# 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 113.69 5.78 11.44 18.66 114.88 -143.18 -88.23 137.15 99.93 0.06 0.02 99.83 0.09 0.04 0.01 0.00 0.00 0.02 0.01 1 A C C 74.77 3.91 9.63 15.29 111.64 -116.08 -74.52 141.71 94.81 1.46 3.73 89.91 1.13 4.50 2.00 1.01 0.00 0.74 0.71 2 S C C 83.16 2.53 9.34 13.41 110.30 -118.31 -82.49 131.08 92.32 2.29 5.38 67.57 14.30 10.50 2.45 2.76 0.00 1.17 1.25 3 S C C 82.92 2.99 8.99 13.64 103.33 -128.96 -81.35 11.34 86.80 2.33 10.87 54.09 18.14 14.76 5.10 5.50 0.00 1.12 1.29 4 S C C 83.37 2.41 9.63 13.42 103.59 101.02 -82.71 13.60 82.97 1.81 15.22 39.80 22.16 21.72 7.75 6.67 0.01 0.76 1.13 5 G C C 49.03 3.26 10.44 15.13 106.69 44.72 -11.86 -19.10 79.29 1.38 19.33 39.94 22.23 17.74 12.14 6.47 0.01 0.54 0.95 6 A C H 79.67 2.77 10.69 14.64 101.50 75.23 -77.23 -17.66 59.16 0.92 39.91 29.02 15.15 16.46 31.29 7.09 0.02 0.37 0.61 7 G C H 49.64 2.56 12.34 15.74 100.22 40.11 -36.74 -44.83 50.92 0.91 48.17 23.89 13.25 15.90 38.78 7.23 0.03 0.38 0.54 8 A H H 73.00 2.65 12.10 15.66 96.18 39.29 -69.69 -34.59 37.27 0.82 61.91 22.86 7.83 8.47 53.35 6.71 0.02 0.39 0.38 9 A H H 66.27 3.08 12.20 16.40 95.48 54.69 -69.18 -35.79 31.20 0.76 68.05 21.59 5.35 6.01 61.35 5.03 0.01 0.38 0.29 10 A H H 64.20 3.42 13.01 17.45 94.97 54.09 -68.16 -36.64 27.76 0.59 71.64 19.67 4.16 5.40 66.21 4.04 0.01 0.30 0.22 11 A H H 65.13 2.74 14.07 17.41 94.06 54.15 -66.72 -39.39 25.49 0.40 74.11 18.56 3.32 4.59 70.23 2.96 0.00 0.19 0.14 12 A H H 62.96 2.59 14.33 17.47 93.53 51.78 -66.07 -39.04 24.09 0.32 75.59 17.87 2.87 4.18 72.46 2.37 0.00 0.15 0.11 13 A H H 58.72 3.64 14.18 18.85 92.99 51.35 -66.48 -39.08 19.88 0.25 79.86 14.21 2.47 3.91 77.09 2.11 0.00 0.12 0.09 14 A H H 60.00 3.40 14.49 18.76 92.88 51.46 -66.03 -39.61 16.53 0.19 83.28 10.97 2.32 3.84 80.69 2.01 0.00 0.09 0.07 15 A H H 63.87 2.35 15.45 18.01 92.73 51.42 -66.13 -39.44 15.65 0.18 84.17 9.81 2.15 4.03 82.08 1.78 0.00 0.09 0.06 16 N H H 92.87 3.03 15.62 19.13 93.46 50.02 -67.49 -37.99 15.50 0.17 84.33 9.90 2.10 3.87 82.45 1.53 0.00 0.08 0.06 17 L H H 78.58 5.59 14.39 21.25 92.91 51.95 -65.58 -40.37 8.14 0.09 91.77 4.65 1.21 2.43 90.57 1.06 0.00 0.04 0.03 18 N H H 92.77 2.45 16.97 19.39 92.74 51.83 -65.38 -40.13 6.34 0.06 93.60 3.43 0.87 2.11 92.65 0.89 0.00 0.02 0.02 19 A H H 55.19 2.89 16.84 20.01 92.14 51.43 -65.25 -40.66 5.30 0.05 94.65 2.46 0.70 2.03 94.00 0.76 0.00 0.02 0.02 20 V H H 61.09 