# 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 125.17 4.37 11.19 17.14 117.77 -164.25 -97.09 135.21 99.82 0.15 0.03 99.77 0.09 0.03 0.01 0.00 0.00 0.07 0.02 1 A C C 75.66 3.94 8.49 14.31 115.29 -136.89 -88.88 142.23 86.91 4.42 8.67 82.90 1.26 3.61 6.03 1.78 0.00 2.52 1.90 2 K C C 150.12 2.28 8.94 13.01 114.43 -133.09 -91.44 135.94 82.14 4.78 13.08 61.91 12.15 7.37 9.96 3.80 0.00 2.75 2.05 3 S C C 68.12 4.70 7.88 14.38 115.86 -120.15 -83.72 145.30 78.01 2.82 19.17 63.12 8.17 6.27 14.57 5.05 0.00 1.49 1.33 4 K C H 160.25 1.64 11.21 13.71 97.50 -133.68 -73.32 -22.19 59.58 1.22 39.20 23.39 14.90 22.18 31.14 7.15 0.04 0.57 0.63 5 N C H 95.61 4.26 10.26 16.12 102.58 57.11 -94.64 20.66 57.95 1.07 40.98 24.68 12.98 21.60 32.88 6.75 0.04 0.46 0.61 6 H H H 107.29 5.83 10.51 17.82 103.65 125.21 -83.92 -1.48 40.52 1.02 58.46 26.56 8.45 7.15 52.03 4.88 0.01 0.44 0.48 7 T H H 80.05 3.93 12.80 17.85 100.31 89.50 -78.00 -30.64 32.24 0.80 66.97 19.81 6.23 7.79 61.25 4.20 0.02 0.39 0.31 8 A H H 61.13 4.22 13.16 18.57 97.02 55.59 -72.05 -33.34 24.73 0.61 74.66 13.98 5.40 7.00 69.15 3.92 0.02 0.30 0.23 9 H H H 99.61 5.10 13.03 19.47 96.68 63.14 -70.32 -37.35 20.28 0.48 79.24 10.57 4.52 6.75 74.26 3.45 0.02 0.23 0.19 10 N H H 82.66 4.47 14.08 19.57 96.32 52.03 -70.30 -35.86 19.97 0.44 79.59 10.91 3.62 6.75 75.19 3.12 0.02 0.22 0.17 11 Q H H 97.44 4.60 14.23 19.83 94.57 54.42 -68.78 -36.08 16.40 0.34 83.26 8.03 3.23 6.04 79.80 2.58 0.02 0.17 0.13 12 T H H 66.43 5.26 13.72 20.28 95.65 52.64 -69.27 -37.50 17.78 0.38 81.84 9.48 3.14 5.77 79.31 1.96 0.01 0.18 0.14 13 R H H 130.33 2.74 15.30 18.42 93.69 53.42 -66.95 -39.88 12.50 0.31 87.20 5.72 2.44 4.90 84.93 1.72 0.03 0.15 0.11 14 K H H 97.51 3.75 14.39 19.18 93.32 51.73 -66.54 -39.98 8.03 0.24 91.72 3.54 1.54 3.62 89.35 1.71 0.04 0.12 0.08 15 A H H 39.39 6.78 11.31 20.12 92.69 52.37 -65.54 -40.57 5.70 0.17 94.13 2.42 0.87 2.77 91.23 2.53 0.03 0.10 0.05 16 H H H 125.83 2.57 12.90 16.32 94.19 48.79 -70.18 -36.90 7.00 0.23 92.77 2.23 1.02 4.18 88.78 3.50 0.06 0.14 0.08 17 R H H 166.05 1.38 13.04 14.27 96.57 46.55 -77.91 -33.79 12.33 0.19 87.48 1.94 1.70 9.01 84.18 2.89 0.09 0.09 0.10 18 N H H 99.19 3.14 11.46 15.68 100.08 30.69 -101.08 -0.80 31.77 0.19 68.03 3.07 4.84 24.04 66.34 1.46 0.07 0.06 0.13 19 G C T 53.57 2.33 11.92 15.47 97.13 -115.91 76.63 10.70 97.58 0.59 1.83 33.80 28.85 35.11 0.64 1.06 0.00 0.28 0.26 20 I C C 88.46 6.28 8.40 16.50 118.35 132.20 -95.26 137.64 93.84 4.25 1.90 64.36 