# 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 105.18 6.80 12.79 20.74 114.06 -165.19 -93.04 132.28 99.94 0.04 0.02 99.87 0.06 0.04 0.01 0.00 0.00 0.01 0.00 1 A C C 65.91 6.37 9.37 17.14 110.67 -131.20 -80.12 135.88 89.73 1.19 9.07 83.63 1.35 6.20 4.72 2.86 0.00 0.63 0.61 2 Q C C 125.58 3.13 9.58 14.38 109.02 -118.40 -82.33 122.01 87.96 1.60 10.45 57.95 18.71 11.56 4.96 5.16 0.00 0.79 0.87 3 K C C 145.69 2.83 9.93 14.44 105.70 -131.22 -85.17 61.30 86.91 1.30 11.79 59.15 20.21 7.71 5.97 5.52 0.00 0.56 0.88 4 K C C 131.67 3.66 10.85 16.25 115.46 -125.00 -93.67 132.99 84.43 0.85 14.72 62.87 16.13 5.71 8.55 5.83 0.00 0.37 0.54 5 P C C 75.93 6.70 10.30 18.59 110.88 -108.57 -69.50 145.95 78.08 1.00 20.92 57.23 9.32 11.47 9.53 11.40 0.00 0.51 0.53 6 K C C 115.66 6.26 10.95 18.70 108.29 -105.72 -76.00 122.79 76.35 1.77 21.88 55.03 9.58 11.39 10.12 12.01 0.00 0.89 0.97 7 R C C 162.21 3.27 12.28 16.84 100.56 62.68 -83.37 -14.18 81.64 1.59 16.77 46.78 25.37 9.79 9.35 7.01 0.00 0.61 1.09 8 N C C 77.26 4.61 12.11 18.28 119.59 63.43 -105.92 144.61 89.95 1.19 8.87 52.15 34.31 3.35 7.41 1.56 0.00 0.33 0.89 9 L H H 114.67 3.19 12.39 17.15 93.75 -122.51 -62.63 -34.95 14.53 0.13 85.35 4.92 3.19 7.18 81.59 2.99 0.02 0.05 0.07 10 S H H 67.81 1.97 15.00 16.89 92.64 53.43 -65.52 -38.68 13.44 0.10 86.46 3.74 1.89 7.96 82.72 3.56 0.02 0.05 0.06 11 A H H 31.30 6.60 12.93 21.81 93.04 50.99 -65.69 -39.55 7.96 0.13 91.91 3.96 1.28 3.30 87.83 3.49 0.01 0.07 0.06 12 L H H 62.68 7.01 13.59 22.41 92.16 53.20 -64.07 -41.81 3.28 0.05 96.67 1.76 0.48 1.15 95.59 0.98 0.00 0.02 0.02 13 K H H 117.13 2.05 17.44 19.01 91.76 50.19 -64.44 -41.29 2.65 0.05 97.30 1.32 0.32 0.99 96.80 0.53 0.00 0.02 0.01 14 R H H 132.02 2.83 17.34 20.28 92.03 49.81 -65.28 -40.33 2.34 0.04 97.63 1.05 0.28 0.94 97.27 0.42 0.00 0.01 0.01 15 H H H 80.26 8.04 15.45 24.61 92.58 50.19 -65.59 -40.48 2.17 0.02 97.81 0.93 0.26 0.89 97.57 0.33 0.00 0.01 0.01 16 R H H 124.57 3.67 18.03 22.11 91.92 50.46 -64.62 -41.25 2.57 0.02 97.41 0.98 0.31 1.14 97.21 0.34 0.00 0.01 0.01 17 Q H H 91.57 2.83 18.92 21.50 92.22 49.87 -65.11 -40.82 3.21 0.02 96.77 1.16 0.39 1.42 96.71 0.30 0.00 0.01 0.01 18 S H H 34.06 7.71 15.91 25.33 92.40 50.93 -64.89 -40.46 3.37 0.01 96.61 1.34 0.39 1.32 96.72 0.22 0.00 0.00 0.01 19 L H H 73.26 5.42 17.43 24.00 92.08 51.00 -64.61 -41.12 1.74 0.01 98.25 0.59 0.19 0.73 98.32 0.16 0.00 0.00 0.00 20 K H H 114.45 2.39 19.84 21.47 91.89 50.14 -64.45 -41.24 1.23 0.00 98.76 0.39 0.12 0.53 98.82 