6.70 15.19 23.04 92.28 50.74 -65.14 -40.73 4.33 0.04 95.63 2.08 0.53 1.55 95.24 0.56 0.00 0.02 0.02 21 R H H 125.47 4.50 16.87 22.24 92.05 51.11 -64.18 -40.84 2.76 0.03 97.21 1.37 0.32 0.93 97.00 0.35 0.00 0.01 0.01 22 E H H 110.33 2.13 18.47 20.01 91.97 50.43 -65.02 -41.50 2.64 0.03 97.33 1.21 0.27 0.98 97.21 0.30 0.00 0.01 0.01 23 T H H 60.51 5.41 17.36 23.54 92.17 50.23 -64.77 -41.73 1.86 0.01 98.13 0.77 0.18 0.74 98.08 0.22 0.00 0.00 0.00 24 M H H 69.32 9.12 16.35 26.42 91.98 50.27 -64.46 -41.31 0.70 0.00 99.30 0.23 0.06 0.30 99.30 0.11 0.00 0.00 0.00 25 D H H 80.76 3.60 19.07 22.96 91.98 50.95 -64.29 -40.70 0.60 0.00 99.40 0.17 0.04 0.29 99.40 0.11 0.00 0.00 0.00 26 V H H 74.80 3.53 19.23 22.79 91.85 50.07 -64.27 -42.40 0.40 0.00 99.60 0.07 0.02 0.24 99.56 0.10 0.00 0.00 0.00 27 L H H 58.07 9.55 17.42 27.76 92.03 50.36 -63.99 -41.97 0.20 0.00 99.80 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 28 L H H 63.64 8.82 17.48 27.37 91.82 50.21 -64.37 -40.71 0.34 0.00 99.66 0.03 0.01 0.22 99.68 0.06 0.00 0.00 0.00 29 E H H 101.95 2.74 20.02 22.28 91.82 51.05 -64.11 -41.42 0.65 0.00 99.35 0.06 0.03 0.45 99.37 0.09 0.00 0.00 0.00 30 I H H 72.70 5.27 18.34 24.35 92.12 49.48 -64.66 -41.70 0.43 0.00 99.57 0.04 0.03 0.29 99.41 0.23 0.00 0.00 0.00 31 S H H 19.48 11.69 13.38 26.87 91.79 50.99 -64.09 -40.32 0.65 0.00 99.34 0.07 0.04 0.46 98.97 0.45 0.00 0.00 0.00 32 R H H 138.96 3.73 16.24 21.08 92.34 51.24 -65.27 -39.88 1.77 0.00 98.23 0.12 0.11 1.50 97.45 0.82 0.01 0.00 0.00 33 I H H 115.55 2.28 15.42 18.04 92.47 49.75 -66.54 -36.96 4.20 0.01 95.80 0.17 0.25 3.72 95.33 0.51 0.01 0.00 0.00 34 L H H 90.30 5.64 13.05 19.98 95.31 46.61 -87.62 -2.97 43.46 0.11 56.43 1.39 3.24 37.55 56.48 1.15 0.06 0.03 0.10 35 N C T 122.12 2.69 14.02 18.16 96.60 -117.20 56.34 40.16 87.56 0.13 12.31 6.80 6.98 72.89 11.51 1.65 0.00 0.05 0.11 36 T C T 67.85 6.80 12.28 20.75 97.82 143.31 -92.36 -2.42 92.49 0.44 7.07 21.39 29.90 41.73 3.60 2.84 0.00 0.18 0.36 37 G C C 55.27 2.25 17.83 20.32 96.11 -115.79 75.24 19.77 98.42 0.27 1.31 59.20 17.86 21.43 0.41 0.82 0.00 0.12 0.17 38 L C C 39.89 16.80 8.50 24.60 116.67 158.58 -81.89 138.72 99.07 0.54 0.39 91.61 7.04 0.32 0.26 0.08 0.00 0.13 0.55 39 D C C 83.99 2.35 19.54 20.90 120.04 -126.13 -81.50 160.90 99.48 0.16 0.35 99.08 0.40 0.12 0.24 0.02 0.00 0.04 0.09 40 M H H 117.64 6.84 13.20 21.63 91.73 -108.95 -58.91 -36.73 1.70 0.00 98.30 