# 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 128.73 3.42 10.21 15.35 113.74 -155.93 -92.88 127.36 99.85 0.10 0.05 99.76 0.10 0.05 0.02 0.00 0.00 0.05 0.02 1 L C C 113.41 3.67 7.86 13.35 112.68 -142.42 -90.02 130.32 82.09 3.03 14.89 77.85 1.14 3.56 13.12 1.43 0.00 1.41 1.49 2 N C C 107.97 2.39 8.88 12.79 110.39 -141.98 -89.07 119.08 74.68 3.01 22.31 61.42 6.88 5.62 20.34 2.88 0.00 1.53 1.33 3 I H H 116.99 3.10 8.63 13.40 96.77 -141.14 -71.75 -29.24 30.69 2.32 66.98 19.02 5.43 8.01 52.07 13.20 0.06 1.53 0.68 4 F H H 139.94 2.46 9.62 13.41 96.29 60.81 -76.00 -22.19 21.41 2.00 76.59 10.61 3.82 7.59 57.00 18.96 0.06 1.52 0.43 5 S H H 67.33 3.36 10.02 15.01 98.01 64.47 -77.95 -17.20 21.66 2.29 76.06 11.34 3.58 7.24 56.19 19.34 0.05 1.80 0.46 6 L H H 102.62 3.49 10.29 15.29 99.28 62.35 -79.41 -21.26 25.31 3.56 71.12 14.01 4.84 8.14 56.57 12.85 0.10 2.69 0.80 7 I H H 105.49 3.28 10.88 15.60 103.45 62.65 -83.77 -14.21 35.92 5.83 58.25 23.40 6.35 8.49 50.14 6.13 0.07 4.02 1.40 8 C C H 79.61 3.58 10.65 15.75 103.46 51.37 -87.01 -0.38 50.87 5.23 43.91 34.75 6.40 10.11 39.21 4.64 0.03 3.58 1.28 9 L C H 104.90 3.65 10.92 16.07 103.46 67.53 -80.38 5.89 50.94 3.75 45.31 30.29 9.10 12.51 39.42 5.22 0.06 2.29 1.10 10 N C H 105.15 3.20 11.55 15.99 101.70 57.92 -83.22 26.89 53.71 1.91 44.38 30.44 9.59 14.38 37.83 5.99 0.03 1.04 0.70 11 S H H 63.33 4.63 10.57 16.79 100.12 78.94 -75.12 -26.12 37.47 1.28 61.25 17.91 7.63 13.11 46.97 13.11 0.06 0.69 0.52 12 A H H 72.17 2.90 11.63 15.72 95.48 64.57 -68.94 -29.95 32.36 1.44 66.20 12.59 6.27 14.00 49.02 16.59 0.14 0.85 0.53 13 L H H 104.48 3.57 11.48 16.26 95.76 56.93 -72.16 -29.41 31.90 2.68 65.42 13.43 6.38 13.10 47.83 16.51 0.19 1.70 0.85 14 Y H H 135.03 4.70 11.07 17.28 100.74 56.53 -81.42 -17.28 41.00 4.19 54.81 21.69 9.26 12.53 41.44 11.01 0.18 2.45 1.43 15 S C H 67.65 4.12 11.58 17.22 101.86 68.31 -82.69 0.42 54.26 3.08 42.65 30.71 9.30 15.14 33.69 8.20 0.06 1.76 1.14 16 S C H 70.51 4.07 11.39 16.87 100.84 66.27 -84.90 -2.86 54.36 2.28 43.36 24.24 13.10 18.09 30.95 11.37 0.09 1.17 0.98 17 S C H 69.12 3.75 11.25 16.36 100.23 65.15 -78.07 -15.08 49.68 2.73 47.59 22.31 10.87 17.18 31.97 14.97 0.09 1.61 1.00 18 F H H 126.86 3.75 10.70 15.91 97.61 68.09 -74.60 -26.81 42.27 5.35 52.38 17.21 9.32 16.59 32.69 18.81 0.24 3.68 1.46 19 F H H 126.41 3.98 10.76 16.21 