24.87 4.29 0.69 1.15 0.00 1.73 2.91 21 K C C 150.52 1.73 12.91 15.47 116.64 -136.27 -93.00 139.50 96.39 2.42 1.19 76.77 17.37 2.07 0.47 0.66 0.00 1.01 1.64 22 K C C 130.89 5.74 10.01 17.64 114.72 -107.99 -75.87 137.26 99.25 0.53 0.22 81.97 16.92 0.43 0.09 0.10 0.00 0.21 0.28 23 P C C 67.58 7.50 8.29 17.45 113.70 -108.19 -64.50 148.68 95.47 0.58 3.95 85.79 5.24 4.32 0.84 3.15 0.00 0.25 0.40 24 K C C 170.69 1.02 11.05 12.21 98.40 -126.45 -74.43 -17.16 86.65 0.97 12.38 52.81 20.16 12.34 2.09 11.40 0.00 0.39 0.81 25 T C C 100.61 2.17 9.70 13.09 106.29 61.14 -97.30 -7.78 80.99 1.09 17.92 30.88 29.66 20.01 2.44 15.78 0.00 0.46 0.78 26 Y C C 153.00 4.15 9.13 14.87 104.65 51.27 -91.09 42.37 82.98 1.14 15.88 46.70 18.75 16.35 2.44 14.47 0.00 0.54 0.75 27 K C C 130.30 4.27 9.93 15.90 106.75 107.51 -85.77 75.28 88.83 1.52 9.65 59.16 19.42 9.48 2.62 7.29 0.00 0.62 1.40 28 Y C C 108.79 7.09 8.69 17.21 112.62 77.36 -100.83 114.29 93.86 0.91 5.24 66.78 24.58 2.42 2.32 2.60 0.00 0.29 1.01 29 P H G 101.03 2.30 12.56 16.04 95.16 -153.77 -63.90 -28.44 28.99 0.34 70.67 7.49 3.90 15.36 3.29 69.68 0.00 0.21 0.08 30 S H G 76.88 2.95 12.09 16.27 93.99 63.07 -74.85 -12.12 28.80 0.25 70.95 4.17 3.41 18.70 3.34 70.17 0.00 0.15 0.06 31 L H G 58.62 11.85 8.39 20.63 95.94 58.84 -91.13 -2.17 33.11 0.45 66.44 10.65 5.43 14.13 2.35 67.07 0.00 0.26 0.12 32 K C T 142.43 2.98 10.88 16.39 111.28 120.50 -64.01 133.48 97.16 0.34 2.49 4.47 4.14 88.85 0.69 1.41 0.00 0.14 0.32 33 G C T 66.57 0.50 14.20 12.75 94.97 18.14 82.87 0.16 99.06 0.12 0.82 2.59 6.08 90.43 0.12 0.65 0.00 0.07 0.05 34 V C C 53.55 11.03 6.89 18.50 119.91 120.58 -81.74 146.14 97.56 2.18 0.26 65.83 30.62 0.40 0.13 0.09 0.00 0.39 2.54 35 D C C 80.49 2.86 13.45 17.09 115.29 -104.95 -69.47 148.40 99.63 0.32 0.05 99.07 0.60 0.02 0.03 0.00 0.00 0.07 0.21 36 A H H 75.37 3.02 12.17 16.66 91.59 -116.76 -58.73 -37.20 2.46 0.00 97.54 0.16 0.19 2.01 96.90 0.74 0.00 0.00 0.00 37 K H H 133.31 2.07 14.60 16.75 91.63 53.82 -64.82 -40.26 1.53 0.00 98.47 0.09 0.09 1.31 97.62 0.90 0.00 0.00 0.00 38 F H H 89.40 5.29 13.72 20.35 92.23 48.84 -66.19 -40.72 0.44 0.00 99.56 0.07 0.03 0.27 98.87 0.75 0.00 0.00 0.00 39 K H H 89.18 5.54 14.73 21.66 91.95 52.09 -63.69 -41.99 0.18 0.00 99.82 0.03 0.01 0.11 99.69 0.17 0.00 0.00 0.00 40 R H H 123.05 2.92 17.43 20.54 91.63 49.54 -64.05 -41.82 0.35 0.00 99.65 0.03 0.01 0.25 99.58 0.12 0.00 0.00 0.00 41 N H H 71.62 5.08 16.85 22.76 91.90 49.55 -64.82 -40.98 0.93 0.00 99.07 0.08 0.05 