# 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 K C C 126.85 4.51 13.55 19.47 112.68 -138.58 -82.67 133.81 99.61 0.02 0.36 99.48 0.08 0.10 0.32 0.01 0.00 0.01 0.01 1 S C C 59.92 4.26 11.04 16.84 112.26 -122.39 -79.01 150.95 63.81 0.25 35.94 58.68 0.69 3.42 36.31 0.70 0.00 0.08 0.13 2 A H H 66.89 3.48 10.60 15.71 94.92 -117.90 -64.86 -36.67 17.87 0.12 82.01 10.45 2.79 4.51 80.99 1.16 0.00 0.04 0.05 3 I H H 102.55 2.50 12.08 15.53 93.12 52.59 -65.76 -40.17 6.83 0.07 93.10 3.58 1.07 2.25 91.96 1.09 0.00 0.03 0.02 4 K H H 116.65 2.39 13.72 16.72 92.37 51.24 -65.48 -40.24 4.18 0.05 95.77 2.33 0.61 1.38 94.60 1.03 0.00 0.03 0.02 5 R H H 128.77 3.26 14.39 18.61 92.24 50.93 -65.26 -40.42 3.40 0.04 96.56 1.80 0.47 1.16 95.94 0.60 0.00 0.02 0.01 6 V H H 73.44 3.85 15.09 20.05 92.37 50.13 -65.40 -41.24 2.32 0.02 97.66 1.12 0.28 0.78 97.57 0.25 0.00 0.01 0.00 7 K H H 113.11 2.39 17.30 19.52 92.25 50.03 -64.74 -41.37 2.12 0.01 97.87 0.90 0.22 0.76 97.92 0.19 0.00 0.00 0.00 8 T H H 62.09 4.22 16.81 21.92 92.40 49.43 -65.29 -41.29 1.83 0.01 98.16 0.68 0.19 0.71 98.27 0.14 0.00 0.00 0.00 9 T H H 56.88 6.90 16.25 24.41 92.50 50.08 -65.30 -40.87 1.28 0.01 98.72 0.42 0.13 0.51 98.83 0.10 0.00 0.00 0.00 10 E H H 105.17 3.10 18.54 21.71 92.12 50.24 -65.18 -40.85 0.87 0.00 99.13 0.21 0.08 0.39 99.23 0.09 0.00 0.00 0.00 11 K H H 117.02 2.23 19.96 21.35 92.31 49.51 -64.78 -41.21 0.73 0.00 99.27 0.15 0.06 0.35 99.37 0.08 0.00 0.00 0.00 12 A H H 33.99 8.77 16.17 26.49 92.10 50.40 -64.45 -41.06 0.62 0.00 99.38 0.11 0.05 0.30 99.46 0.07 0.00 0.00 0.00 13 E H H 91.78 7.06 18.03 26.09 91.72 50.76 -64.09 -40.63 0.65 0.00 99.35 0.11 0.05 0.34 99.43 0.08 0.00 0.00 0.00 14 A H H 59.65 2.41 20.62 21.95 91.88 50.21 -64.32 -41.01 0.65 0.00 99.35 0.09 0.04 0.36 99.42 0.08 0.00 0.00 0.00 15 R H H 122.64 3.90 20.40 24.51 92.17 49.62 -64.92 -40.83 0.84 0.00 99.15 0.11 0.06 0.51 99.24 0.08 0.00 0.00 0.00 16 N H H 34.47 14.49 15.52 30.48 92.46 50.74 -65.18 -40.09 1.34 0.00 98.66 0.21 0.09 0.79 98.81 0.09 0.00 0.00 0.00 17 I H H 90.89 4.32 20.84 25.40 91.80 50.66 -64.31 -41.28 0.52 0.00 99.48 0.09 0.04 0.26 99.55 0.06 0.00 0.00 0.00 18 S H H 63.20 2.16 22.83 23.30 91.95 49.80 -64.57 -41.43 0.42 0.00 99.58 0.07 0.03 0.22 99.63 0.05 0.00 0.00 0.00 19 Q H H 45.36 13.33 18.52 32.22 91.89 49.15 -65.25 -41.70 0.36 0.00 99.64 0.05 0.03 0.21 99.67 0.05 0.00 0.00 0.00 20 K H H 66.51 14.97 18.50 32.91 91.19 51.81 -62.39 -41.94 0.31 0.00 99.69 0.04 0.02 0.18 99.72 0.04 0.00 0.00 0.00 21 S H H 61.68 2.26 24.20 24.79 91.31 50.24 -63.71 -41.13 0.46 0.00 99.54 0.06 0.03 0.27 99.60 0.04 0.00 0.00 0.00 22 A H H 47.83 5.55 22.58 28.46 91.59 50.11 -64.69 -41.16 0.43 0.00 99.57 0.04 0.02 0.27 99.62 0.04 0.00 0.00 0.00 23 M H H 14.83 21.38 16.15 37.43 91.44 50.40 -64.22 -42.19 0.23 0.00 99.77 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 24 R H H 115.68 7.57 22.68 30.82 91.29 51.39 -62.69 -41.77 0.15 0.00 99.85 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 25 T H H 75.55 2.06 25.34 25.32 91.35 49.47 -64.14 -41.96 0.15 0.00 99.85 