98.37 54.43 -78.59 -26.45 38.27 8.93 52.80 15.37 8.27 15.61 32.23 19.44 0.55 6.33 2.19 20 F H H 131.70 3.81 10.67 16.04 98.26 59.49 -76.00 -22.83 42.30 8.24 49.46 13.45 8.85 20.10 28.78 20.04 0.68 5.75 2.36 21 G C T 48.86 3.44 11.58 16.41 98.90 56.64 -72.12 -24.42 59.81 4.51 35.68 16.37 12.15 31.28 20.18 15.31 0.23 2.90 1.56 22 K C T 143.27 2.42 12.06 15.61 102.19 58.41 -89.43 -2.95 67.63 4.63 27.74 24.70 17.81 26.30 15.01 11.63 0.14 2.50 1.93 23 L C C 81.48 7.06 8.71 17.34 115.39 95.60 -90.63 134.89 84.42 2.24 13.34 54.75 25.97 3.98 10.47 2.78 0.01 0.92 1.13 24 P C C 80.77 4.03 11.32 16.98 104.93 -107.80 -67.90 134.52 59.70 1.24 39.06 42.87 6.25 10.10 20.90 18.64 0.00 0.72 0.52 25 E H G 134.27 2.62 11.61 15.52 97.88 -114.45 -69.69 -26.62 29.03 1.25 69.71 10.65 5.12 12.81 28.33 41.94 0.02 0.77 0.36 26 A H G 64.08 3.83 11.12 16.38 98.76 58.82 -73.72 -25.19 25.08 1.16 73.76 8.22 3.94 12.00 29.15 45.63 0.02 0.75 0.29 27 Y H G 113.70 6.10 10.30 17.95 97.46 55.41 -82.60 -8.74 23.82 1.21 74.97 10.09 3.90 9.70 28.37 46.86 0.01 0.77 0.31 28 A H G 62.29 4.97 10.74 17.59 94.06 82.32 -64.38 -34.39 23.23 1.09 75.67 5.85 3.37 13.28 22.89 53.57 0.02 0.72 0.29 29 F H G 154.40 1.66 12.69 14.66 94.07 53.56 -73.35 -23.03 28.60 0.91 70.49 4.07 3.57 19.55 19.13 52.78 0.02 0.60 0.28 30 L H G 99.38 4.20 11.00 16.72 100.06 54.74 -89.88 -4.36 37.95 1.49 60.56 9.08 7.79 21.42 16.16 44.03 0.05 0.81 0.67 31 S C C 50.08 6.53 10.36 18.73 110.93 91.93 -87.80 115.19 81.82 1.18 17.00 57.61 19.74 4.48 13.42 3.57 0.00 0.42 0.76 32 P H H 84.77 3.94 11.73 17.26 96.77 -138.42 -65.94 -25.29 44.78 1.48 53.74 18.49 6.85 19.47 36.80 16.86 0.06 0.84 0.63 33 I H H 111.55 2.72 12.00 15.81 94.71 63.58 -69.64 -30.33 28.27 3.63 68.11 8.99 4.92 13.72 43.17 25.37 0.34 2.58 0.91 34 V H H 79.07 4.63 10.94 17.16 95.65 56.16 -72.82 -32.82 18.91 2.97 78.11 6.41 3.39 8.56 45.12 33.56 0.18 2.23 0.55 35 D H H 92.10 3.69 12.78 17.68 95.78 57.31 -73.39 -26.97 30.95 1.69 67.37 6.69 4.40 17.66 37.50 31.91 0.18 1.08 0.58 36 F H H 119.73 4.29 12.25 17.76 98.38 49.47 -86.89 -14.61 41.71 1.77 56.52 7.77 6.73 25.29 33.72 24.22 0.37 0.96 0.94 37 M C H 97.61 5.10 11.70 18.54 96.23 77.16 -65.73 -37.73 50.98 2.45 46.57 19.21 11.65 20.66 27.86 18.12 0.13 1.27 1.11 38 P C T 85.46 2.87 13.53 17.20 94.70 54.98 -68.66 -28.53 54.67 0.94 44.39 10.43 6.98 36.16 28.22 