0.70 99.00 0.17 0.00 0.00 0.00 42 H H H 84.06 6.56 16.90 24.47 92.10 50.85 -64.44 -40.91 0.71 0.00 99.29 0.10 0.04 0.45 99.00 0.40 0.00 0.00 0.00 43 R H H 115.71 3.99 18.47 22.88 92.06 50.85 -64.66 -41.77 0.75 0.00 99.25 0.09 0.05 0.51 98.70 0.66 0.00 0.00 0.00 44 Y H H 103.48 4.56 17.21 22.63 92.13 49.90 -65.13 -41.16 1.22 0.00 98.78 0.16 0.09 0.82 97.95 0.99 0.00 0.00 0.00 45 A H H 43.96 6.79 14.86 23.10 92.09 51.42 -64.92 -39.38 2.93 0.01 97.06 0.42 0.22 1.98 96.08 1.30 0.00 0.00 0.00 46 L H H 96.85 4.42 16.59 21.67 92.80 50.49 -68.39 -34.45 9.99 0.04 89.97 0.83 0.74 8.11 88.64 1.62 0.02 0.02 0.02 47 H H H 124.26 3.03 16.38 19.60 95.76 46.94 -84.49 -15.92 34.31 0.14 65.55 1.97 3.11 28.71 64.52 1.51 0.05 0.05 0.09 48 G C T 36.80 7.21 13.24 21.44 103.65 50.96 49.61 -10.76 72.13 0.72 27.16 15.65 11.50 43.21 27.15 1.82 0.02 0.25 0.39 49 T C H 65.85 4.31 14.51 19.85 119.69 38.98 -89.95 161.75 53.19 1.01 45.81 39.63 8.24 3.91 46.33 1.09 0.00 0.31 0.49 50 A H H 73.55 3.65 14.26 19.10 93.47 -89.03 -61.97 -37.32 4.36 0.03 95.61 1.51 0.76 1.88 95.19 0.62 0.00 0.01 0.01 51 K H H 135.89 1.49 16.99 17.68 92.38 51.94 -65.34 -41.03 2.14 0.02 97.84 0.67 0.27 1.09 97.36 0.60 0.00 0.01 0.01 52 A H H 34.83 5.60 14.32 22.01 91.77 50.25 -64.15 -41.64 1.09 0.01 98.91 0.36 0.12 0.51 98.54 0.45 0.00 0.00 0.00 53 L H H 64.88 6.50 14.78 22.88 91.99 50.47 -64.28 -41.48 0.55 0.00 99.45 0.16 0.05 0.26 99.36 0.17 0.00 0.00 0.00 54 A H H 55.31 2.56 16.84 19.56 91.79 50.37 -63.63 -41.72 0.48 0.00 99.52 0.11 0.04 0.25 99.51 0.10 0.00 0.00 0.00 55 K H H 118.53 1.90 17.36 18.66 91.96 49.55 -64.99 -40.98 0.53 0.00 99.47 0.10 0.04 0.29 99.49 0.09 0.00 0.00 0.00 56 A H H 43.82 4.95 13.80 20.47 91.78 50.28 -64.03 -41.15 0.72 0.00 99.27 0.13 0.05 0.40 99.31 0.10 0.00 0.00 0.00 57 R H H 130.56 2.54 14.63 17.74 91.79 50.29 -64.54 -40.67 1.36 0.00 98.63 0.27 0.10 0.78 98.68 0.17 0.00 0.00 0.00 58 A H H 65.54 1.64 13.23 14.93 92.12 50.78 -64.50 -39.70 3.10 0.01 96.89 0.58 0.23 1.88 96.96 0.34 0.00 0.00 0.00 59 E H H 127.30 1.67 11.87 14.05 92.45 50.90 -66.89 -36.50 8.81 0.02 91.17 1.40 0.73 5.86 91.24 0.74 0.00 0.01 0.01 60 K H H 146.37 1.70 10.40 13.09 93.61 52.74 -71.05 -29.09 23.19 0.10 76.71 4.13 2.25 15.96 76.40 1.14 0.02 0.03 0.06 61 S C H 89.04 1.18 9.86 11.49 96.76 55.04 -80.58 -12.22 50.52 0.22 49.26 19.66 1.61 26.54 50.89 1.09 0.00 0.07 0.13 62 A C C 77.06 2.96 10.25 14.76 104.09 82.58 -79.39 62.72 99.83 0.03 0.13 99.42 0.17 0.26 0.12 0.01 0.00 0.01 0.01