0.13 0.00 0.00 0.00 21 R H H 104.55 6.85 17.85 25.58 92.13 49.92 -65.05 -41.04 0.93 0.00 99.07 0.27 0.09 0.41 99.12 0.11 0.00 0.00 0.00 22 R H H 103.54 9.27 17.48 27.30 91.79 50.64 -64.16 -40.56 0.85 0.00 99.15 0.21 0.07 0.40 99.22 0.09 0.00 0.00 0.00 23 L H H 88.42 3.00 20.59 23.02 91.98 49.93 -64.62 -41.47 0.69 0.00 99.31 0.15 0.06 0.35 99.36 0.08 0.00 0.00 0.00 24 R H H 120.27 3.72 20.89 24.63 91.88 49.66 -64.55 -41.34 0.62 0.00 99.38 0.12 0.05 0.33 99.43 0.07 0.00 0.00 0.00 25 N H H 30.12 15.12 15.81 31.42 92.38 50.38 -65.05 -40.44 0.83 0.00 99.17 0.16 0.06 0.46 99.24 0.08 0.00 0.00 0.00 26 K H H 108.59 5.64 20.60 26.95 91.86 51.33 -63.98 -40.95 0.54 0.00 99.46 0.10 0.04 0.30 99.50 0.06 0.00 0.00 0.00 27 A H H 59.12 2.63 22.60 24.02 91.85 49.82 -64.62 -42.11 0.54 0.00 99.46 0.10 0.04 0.31 99.49 0.06 0.00 0.00 0.00 28 K H H 53.12 13.60 19.46 33.15 91.93 48.99 -64.76 -42.06 0.57 0.00 99.43 0.11 0.05 0.33 99.46 0.06 0.00 0.00 0.00 29 K H H 57.86 16.21 18.60 34.16 91.39 51.69 -62.47 -42.20 0.52 0.00 99.48 0.11 0.04 0.29 99.50 0.06 0.00 0.00 0.00 30 S H H 59.76 2.69 24.34 25.87 91.39 50.36 -64.12 -40.61 0.59 0.00 99.41 0.11 0.04 0.33 99.47 0.06 0.00 0.00 0.00 31 A H H 47.03 5.97 23.10 29.50 91.59 50.38 -64.92 -41.06 0.70 0.00 99.30 0.08 0.04 0.44 99.39 0.06 0.00 0.00 0.00 32 I H H 8.80 23.18 16.50 39.79 91.88 50.44 -64.46 -42.79 0.38 0.00 99.62 0.05 0.02 0.21 99.68 0.04 0.00 0.00 0.00 33 K H H 95.54 9.85 22.69 32.60 91.41 51.58 -62.45 -41.82 0.29 0.00 99.71 0.05 0.01 0.15 99.76 0.03 0.00 0.00 0.00 34 T H H 74.63 2.19 25.86 26.17 91.48 49.27 -64.01 -42.18 0.27 0.00 99.73 0.04 0.01 0.15 99.77 0.03 0.00 0.00 0.00 35 L H H 25.45 15.08 21.24 36.56 91.75 49.38 -64.93 -42.12 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 36 S H H 8.24 22.12 18.53 40.34 91.37 51.51 -62.70 -42.83 0.15 0.00 99.85 0.01 0.01 0.09 99.86 0.02 0.00 0.00 0.00 37 K H H 113.33 3.57 25.67 29.25 91.43 50.82 -63.62 -41.59 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 38 K H H 102.16 4.47 25.87 30.36 91.68 49.59 -64.75 -41.18 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 39 A H H 2.85 24.14 17.64 42.18 91.38 50.44 -64.05 -43.38 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 40 I H H 50.25 14.37 22.47 36.28 91.33 50.05 -62.91 -42.50 0.08 0.00 99.92 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 41 Q H H 100.66 2.00 25.93 25.97 91.68 50.02 -63.90 -41.95 0.16 0.00 99.84 0.01 0.01 0.11 99.82 0.05 0.00 0.00 0.00 42 L H H 25.48 10.31 18.50 30.87 