0.23 0.20 0.96 98.34 0.26 0.00 0.00 0.00 41 E H H 134.90 1.41 17.95 18.48 91.69 53.07 -64.58 -40.56 1.11 0.00 98.89 0.10 0.08 0.75 98.77 0.30 0.00 0.00 0.00 42 T H H 43.68 9.30 16.39 26.93 91.91 48.89 -65.15 -41.32 0.50 0.00 99.49 0.08 0.03 0.30 99.33 0.26 0.00 0.00 0.00 43 L H H 28.13 15.76 14.77 31.10 91.53 50.66 -63.48 -41.74 0.15 0.00 99.85 0.02 0.01 0.07 99.86 0.04 0.00 0.00 0.00 44 S H H 50.31 4.66 20.39 25.52 91.38 51.59 -63.69 -41.33 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 45 I H H 73.35 4.86 21.13 26.28 91.66 50.24 -64.06 -42.76 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 46 C H H 22.61 14.73 17.31 32.92 91.60 50.05 -63.75 -42.46 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 47 V H H 48.59 9.70 19.12 29.75 91.65 50.02 -63.64 -42.37 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 48 R H H 125.59 2.74 21.06 23.27 91.66 50.48 -63.93 -41.37 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 49 L H H 43.82 8.58 15.63 26.07 91.86 50.47 -64.25 -41.50 0.27 0.00 99.73 0.02 0.01 0.19 99.66 0.12 0.00 0.00 0.00 50 C H H 41.49 11.52 13.17 25.64 92.07 50.40 -65.30 -39.72 0.77 0.00 99.23 0.05 0.04 0.59 98.94 0.37 0.00 0.00 0.00 51 E H H 132.62 2.95 14.81 18.81 90.92 54.44 -66.15 -27.22 7.42 0.01 92.57 0.18 0.24 7.16 91.86 0.55 0.01 0.00 0.00 52 Q C T 126.19 1.97 13.90 16.28 94.00 54.31 -87.93 -0.08 81.35 0.02 18.64 0.35 1.34 78.88 18.79 0.61 0.00 0.00 0.02 53 G C T 56.75 2.01 14.63 17.07 97.96 -100.61 87.56 7.85 99.78 0.01 0.21 1.83 2.17 95.85 0.11 0.03 0.00 0.01 0.00 54 I C C 70.56 9.83 9.41 20.61 115.34 142.94 -84.58 136.61 99.37 0.41 0.22 91.16 7.75 0.31 0.16 0.04 0.00 0.09 0.49 55 N C C 86.20 4.88 15.74 21.68 105.96 -120.33 -83.76 106.28 99.73 0.06 0.21 97.94 1.67 0.18 0.14 0.02 0.00 0.02 0.04 56 P H H 68.07 10.12 12.48 23.88 93.49 -162.09 -63.09 -32.32 16.51 0.07 83.41 6.62 2.37 7.76 80.15 3.01 0.01 0.03 0.04 57 E H H 133.01 1.83 17.88 19.46 92.28 55.10 -65.44 -39.87 6.14 0.02 93.84 1.13 0.64 4.00 91.54 2.67 0.01 0.01 0.01 58 A H H 48.46 4.30 17.49 22.55 92.09 50.32 -65.20 -40.90 2.68 0.02 97.30 0.82 0.28 1.43 94.59 2.86 0.00 0.01 0.00 59 L H H 43.37 11.89 14.76 27.85 92.14 50.85 -64.24 -41.64 1.30 0.01 98.69 0.43 0.14 0.64 97.55 1.24 0.00 0.00 0.00 60 S H H 41.92 6.39 17.21 24.99 91.51 51.25 -63.19 -41.15 1.02 0.00 98.98 0.28 0.08 0.52 98.75 0.36 0.00 0.00 0.00 61 S H H 59.15 2.36 19.98 21.50 91.76 50.71 -64.59 -41.33 