# 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 137.54 3.64 12.91 17.95 112.98 -157.89 -93.00 128.19 99.90 0.06 0.04 99.82 0.07 0.04 0.02 0.00 0.00 0.03 0.01 1 A C C 73.07 4.73 9.31 15.64 109.35 -129.11 -81.19 129.84 80.47 2.70 16.83 76.55 1.13 4.04 13.53 2.14 0.00 1.45 1.16 2 V C C 96.40 4.30 9.08 14.94 105.41 -135.01 -84.14 24.82 71.22 3.64 25.14 53.51 9.23 7.92 21.28 4.59 0.01 2.13 1.34 3 T C C 85.92 3.86 10.30 15.63 105.51 61.05 -84.87 36.16 69.69 3.38 26.93 52.55 8.93 7.65 22.24 5.39 0.01 2.06 1.17 4 V C C 87.81 5.06 9.90 16.45 101.94 65.05 -81.82 -14.27 58.86 2.79 38.35 39.39 10.89 9.14 30.48 7.49 0.02 1.49 1.12 5 H C C 127.74 3.78 10.80 15.95 100.56 59.19 -79.31 -16.41 59.09 1.92 38.99 32.48 12.16 15.31 29.59 8.56 0.04 0.94 0.92 6 S C C 69.87 4.62 10.11 16.27 101.77 62.97 -85.46 -0.37 64.77 1.49 33.74 34.01 12.72 18.75 23.65 9.33 0.02 0.68 0.84 7 K C C 139.21 3.26 10.54 15.45 101.98 84.39 -81.10 13.50 73.26 1.35 25.39 34.88 17.23 21.78 16.76 7.94 0.01 0.59 0.81 8 R C C 173.99 1.76 11.52 14.13 101.64 69.15 -88.39 -5.42 81.01 1.92 17.08 37.49 24.74 19.42 10.80 5.60 0.01 0.81 1.13 9 L C S 65.96 9.96 7.68 18.46 118.59 94.29 -99.45 137.68 97.64 0.76 1.60 43.87 52.67 1.15 1.34 0.26 0.00 0.22 0.49 10 P C C 71.53 3.20 13.71 18.05 113.26 -105.24 -64.95 148.47 93.37 0.47 6.17 90.10 1.72 1.80 5.39 0.60 0.00 0.18 0.22 11 S H H 77.29 3.72 11.58 17.09 93.32 -112.97 -60.54 -36.94 19.22 0.19 80.59 8.54 4.00 7.55 76.81 2.91 0.01 0.07 0.10 12 Q H H 116.97 2.59 14.34 17.49 93.05 55.68 -66.14 -36.16 9.31 0.11 90.57 2.98 1.45 4.92 88.04 2.49 0.02 0.05 0.04 13 V H H 61.47 5.21 14.15 20.95 93.15 50.41 -66.82 -40.93 3.59 0.08 96.33 1.69 0.51 1.51 94.51 1.72 0.00 0.04 0.02 14 V H H 50.75 6.77 14.45 23.17 92.08 51.69 -64.19 -42.46 1.24 0.03 98.74 0.58 0.14 0.48 98.33 0.45 0.00 0.02 0.00 15 W H H 111.29 5.62 16.45 23.36 91.95 50.34 -64.00 -41.84 0.72 0.01 99.27 0.25 0.06 0.33 99.09 0.25 0.00 0.01 0.00 16 I H H 77.12 5.06 17.15 23.06 91.99 49.91 -64.47 -41.84 0.41 0.00 99.58 0.12 0.03 0.21 99.51 0.13 0.00 0.00 0.00 17 R H H 113.11 5.03 18.33 23.99 91.93 50.18 -64.64 -41.63 0.30 0.00 99.70 0.07 0.02 0.15 99.69 0.07 0.00 0.00 0.00 18 R H H 99.63 8.17 18.26 27.05 92.03 49.81 -64.84 -41.11 0.28 0.00 99.72 0.04 0.01 0.17 99.72 0.05 0.00 0.00 0.00 19 L H H 57.70 8.70 17.74 27.63 91.85 50.41 -64.55 -40.93 0.24 0.00 99.76 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 20 R H H 114.76 4.19 20.23 24.46 91.78 