91.69 49.43 -64.35 -41.79 0.43 0.00 99.57 0.04 0.02 0.29 99.48 0.17 0.00 0.00 0.00 43 A H H 11.20 20.45 12.94 33.18 91.71 51.86 -63.93 -41.13 1.26 0.00 98.74 0.14 0.07 0.92 98.33 0.55 0.00 0.00 0.00 44 Q H H 126.82 3.23 18.39 22.70 91.14 52.81 -65.32 -30.95 6.48 0.00 93.52 0.18 0.25 6.06 92.97 0.54 0.00 0.00 0.00 45 E C T 133.83 1.59 18.00 18.63 92.38 52.31 -85.74 -2.89 76.44 0.01 23.55 0.32 1.25 73.92 23.91 0.59 0.00 0.00 0.01 46 G C T 46.40 6.51 14.64 22.46 96.13 -108.38 82.93 12.31 99.70 0.01 0.30 1.43 1.84 96.52 0.17 0.03 0.00 0.00 0.00 47 K C C 95.00 5.54 17.31 24.23 103.77 138.74 -95.87 83.52 99.48 0.13 0.39 99.09 0.37 0.16 0.21 0.04 0.00 0.03 0.09 48 A H H 35.22 16.63 12.67 29.08 94.49 166.13 -64.73 -38.44 4.42 0.01 95.57 2.20 0.68 1.56 94.59 0.97 0.00 0.00 0.00 49 E H H 133.69 1.78 22.64 23.50 91.69 52.78 -63.76 -41.20 1.73 0.00 98.26 0.23 0.17 1.20 97.25 1.15 0.00 0.00 0.00 50 E H H 92.79 4.30 22.82 27.02 91.89 47.52 -66.10 -39.71 0.85 0.00 99.14 0.13 0.06 0.56 98.23 1.01 0.00 0.00 0.00 51 A H H 3.79 22.43 14.21 37.16 91.64 52.09 -63.63 -42.74 0.44 0.00 99.56 0.08 0.03 0.24 99.29 0.36 0.00 0.00 0.00 52 L H H 53.18 12.85 21.73 34.38 91.57 51.78 -63.00 -41.53 0.31 0.00 99.68 0.04 0.01 0.19 99.60 0.16 0.00 0.00 0.00 53 K H H 117.18 2.02 26.65 27.01 91.55 50.79 -63.72 -42.08 0.45 0.00 99.55 0.04 0.01 0.32 99.48 0.14 0.00 0.00 0.00 54 I H H 26.26 14.90 21.59 36.77 91.70 49.44 -64.66 -42.51 0.31 0.00 99.69 0.03 0.01 0.21 99.66 0.09 0.00 0.00 0.00 55 M H H 9.94 24.12 18.51 42.24 91.51 51.86 -62.58 -42.75 0.11 0.00 99.89 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 56 R H H 126.33 5.39 25.33 31.44 91.56 51.09 -63.60 -41.54 0.09 0.00 99.91 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 57 K H H 108.08 3.69 26.66 30.25 91.59 49.58 -64.73 -41.25 0.25 0.00 99.75 0.01 0.01 0.20 99.74 0.05 0.00 0.00 0.00 58 A H H 3.50 23.06 18.84 42.12 91.72 50.17 -64.18 -42.88 0.25 0.00 99.75 0.01 0.01 0.19 99.76 0.03 0.00 0.00 0.00 59 E H H 45.47 17.48 22.21 38.50 91.26 51.92 -62.08 -42.56 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 60 S H H 60.27 2.50 26.94 28.17 91.31 50.74 -63.56 -41.98 0.07 0.00 99.93 0.00 0.00 0.06 99.93 0.01 0.00 0.00 0.00 61 L H H 44.79 11.49 23.42 35.23 91.72 49.21 -65.00 -41.90 0.10 0.00 99.90 0.00 0.00 0.07 99.90 0.02 0.00 0.00 0.00 62 I H H 4.57 25.13 17.48 42.80 91.58 49.22 -63.65 -42.87 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 63 D H H 62.48 8.66 23.47 32.34 91.42 51.01 -63.00 -41.70 0.32 