17.09 0.06 0.54 0.52 39 V H H 81.10 3.81 13.48 18.36 95.46 53.99 -74.47 -31.45 31.17 1.05 67.78 6.81 4.53 19.24 50.75 17.28 0.29 0.57 0.55 40 I H H 75.85 5.59 13.11 20.40 93.12 62.55 -64.37 -42.28 7.89 0.48 91.63 4.17 1.74 2.78 87.15 3.68 0.01 0.34 0.12 41 P H H 66.64 4.29 14.28 19.91 92.24 51.92 -64.62 -39.47 5.02 0.30 94.68 2.25 0.57 2.26 91.02 3.59 0.01 0.25 0.05 42 L H H 96.77 2.23 15.35 17.65 92.32 51.23 -65.86 -40.06 2.06 0.08 97.87 0.56 0.23 1.17 94.06 3.90 0.00 0.06 0.01 43 F H H 110.53 3.25 15.02 18.99 92.67 50.17 -66.31 -40.58 1.51 0.05 98.44 0.36 0.16 0.91 96.22 2.31 0.00 0.03 0.01 44 F H H 102.15 4.97 14.35 20.47 92.82 49.63 -66.04 -40.60 1.14 0.02 98.84 0.18 0.10 0.78 97.69 1.24 0.00 0.01 0.00 45 F H H 114.74 3.29 15.27 19.11 92.45 50.50 -65.51 -41.09 0.80 0.01 99.19 0.10 0.06 0.57 98.42 0.85 0.00 0.01 0.00 46 L H H 95.25 2.07 16.33 18.03 91.97 50.24 -64.77 -41.61 0.96 0.01 99.03 0.10 0.06 0.70 98.58 0.56 0.00 0.00 0.00 47 L H H 83.47 3.58 15.88 20.24 92.16 49.62 -65.38 -40.96 0.66 0.00 99.33 0.08 0.04 0.44 99.19 0.24 0.00 0.00 0.00 48 A H H 42.81 5.19 14.17 21.11 91.66 51.46 -63.60 -41.30 0.38 0.00 99.62 0.06 0.02 0.23 99.59 0.10 0.00 0.00 0.00 49 F H H 117.21 2.39 16.17 18.53 92.00 49.93 -64.86 -41.14 0.30 0.00 99.70 0.03 0.02 0.21 99.62 0.12 0.00 0.00 0.00 50 V H H 86.10 1.93 15.90 17.37 91.95 49.14 -64.33 -42.19 0.25 0.00 99.75 0.03 0.01 0.16 99.69 0.10 0.00 0.00 0.00 51 W H H 132.44 3.40 14.78 18.97 92.28 48.77 -65.59 -40.94 0.42 0.00 99.58 0.04 0.02 0.29 99.49 0.16 0.00 0.00 0.00 52 Q H H 94.01 3.75 13.90 18.74 92.16 51.42 -64.71 -39.33 1.21 0.00 98.78 0.11 0.06 0.90 98.56 0.35 0.00 0.00 0.00 53 A H H 64.65 1.85 13.48 15.54 92.32 51.83 -65.76 -36.80 4.93 0.01 95.06 0.37 0.28 3.99 94.53 0.81 0.01 0.00 0.00 54 A H H 67.47 2.29 11.72 14.84 93.72 53.09 -70.47 -30.75 14.79 0.09 85.12 1.84 1.29 11.26 83.96 1.54 0.02 0.04 0.04 55 V H H 92.73 3.28 9.52 14.32 98.65 59.40 -79.35 -21.62 35.79 1.35 62.85 9.96 5.96 21.24 58.73 2.77 0.11 0.61 0.62 56 S C H 83.64 1.82 8.96 12.06 101.85 74.57 -81.75 0.70 59.15 3.71 37.13 24.14 8.51 26.84 33.28 3.79 0.06 1.97 1.40 57 F C C 162.08 1.61 7.32 10.38 105.39 83.50 -86.53 38.27 80.73 2.20 17.07 60.21 2.06 18.15 14.81 2.50 0.00 1.18 1.08 58 R C C 170.57 2.17 9.55 13.35 110.25 73.71 -89.84 109.07 99.89 0.07 0.04 99.78 0.09 0.07 0.02 0.00 0.00 0.04 0.01