50.78 -64.11 -41.66 0.39 0.00 99.61 0.04 0.02 0.26 99.63 0.05 0.00 0.00 0.00 21 V H H 53.58 6.09 19.14 26.45 91.69 49.57 -64.11 -42.37 0.45 0.00 99.55 0.06 0.02 0.29 99.56 0.07 0.00 0.00 0.00 22 L H H 43.71 11.94 17.61 30.41 91.84 50.77 -63.99 -41.30 0.25 0.00 99.75 0.04 0.01 0.14 99.76 0.05 0.00 0.00 0.00 23 R H H 104.29 7.89 18.77 27.33 91.86 51.24 -63.98 -40.89 0.18 0.00 99.82 0.02 0.01 0.11 99.82 0.05 0.00 0.00 0.00 24 R H H 124.41 2.75 20.47 22.61 91.83 49.96 -64.58 -41.45 0.24 0.00 99.76 0.02 0.01 0.16 99.73 0.07 0.00 0.00 0.00 25 L H H 49.25 7.68 17.12 26.40 91.72 49.87 -64.33 -41.88 0.44 0.00 99.56 0.04 0.02 0.32 99.46 0.16 0.00 0.00 0.00 26 L H H 34.74 11.73 13.62 26.90 91.94 50.38 -64.73 -40.46 1.46 0.00 98.54 0.15 0.10 1.03 98.12 0.59 0.00 0.00 0.00 27 A H H 58.47 4.50 14.77 20.55 92.06 52.07 -65.27 -36.70 7.86 0.01 92.12 0.64 0.44 6.57 90.55 1.77 0.01 0.01 0.01 28 K H H 143.00 1.75 15.37 17.23 92.28 51.47 -68.04 -32.56 22.65 0.04 77.31 1.33 1.34 19.77 75.67 1.83 0.01 0.01 0.02 29 Y C H 118.49 6.28 12.32 19.95 99.69 40.58 -96.15 -2.91 57.57 0.35 42.09 11.73 9.80 35.43 40.40 2.27 0.02 0.11 0.25 30 R C C 170.57 2.42 15.55 18.64 100.06 -118.83 45.67 50.34 96.47 0.42 3.11 72.69 3.92 20.10 2.26 0.61 0.00 0.20 0.22 31 I C C 54.14 14.58 7.74 21.77 115.67 168.72 -93.67 135.85 98.79 0.60 0.62 94.60 3.67 0.59 0.46 0.11 0.00 0.22 0.35 32 D C C 86.43 2.50 16.39 18.57 116.98 -114.26 -79.64 149.85 98.88 0.33 0.78 97.92 0.78 0.36 0.57 0.08 0.00 0.11 0.18 33 K H H 133.11 5.16 11.84 18.99 92.99 -118.50 -60.70 -36.07 12.51 0.06 87.42 4.06 2.05 6.22 85.27 2.33 0.01 0.03 0.03 34 H H H 137.17 1.20 15.79 16.02 92.53 53.68 -65.15 -39.52 8.87 0.04 91.08 1.46 0.94 6.34 88.33 2.88 0.01 0.02 0.02 35 L H H 61.54 7.24 15.12 23.93 92.74 48.44 -66.90 -40.31 4.40 0.05 95.55 1.38 0.51 2.42 92.62 3.03 0.00 0.03 0.01 36 Y H H 43.21 15.70 12.94 28.90 91.96 52.43 -62.78 -42.69 1.27 0.02 98.72 0.45 0.14 0.59 98.16 0.65 0.00 0.01 0.00 37 H H H 95.98 4.52 18.68 23.87 91.74 51.02 -63.79 -41.29 0.80 0.01 99.19 0.22 0.07 0.42 98.93 0.36 0.00 0.00 0.00 38 V H H 75.05 2.91 20.51 22.94 91.83 49.93 -64.56 -42.02 0.61 0.01 99.39 0.13 0.05 0.36 99.10 0.35 0.00 0.00 0.00 39 L H H 24.39 14.72 16.21 31.80 92.15 50.12 -64.70 -42.46 0.69 0.01 99.30 0.11 0.06 0.44 98.92 0.46 0.00 0.00 0.00 40 Y H H 62.02 14.11 16.62 30.91 92.17 50.18 -64.63 -40.79 1.84 0.01 98.14 0.26 0.15 1.31 97.24 1.03 0.01 0.01 0.00 41 K H H 125.88 2.45 20.30 22.31 