0.00 99.68 0.03 0.01 0.22 99.70 0.04 0.00 0.00 0.00 64 K H H 113.80 2.42 25.41 26.54 91.89 49.63 -64.91 -41.36 0.63 0.00 99.37 0.04 0.03 0.50 99.33 0.10 0.00 0.00 0.00 65 A H H 10.08 15.17 16.99 33.52 91.97 50.17 -64.45 -41.51 1.25 0.00 98.74 0.12 0.09 0.93 98.60 0.26 0.00 0.00 0.00 66 A H H 23.69 15.16 14.84 30.33 92.16 52.11 -64.55 -39.77 4.93 0.03 95.04 0.67 0.40 3.68 94.39 0.81 0.02 0.01 0.02 67 K H H 157.15 1.31 19.61 20.07 91.49 53.38 -65.77 -28.57 14.39 0.04 85.58 0.59 0.89 13.30 84.40 0.73 0.06 0.01 0.03 68 G C T 43.57 4.82 15.44 21.29 93.80 53.72 -83.43 -3.27 87.70 0.03 12.27 0.49 4.38 82.35 11.97 0.76 0.00 0.01 0.04 69 S C T 86.32 3.23 17.02 21.34 95.94 -113.13 68.42 17.59 99.46 0.02 0.52 0.79 9.08 89.76 0.24 0.12 0.00 0.01 0.01 70 T C S 46.35 12.40 15.88 28.88 96.14 122.99 -80.80 -29.57 99.74 0.14 0.11 3.76 94.36 1.70 0.05 0.03 0.00 0.04 0.05 71 L C S 15.08 21.34 11.25 32.18 131.63 24.99 -133.90 151.33 98.58 1.30 0.12 7.03 90.97 0.85 0.06 0.03 0.00 0.25 0.82 72 H C C 109.03 3.06 21.47 23.72 115.68 -102.63 -70.38 148.58 99.69 0.19 0.12 99.05 0.66 0.05 0.09 0.01 0.00 0.05 0.09 73 K H H 124.61 8.54 13.53 23.53 91.70 -114.01 -57.85 -38.53 8.56 0.02 91.42 0.74 0.84 6.56 87.45 4.38 0.01 0.01 0.01 74 N H H 114.79 1.19 20.92 20.08 91.78 52.89 -64.38 -39.04 7.84 0.02 92.15 0.54 0.56 6.41 87.80 4.67 0.01 0.01 0.01 75 A H H 32.06 8.35 18.82 28.60 92.07 48.97 -66.57 -40.53 4.16 0.04 95.81 0.98 0.54 2.52 91.73 4.18 0.01 0.02 0.02 76 A H H 4.76 21.57 13.10 35.13 91.23 52.30 -62.99 -42.68 1.39 0.01 98.61 0.45 0.16 0.68 97.99 0.71 0.00 0.00 0.00 77 A H H 52.10 5.46 21.96 27.82 91.58 51.71 -63.37 -41.52 0.78 0.00 99.22 0.16 0.06 0.39 99.12 0.26 0.00 0.00 0.00 78 R H H 137.35 2.02 24.27 24.74 91.96 49.49 -64.60 -41.41 0.56 0.00 99.44 0.09 0.04 0.30 99.42 0.15 0.00 0.00 0.00 79 R H H 54.90 15.87 20.02 35.31 92.14 48.96 -65.42 -41.55 0.43 0.00 99.57 0.06 0.03 0.24 99.57 0.10 0.00 0.00 0.00 80 K H H 48.07 18.25 19.26 36.49 91.46 51.84 -62.25 -42.52 0.53 0.00 99.47 0.09 0.04 0.29 99.52 0.07 0.00 0.00 0.00 81 S H H 57.90 2.83 24.61 26.39 91.28 50.55 -63.49 -41.68 0.76 0.00 99.24 0.13 0.04 0.41 99.36 0.07 0.00 0.00 0.00 82 R H H 100.69 5.69 23.81 29.71 91.54 49.73 -64.33 -41.67 0.61 0.00 99.39 0.08 0.04 0.35 99.46 0.07 0.00 0.00 0.00 83 L H H 6.79 23.06 16.92 40.21 91.45 50.13 -63.95 -42.64 0.42 0.00 99.58 0.06 0.02 0.22 99.61 0.07 0.00 0.00 0.00 84 M H H 65.92 11.29 21.79 33.15 91.55 51.19 -62.82 -41.75 0.35 0.00 99.65 0.05 0.01 0.18 99.69 0.06 0.00 