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 26 A H H 15.08 14.76 19.76 35.31 91.39 50.22 -64.08 -42.41 0.15 0.00 99.85 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 27 V H H 20.26 18.89 18.84 37.37 91.40 50.09 -63.26 -42.85 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 28 K H H 116.17 2.53 25.43 27.01 91.34 50.32 -63.38 -41.85 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.03 0.00 0.00 0.00 29 N H H 78.93 4.54 24.44 28.86 91.59 49.19 -65.12 -40.70 0.41 0.00 99.59 0.03 0.01 0.28 99.63 0.05 0.00 0.00 0.00 30 A H H 5.70 21.63 15.98 37.90 91.68 51.17 -64.09 -42.26 0.35 0.00 99.65 0.04 0.02 0.21 99.66 0.07 0.00 0.00 0.00 31 K H H 95.99 8.79 22.41 31.43 91.48 51.07 -63.11 -41.72 0.69 0.00 99.31 0.09 0.04 0.43 99.27 0.16 0.00 0.00 0.00 32 T H H 75.95 1.77 23.87 23.22 91.83 49.62 -64.40 -41.63 1.64 0.00 98.36 0.19 0.13 1.15 98.16 0.36 0.00 0.00 0.00 33 A H H 16.80 10.82 15.67 28.71 91.74 50.70 -64.24 -41.01 2.75 0.01 97.24 0.56 0.30 1.64 96.83 0.66 0.00 0.00 0.00 34 V H H 41.26 14.92 13.37 28.27 92.42 50.79 -65.44 -39.86 5.69 0.03 94.27 1.20 0.61 3.72 93.10 1.33 0.01 0.01 0.01 35 S H H 87.09 1.42 17.01 18.00 92.41 51.50 -68.89 -32.85 11.90 0.03 88.07 1.05 1.13 9.39 87.13 1.26 0.01 0.01 0.02 36 N C H 118.83 1.39 15.38 16.07 97.91 40.26 -91.98 -4.85 54.42 0.07 45.51 2.94 7.52 41.48 46.36 1.61 0.01 0.02 0.07 37 N C C 95.28 4.82 13.83 20.08 101.93 -94.19 61.64 57.34 97.05 0.07 2.88 54.88 4.65 37.84 1.67 0.87 0.00 0.03 0.06 38 A H G 51.74 9.60 10.63 21.49 99.00 168.85 -66.10 -35.12 30.78 0.16 69.05 16.01 3.63 10.36 17.61 52.23 0.00 0.09 0.07 39 D H G 122.03 1.00 17.68 17.33 93.27 54.20 -66.47 -27.72 26.95 0.08 72.97 3.22 2.96 19.11 21.38 53.23 0.00 0.04 0.05 40 N H G 74.06 6.50 15.20 23.06 96.67 45.92 -91.08 -3.71 23.79 0.08 76.13 5.31 2.12 14.73 24.92 52.82 0.00 0.04 0.04 41 K H H 44.18 18.04 11.60 29.03 93.04 96.62 -61.33 -40.88 3.52 0.01 96.47 1.57 0.47 1.26 95.02 1.67 0.00 0.00 0.00 42 N H H 102.63 3.81 20.40 25.16 91.83 51.76 -63.68 -40.31 1.23 0.00 98.77 0.23 0.08 0.71 97.97 1.01 0.00 0.00 0.00 43 E H H 115.33 1.83 23.79 23.63 91.60 48.99 -65.28 -41.07 0.77 0.00 99.22 0.13 0.05 0.48 98.35 0.99 0.00 0.00 0.00 44 L H H 22.33 16.19 18.38 34.91 91.89 49.73 -64.91 -42.79 0.56 0.00 99.44 0.09 0.04 0.33 99.21 0.33 0.00 0.00 0.00 45 V H H 16.07 20.59 18.46 38.56 91.56 50.79 -62.87 -42.97 0.23 0.00 99.77 0.04 0.01 0.11 99.79 0.05 0.00 0.00 0.00 46 S H H 58.37 3.66 25.36 28.64 91.31 50.78 -63.37 -41.87 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 47 L H H 71.75 5.50 25.13 30.82 91.59 49.24 -64.36 -41.82 0.12 0.00 99.88 0.01 0.00 0.08 99.88 0.03 0.00 0.00 0.00 48 A H H 3.49 23.30 18.27 41.79 91.43 50.32 -63.62 -43.22 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 49 V H H 38.78 15.19 22.43 37.05 91.42 50.56 -63.10 -42.36 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 50 K H H 122.71 1.95 26.81 27.30 91.36 50.56 -63.61 -41.99 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 51 L H H 39.74 12.45 22.88 35.61 91.62 49.04 -64.56 -42.37 0.12 0.00 99.88 