91.93 50.83 -65.15 -38.60 7.42 0.03 92.55 0.62 0.53 6.05 91.19 1.57 0.02 0.01 0.01 42 E H H 97.03 5.10 18.24 24.00 92.69 49.92 -69.61 -32.49 19.21 0.14 80.65 2.47 2.27 14.54 78.14 2.39 0.06 0.05 0.08 43 S H H 21.91 16.88 11.17 27.65 96.84 63.80 -74.68 -14.93 48.26 1.13 50.61 18.44 8.01 23.29 44.77 4.26 0.08 0.46 0.69 44 K C T 133.85 4.55 15.98 21.83 101.20 70.20 -71.94 57.48 64.96 1.59 33.46 14.83 11.92 38.23 26.19 7.01 0.11 0.70 1.01 45 G C T 49.63 3.58 15.01 19.36 102.98 18.61 64.42 -13.02 78.04 0.65 21.31 11.06 21.66 45.87 12.08 8.48 0.02 0.27 0.56 46 N C T 98.39 5.93 14.37 21.30 99.22 -57.50 -54.60 26.78 72.59 1.11 26.30 24.69 18.87 29.49 10.96 14.66 0.02 0.43 0.88 47 A C T 50.41 8.21 14.73 24.28 95.56 122.70 -71.91 -24.56 60.05 1.37 38.59 17.13 14.74 28.66 13.35 24.51 0.07 0.61 0.93 48 F C T 59.32 15.32 11.39 26.29 101.18 56.04 -92.01 24.43 57.49 2.48 40.03 19.46 12.15 26.62 13.97 25.08 0.11 1.17 1.44 49 K C C 135.69 3.72 16.65 21.33 96.59 107.63 -78.70 -20.00 64.69 1.85 33.47 29.20 18.39 17.74 13.04 19.74 0.03 0.84 1.03 50 H C C 96.17 4.44 16.77 22.09 123.16 57.99 -114.14 142.49 81.82 3.72 14.46 46.37 31.58 4.20 11.46 2.72 0.01 1.01 2.65 51 K H H 106.95 10.70 13.24 24.53 93.29 -130.07 -60.19 -37.66 5.30 0.04 94.65 1.48 1.13 2.57 93.73 1.05 0.01 0.01 0.02 52 R H H 150.48 2.50 18.19 20.97 91.97 54.72 -64.35 -40.13 2.78 0.02 97.21 0.54 0.31 1.71 96.31 1.12 0.00 0.01 0.00 53 A H H 35.76 5.52 17.56 24.71 91.85 50.26 -64.84 -41.23 1.41 0.01 98.58 0.41 0.15 0.73 97.63 1.07 0.00 0.01 0.00 54 L H H 17.36 16.76 14.61 32.12 91.96 50.72 -64.13 -42.74 0.73 0.01 99.26 0.23 0.07 0.34 98.96 0.39 0.00 0.00 0.00 55 V H H 45.85 10.12 17.69 29.02 91.74 50.31 -63.79 -41.89 0.73 0.01 99.26 0.20 0.06 0.35 99.17 0.21 0.00 0.00 0.00 56 E H H 104.21 2.32 20.58 21.93 91.78 50.43 -64.18 -41.29 0.72 0.00 99.28 0.15 0.06 0.39 99.16 0.24 0.00 0.00 0.00 57 H H H 69.57 7.92 16.82 26.09 92.37 49.70 -65.53 -41.05 1.18 0.01 98.81 0.22 0.09 0.70 98.52 0.45 0.00 0.00 0.00 58 I H H 38.27 14.79 13.45 28.57 92.52 50.24 -65.64 -40.84 2.46 0.01 97.52 0.41 0.20 1.61 96.99 0.77 0.00 0.01 0.00 59 I H H 98.74 5.07 14.68 20.99 93.01 49.10 -68.19 -35.32 9.97 0.06 89.97 1.45 0.90 7.08 89.70 0.81 0.01 0.02 0.03 60 Q H H 135.36 1.39 14.42 15.61 94.57 52.53 -75.41 -22.20 38.65 0.18 61.17 12.64 1.08 22.37 62.96 0.77 0.00 0.05 0.12 61 A C C 53.50 9.66 11.73 22.10 100.20 75.20 -72.13 -20.71 99.74 0.02 0.24 99.29 0.15 0.28 0.25 0.01 0.00 0.01 0.01