0.00 0.00 85 R H H 136.19 1.90 25.01 25.15 91.49 50.22 -64.15 -41.70 0.32 0.00 99.68 0.03 0.01 0.19 99.72 0.05 0.00 0.00 0.00 86 K H H 61.89 11.55 21.37 33.14 91.86 49.07 -65.16 -41.50 0.35 0.00 99.65 0.04 0.02 0.20 99.68 0.06 0.00 0.00 0.00 87 V H H 13.82 20.85 16.64 37.50 91.46 50.23 -63.42 -43.00 0.29 0.00 99.71 0.04 0.01 0.16 99.73 0.06 0.00 0.00 0.00 88 R H H 124.74 4.16 22.61 27.00 91.38 50.56 -63.27 -41.18 0.39 0.00 99.61 0.05 0.02 0.23 99.61 0.09 0.00 0.00 0.00 89 Q H H 95.65 3.09 22.61 25.06 91.83 49.85 -64.87 -41.04 0.81 0.00 99.19 0.09 0.05 0.52 99.16 0.18 0.00 0.00 0.00 90 L H H 27.56 15.75 16.38 32.60 92.13 50.13 -64.74 -41.39 1.18 0.00 98.82 0.18 0.10 0.72 98.71 0.29 0.00 0.00 0.00 91 L H H 59.93 12.23 17.39 29.87 92.03 50.57 -64.73 -40.25 3.26 0.01 96.72 0.68 0.33 1.92 96.48 0.58 0.00 0.00 0.01 92 E H H 132.56 1.77 20.00 20.99 92.30 50.84 -65.55 -36.94 9.80 0.04 90.16 1.98 1.00 6.12 89.84 1.02 0.01 0.01 0.02 93 A H H 55.01 6.79 15.40 23.35 93.77 52.16 -71.18 -28.22 19.64 0.13 80.23 5.23 2.71 11.43 78.61 1.90 0.02 0.05 0.07 94 A H H 56.02 10.57 13.38 24.41 98.19 68.52 -70.93 -19.92 40.31 0.27 59.42 7.95 5.38 26.52 57.10 2.76 0.03 0.10 0.16 95 G C T 54.84 2.93 17.44 20.75 98.08 34.96 -44.74 -0.25 62.98 0.40 36.61 15.27 8.51 39.02 33.20 3.56 0.01 0.15 0.28 96 A C C 44.13 10.87 10.94 22.73 116.14 119.64 -77.24 146.44 75.32 0.76 23.92 46.68 21.84 7.15 18.50 5.06 0.00 0.27 0.51 97 P C C 95.00 3.85 16.58 21.33 107.57 -108.44 -72.08 136.29 72.12 1.75 26.13 54.29 8.51 9.07 17.97 8.41 0.00 0.98 0.79 98 L C C 86.72 11.09 12.56 23.82 108.99 -137.96 -87.32 104.19 67.91 5.53 26.56 48.64 9.88 9.14 17.73 9.08 0.02 3.39 2.12 99 I C C 97.69 8.10 14.00 23.04 113.56 105.47 -96.13 127.18 70.38 6.31 23.31 43.43 12.04 14.85 16.39 7.02 0.03 3.78 2.46 100 G C C 48.93 5.09 14.53 21.02 108.67 4.98 83.52 9.44 81.80 2.50 15.71 37.06 18.24 27.57 8.41 6.32 0.01 1.30 1.10 101 G C C 46.63 6.08 13.72 21.14 110.72 -5.55 77.06 5.15 86.12 1.83 12.06 34.83 24.65 27.57 3.98 7.15 0.00 0.89 0.91 102 G C C 48.95 5.35 13.95 20.57 108.64 -52.44 46.34 46.43 83.84 3.58 12.58 43.86 22.07 18.60 3.46 8.64 0.00 1.99 1.38 103 L C C 93.01 9.05 10.44 20.28 109.05 101.32 -87.39 110.12 81.58 6.03 12.39 52.04 16.95 13.04 3.79 8.31 0.01 3.63 2.22 104 S C C 80.23 3.54 11.56 16.78 111.60 -141.53 -88.08 129.33 90.17 3.27 6.56 81.53 1.91 8.14 2.29 2.81 0.00 2.06 1.26 105 A C C 77.12 5.33 12.08 19.05 109.05 -132.64 -85.20 114.64 99.94 0.05 0.01 99.89 0.06 0.03 0.00 0.00 0.00 0.02 0.00