.44 0.19 0.10 1.08 98.02 0.61 0.00 0.00 0.00 56 E H H 75.72 7.47 22.30 30.20 91.60 49.88 -64.78 -41.17 1.50 0.00 98.49 0.18 0.09 1.09 98.26 0.38 0.00 0.00 0.00 57 V H H 2.02 26.48 15.57 42.71 91.29 49.84 -64.36 -42.62 0.25 0.00 99.75 0.05 0.02 0.12 99.77 0.05 0.00 0.00 0.00 58 E H H 80.61 12.11 21.61 33.24 91.35 52.12 -62.06 -42.00 0.10 0.00 99.90 0.01 0.00 0.05 99.91 0.02 0.00 0.00 0.00 59 Y H H 131.92 1.98 24.89 24.81 91.61 49.76 -63.68 -42.30 0.12 0.00 99.87 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 60 Y H H 41.74 14.15 20.18 34.73 92.18 48.90 -64.94 -42.52 0.14 0.00 99.86 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 61 C H H 5.60 22.77 13.75 36.63 91.69 50.37 -63.69 -42.24 0.46 0.00 99.54 0.04 0.02 0.34 99.46 0.15 0.00 0.00 0.00 62 T H H 88.32 3.49 19.83 23.95 92.09 49.35 -64.73 -40.22 1.70 0.00 98.30 0.08 0.08 1.45 97.97 0.43 0.00 0.00 0.00 63 L H H 108.29 3.20 19.13 22.53 91.98 50.49 -66.77 -34.94 6.15 0.00 93.84 0.18 0.31 5.47 93.62 0.42 0.00 0.00 0.00 64 S H H 28.15 14.99 14.00 29.36 94.90 45.39 -88.48 -2.32 45.68 0.08 54.24 1.73 4.77 37.20 55.31 0.87 0.02 0.02 0.07 65 K C T 162.71 1.65 20.75 22.16 93.71 -124.97 59.00 38.45 99.74 0.04 0.23 15.16 4.44 80.21 0.09 0.06 0.00 0.02 0.01 66 T C C 15.86 21.55 11.98 33.07 122.38 144.42 -105.28 141.62 99.50 0.49 0.01 93.36 6.09 0.12 0.00 0.01 0.00 0.37 0.05 67 P C C 62.77 6.38 25.23 32.15 113.24 -107.11 -69.01 143.04 90.45 9.54 0.01 88.57 1.42 0.08 0.00 0.01 0.00 9.78 0.15 68 I E E 35.56 23.15 14.66 37.07 123.48 -155.07 -118.64 132.79 6.07 93.93 0.00 6.01 0.18 0.01 0.00 0.00 0.00 93.01 0.79 69 H E E 57.60 12.81 23.45 36.21 122.03 -167.61 -115.67 131.24 0.65 99.35 0.00 0.61 0.02 0.00 0.00 0.00 0.00 99.32 0.05 70 H E E 90.98 13.04 21.76 34.33 117.44 -149.06 -98.48 128.44 2.75 97.24 0.00 2.62 0.08 0.01 0.00 0.00 0.00 97.17 0.13 71 Y E E 36.37 19.88 13.88 33.22 121.32 -167.00 -110.93 135.51 49.84 50.07 0.10 46.88 1.51 0.20 0.02 0.06 0.00 50.69 0.63 72 S C C 79.85 3.44 21.59 25.08 100.42 -156.11 -95.65 11.00 86.18 13.39 0.43 48.44 29.43 7.75 0.06 0.40 0.00 13.31 0.61 73 G C S 31.48 11.61 17.60 28.84 108.54 -82.66 90.07 3.92 95.41 3.72 0.88 15.10 71.14 9.49 0.17 0.59 0.00 2.87 0.65 74 N C C 77.02 5.93 22.53 28.53 123.65 89.45 -100.38 151.63 94.96 1.89 3.15 73.26 19.56 2.00 2.60 0.68 0.00 0.72 1.18 75 N H H 40.78 20.71 14.53 34.19 93.18 -122.61 -62.19 -34.94 9.58 0.07 90.35 2.29 2.98 4.52 88.93 1.19 0.02 0.02 0.04 76 L H H 91.86 6.39 21.42 28.32 92.39 54.86 -65.32 -40.75 5.00 0.05 94.95 0.90 0.78 3.25 93.83 1.17 0.02 0.02 0.02 77 D H H 68.49 5.36 23.09 28.54 92.52 48.86 -65.99 -39.94 2.90 0.06 97.03 0.85 0.44 1.67 95.60 1.38 0.01 0.04 0.01 78 L H H 5.66 23.05 16.01 39.28 91.97 51.42 -63.81 -43.17 1.18 0.02 98.79 0.24 0.17 0.72 98.01 0.85 0.00 0.01 0.00 79 G H H 8.45 15.80 16.91 33.60 91.53 51.14 -62.42 -42.48 1.86 0.02 98.11 0.35 0.21 1.23 97.13 1.07 0.00 