0.70 0.00 99.30 0.13 0.05 0.40 99.28 0.14 0.00 0.00 0.00 62 V H H 57.68 6.50 18.11 25.60 91.91 49.75 -64.48 -42.50 0.25 0.00 99.75 0.04 0.01 0.14 99.75 0.06 0.00 0.00 0.00 63 I H H 56.05 9.82 16.49 27.43 91.91 49.76 -63.98 -42.23 0.14 0.00 99.86 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 64 K H H 111.98 3.03 19.01 21.97 91.70 50.49 -63.53 -41.30 0.13 0.00 99.87 0.02 0.00 0.07 99.89 0.02 0.00 0.00 0.00 65 E H H 103.05 2.40 18.70 20.59 91.58 49.91 -64.65 -41.40 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 66 L H H 65.60 7.18 16.00 24.25 92.08 49.66 -65.05 -41.18 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.04 0.00 0.00 0.00 67 R H H 118.58 5.09 16.66 22.46 91.80 50.56 -63.91 -40.65 0.40 0.00 99.60 0.06 0.02 0.23 99.64 0.05 0.00 0.00 0.00 68 K H H 123.04 1.65 18.20 18.72 91.89 49.87 -64.86 -40.94 0.47 0.00 99.53 0.07 0.03 0.27 99.58 0.06 0.00 0.00 0.00 69 A H H 52.99 3.26 16.72 20.46 92.02 50.25 -64.27 -41.33 0.41 0.00 99.59 0.06 0.02 0.22 99.63 0.07 0.00 0.00 0.00 70 T H H 56.26 5.39 15.07 21.68 92.13 49.51 -65.19 -40.78 0.40 0.00 99.60 0.06 0.02 0.21 99.63 0.07 0.00 0.00 0.00 71 E H H 107.02 2.22 16.64 18.72 91.93 50.15 -64.73 -40.74 0.35 0.00 99.65 0.05 0.02 0.19 99.67 0.07 0.00 0.00 0.00 72 A H H 60.44 1.89 15.94 17.45 91.91 50.32 -64.26 -41.22 0.52 0.00 99.48 0.07 0.03 0.29 99.51 0.10 0.00 0.00 0.00 73 L H H 86.60 2.94 14.69 18.19 92.14 49.53 -65.37 -40.62 0.81 0.00 99.19 0.13 0.06 0.45 99.22 0.14 0.00 0.00 0.00 74 K H H 117.62 2.33 14.78 17.37 92.01 50.43 -64.70 -40.50 1.40 0.00 98.60 0.26 0.11 0.78 98.65 0.20 0.00 0.00 0.00 75 A H H 60.09 1.81 13.70 15.62 92.07 51.09 -64.12 -40.32 2.59 0.01 97.41 0.54 0.23 1.47 97.34 0.41 0.00 0.00 0.00 76 A H H 63.52 1.88 12.84 15.10 92.50 51.07 -65.24 -39.03 4.66 0.01 95.32 1.06 0.49 2.71 94.97 0.75 0.00 0.01 0.01 77 E H H 120.43 1.90 11.87 14.36 93.11 51.44 -66.98 -36.71 9.82 0.04 90.14 2.23 1.18 5.89 89.44 1.21 0.01 0.02 0.02 78 N H H 114.21 1.40 10.58 12.48 94.82 51.81 -72.83 -25.53 23.86 0.13 76.02 6.34 2.90 14.24 74.63 1.77 0.01 0.05 0.07 79 M H H 139.22 1.30 9.25 11.29 96.95 58.02 -77.56 -19.56 38.99 0.41 60.60 14.59 6.39 18.47 58.06 2.07 0.02 0.15 0.24 80 T C C 107.82 1.33 8.67 10.88 101.24 60.12 -85.14 -2.95 63.61 0.47 35.93 38.76 2.62 20.07 36.62 1.47 0.00 0.17 0.28 81 S C C 85.02 2.08 10.11 13.57 107.20 78.13 -85.49 84.31 99.91 0.02 0.07 99.69 0.11 0.14 0.05 0.00 0.00 0.01 0.01