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 52 V H H 4.84 24.58 17.55 42.21 91.36 49.40 -63.74 -42.79 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 53 D H H 65.91 6.96 23.87 31.12 91.38 50.98 -63.11 -41.76 0.26 0.00 99.74 0.03 0.01 0.14 99.79 0.03 0.00 0.00 0.00 54 K H H 105.82 2.89 24.94 26.86 91.87 49.49 -64.90 -40.95 0.37 0.00 99.63 0.02 0.02 0.26 99.61 0.09 0.00 0.00 0.00 55 A H H 7.59 16.46 16.16 33.98 91.86 50.94 -64.26 -40.91 0.72 0.00 99.28 0.06 0.04 0.50 99.15 0.24 0.00 0.00 0.00 56 A H H 28.29 13.57 15.40 29.56 91.87 52.04 -63.77 -41.08 2.23 0.01 97.76 0.19 0.12 1.77 97.30 0.61 0.01 0.00 0.00 57 Q H H 140.21 1.20 19.46 19.54 90.89 53.50 -64.94 -30.37 9.84 0.02 90.14 0.26 0.37 9.60 89.20 0.54 0.03 0.00 0.01 58 S C T 59.44 5.80 14.73 22.04 93.60 53.09 -86.48 -0.46 92.78 0.02 7.20 0.29 2.89 89.39 6.99 0.41 0.00 0.00 0.02 59 N C T 125.35 2.41 17.44 20.77 93.54 -117.49 66.24 25.49 99.76 0.00 0.23 0.29 3.60 95.98 0.09 0.04 0.00 0.00 0.00 60 L C S 50.81 12.99 15.97 29.62 95.90 123.60 -82.66 -28.52 99.84 0.12 0.04 4.71 94.27 0.92 0.01 0.01 0.00 0.04 0.04 61 I C S 12.89 21.61 11.46 32.87 133.72 24.19 -136.81 150.18 97.38 2.56 0.06 8.59 88.79 0.40 0.02 0.01 0.00 0.45 1.74 62 H C C 104.18 3.25 21.47 23.97 116.03 -103.26 -70.41 149.75 99.62 0.32 0.06 99.25 0.44 0.03 0.03 0.01 0.00 0.11 0.12 63 S H H 68.37 8.99 13.41 23.64 91.61 -113.70 -58.12 -38.48 15.48 0.03 84.49 1.19 1.50 12.57 78.16 6.53 0.02 0.01 0.02 64 N H H 115.39 1.08 20.50 19.32 91.67 52.74 -64.88 -38.61 13.32 0.02 86.65 0.80 1.00 11.31 81.07 5.78 0.02 0.01 0.02 65 K H H 81.09 7.66 19.28 27.62 92.54 48.35 -66.86 -39.45 4.95 0.03 95.02 1.20 0.64 2.93 90.64 4.55 0.00 0.01 0.01 66 A H H 5.50 21.20 12.18 33.66 91.42 52.26 -62.69 -42.80 1.54 0.01 98.45 0.41 0.18 0.78 97.73 0.89 0.00 0.00 0.00 67 D H H 79.50 4.23 21.55 25.98 91.54 51.59 -63.75 -40.79 0.93 0.00 99.06 0.22 0.09 0.47 98.70 0.52 0.00 0.00 0.00 68 R H H 137.36 1.89 22.84 23.08 92.03 49.79 -64.82 -41.70 0.63 0.00 99.36 0.11 0.05 0.34 99.16 0.33 0.00 0.00 0.00 69 I H H 37.62 14.75 18.05 32.97 91.99 48.67 -65.06 -41.79 0.66 0.00 99.33 0.11 0.05 0.37 99.20 0.27 0.00 0.00 0.00 70 K H H 64.15 15.34 17.64 32.43 91.79 51.74 -62.58 -42.04 1.49 0.00 98.51 0.26 0.12 0.86 98.30 0.46 0.00 0.00 0.00 71 S H H 61.08 2.19 21.91 22.60 91.36 50.63 -63.71 -40.67 4.86 0.01 95.14 0.64 0.30 3.38 94.18 1.49 0.00 0.00 0.00 72 Q H H 89.30 4.48 19.77 24.67 92.24 50.24 -65.65 -40.09 9.59 0.03 90.37 1.18 0.69 7.21 88.24 2.64 0.01 0.01 0.01 73 L H H 22.46 18.13 12.74 30.86 92.50 51.31 -65.91 -40.00 12.29 0.12 87.59 3.27 1.63 7.30 83.19 4.47 0.02 0.07 0.05 74 M H H 99.51 5.98 16.07 23.14 92.75 53.43 -66.68 -33.90 24.93 0.64 74.43 9.96 3.95 11.55 69.59 4.30 0.03 0.34 0.29 75 T H H 101.04 1.84 15.25 17.04 94.60 56.50 -72.68 -23.76 45.65 1.30 53.05 19.38 5.29 21.58 49.09 3.36 0.03 0.63 0.64 76 A C C 58.31 8.06 10.16 19.37 99.72 67.80 -79.49 -10.97 68.64 0.46 30.90 47.63 1.76 17.49 31.04 1.60 0.00 0.16 0.32 77 N C C 107.53 5.06 13.52 20.05 104.13 81.41 -80.98 56.53 99.97 0.01 0.02 99.86 0.04 0.08 0.01 0.00 0.00 0.00 0.00