0.01 0.00 80 T H H 91.43 2.18 22.12 23.45 92.26 49.91 -65.83 -40.77 2.38 0.02 97.60 0.32 0.23 1.74 95.95 1.73 0.01 0.01 0.00 81 A H H 43.22 11.52 17.71 29.63 92.10 52.75 -66.49 -34.61 6.43 0.04 93.53 0.30 0.45 5.71 91.98 1.50 0.02 0.01 0.01 82 C C T 23.95 18.11 14.25 32.23 94.53 42.94 -89.09 -6.25 54.81 0.08 45.11 0.67 2.07 51.70 43.58 1.86 0.03 0.03 0.07 83 G C T 58.78 1.52 20.47 20.94 94.35 -113.41 78.10 15.31 99.24 0.04 0.73 3.35 4.84 91.25 0.32 0.20 0.00 0.02 0.02 84 K C C 69.81 12.22 10.90 23.84 128.62 119.32 -114.76 155.49 98.43 0.86 0.71 59.41 36.11 2.80 0.20 0.48 0.00 0.28 0.72 85 H C C 150.91 2.16 17.75 20.36 96.39 -137.32 -82.76 -9.75 96.54 1.28 2.19 47.49 41.73 7.05 0.29 2.16 0.00 0.58 0.71 86 F C S 84.57 9.45 17.99 28.31 130.67 62.16 -121.19 156.75 93.74 2.78 3.48 29.34 53.94 10.18 0.34 3.57 0.00 1.80 0.84 87 R C C 104.11 11.64 22.48 33.70 112.25 -98.46 -74.65 133.77 87.44 9.53 3.03 57.65 22.05 7.25 0.37 3.26 0.00 7.95 1.47 88 T C C 12.43 23.06 18.94 41.56 119.63 -149.61 -106.84 133.44 64.42 35.01 0.57 58.94 4.64 0.61 0.17 0.43 0.00 32.11 3.09 89 C C E 21.85 18.01 25.30 42.76 100.51 -178.82 -96.10 -27.31 63.21 36.62 0.16 33.48 29.95 0.66 0.02 0.11 0.00 35.34 0.44 90 V E E 16.33 19.54 26.77 46.01 133.86 19.76 -141.73 141.40 6.85 93.02 0.13 5.72 0.89 0.10 0.03 0.05 0.00 93.01 0.19 91 L E E 4.70 25.83 24.51 49.75 126.01 -167.64 -125.66 136.24 1.31 98.60 0.09 1.17 0.07 0.01 0.05 0.01 0.00 98.64 0.04 92 S E E 14.19 17.95 27.89 45.27 123.24 -163.08 -116.29 135.16 0.89 99.03 0.08 0.77 0.03 0.01 0.06 0.01 0.00 99.10 0.02 93 V E E 8.91 23.16 19.99 43.14 114.37 -155.06 -102.74 121.79 2.79 97.14 0.07 2.67 0.08 0.02 0.06 0.01 0.00 96.95 0.21 94 T E E 54.74 10.78 22.70 33.53 100.95 -171.23 -93.34 -26.10 42.57 57.07 0.37 24.68 17.43 1.36 0.11 0.22 0.00 55.62 0.57 95 N C S 80.40 6.39 22.14 29.01 118.64 23.86 -133.13 113.06 80.17 18.70 1.13 28.95 45.52 5.38 0.36 0.72 0.00 17.97 1.11 96 V C C 50.34 18.02 13.79 30.75 104.34 -158.83 -77.83 10.43 83.37 6.90 9.72 34.91 20.84 28.93 3.32 5.53 0.05 4.76 1.66 97 G C T 39.14 7.14 18.52 26.17 109.03 106.88 57.78 -81.06 82.74 3.24 14.03 30.91 21.82 31.31 5.70 7.08 0.03 1.70 1.44 98 D C C 85.07 7.12 16.86 24.71 101.34 21.41 -88.41 13.67 71.68 2.57 25.75 46.52 12.03 13.22 14.63 11.01 0.01 1.37 1.21 99 S C H 35.17 16.38 11.08 26.50 104.99 105.01 -82.70 62.52 52.01 2.02 45.96 25.98 9.94 16.24 27.51 18.30 0.07 1.05 0.91 100 D H H 102.63 3.51 18.16 22.26 98.72 72.78 -77.05 -7.82 46.62 1.91 51.47 18.34 9.76 18.96 31.44 19.52 0.13 1.06 0.80 101 I H H 72.78 11.96 13.10 25.26 98.29 81.43 -76.37 -22.60 44.95 4.05 51.00 19.25 10.00 17.16 33.63 15.77 0.28 2.47 1.44 102 A C C 47.84 12.55 11.19 23.67 102.53 61.97 -86.07 2.39 55.26 4.73 40.01 38.60 3.67 14.91 31.32 6.69 0.07 2.72 2.03 103 A C C 73.46 4.97 15.73 21.98 107.31 102.56 -84.64 98.53 99.66 0.13 0.20 99.39 0.14 0.23 0.14 0.01 0.00 0.08 0.02