# 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 125.24 4.18 10.63 16.52 113.52 -163.79 -96.37 131.98 99.92 0.07 0.02 99.82 0.08 0.05 0.01 0.00 0.00 0.03 0.01 1 G C C 51.95 2.75 9.44 13.77 116.17 157.22 -108.46 168.25 96.07 1.49 2.44 90.21 1.27 5.07 1.45 0.58 0.00 0.75 0.67 2 D C C 122.95 1.23 8.82 10.92 106.58 -98.18 -88.66 71.87 90.45 2.44 7.11 61.39 20.22 8.73 5.17 2.04 0.00 1.11 1.35 3 V C C 93.91 3.64 7.23 12.73 113.27 96.58 -91.60 128.40 75.50 1.70 22.80 51.43 18.04 5.50 20.52 2.98 0.00 0.74 0.79 4 P C C 92.27 2.42 9.93 13.65 105.02 -116.62 -69.48 137.10 65.09 1.28 33.63 50.30 6.05 8.39 29.40 4.66 0.00 0.70 0.51 5 L H H 112.37 3.10 8.75 13.39 102.75 -121.29 -76.79 -10.04 48.76 1.11 50.13 35.15 6.36 8.01 42.06 7.35 0.01 0.59 0.46 6 K H H 138.28 2.20 11.00 14.23 100.72 64.04 -76.61 -22.32 39.85 0.87 59.28 28.45 5.81 6.66 51.64 6.64 0.01 0.46 0.33 7 I H H 105.03 3.33 10.37 15.02 102.60 63.30 -77.44 -21.65 35.21 0.64 64.15 23.23 6.42 6.72 57.74 5.32 0.01 0.31 0.26 8 D H H 92.56 2.84 11.57 15.44 100.17 55.70 -74.84 -27.53 34.82 0.44 64.74 24.72 4.85 6.02 60.41 3.62 0.00 0.20 0.19 9 S H H 66.01 3.01 11.44 15.61 96.18 63.45 -69.09 -33.18 26.97 0.30 72.74 16.29 4.38 7.05 68.69 3.31 0.00 0.13 0.13 10 E H H 114.20 2.39 12.57 15.68 94.33 54.16 -67.71 -36.42 21.64 0.21 78.15 12.58 3.42 6.32 74.51 2.97 0.00 0.09 0.10 11 K H H 118.99 2.35 13.08 16.02 93.55 54.16 -66.68 -39.20 12.97 0.11 86.92 6.28 2.27 4.79 84.51 2.05 0.00 0.05 0.05 12 D H H 79.26 2.77 12.83 16.60 92.80 51.73 -65.96 -39.26 10.03 0.10 89.87 5.22 1.46 3.76 87.56 1.90 0.00 0.05 0.05 13 F H H 117.44 2.51 12.93 16.30 92.43 51.20 -65.23 -40.25 3.99 0.05 95.96 1.66 0.58 1.88 94.11 1.72 0.01 0.03 0.02 14 M H H 104.13 2.48 13.65 16.74 92.56 51.11 -65.92 -39.89 2.98 0.04 96.98 0.99 0.42 1.61 95.01 1.91 0.01 0.02 0.01 15 K H H 122.97 2.07 14.20 16.51 92.75 50.46 -66.53 -40.59 4.19 0.05 95.76 1.04 0.57 2.64 93.03 2.66 0.02 0.03 0.02 16 F H H 116.14 2.95 13.08 17.02 93.34 49.07 -67.76 -39.16 5.45 0.04 94.51 0.97 0.64 3.69 90.10 4.55 0.02 0.02 0.02 17 F H H 122.18 3.45 12.87 17.45 94.07 49.35 -73.69 -27.74 13.20 0.07 86.73 1.82 1.24 9.65 79.02 8.15 0.03 0.04 0.04 18 S H H 70.61 3.13 13.05 17.20 96.17 56.24 -80.57 -16.52 42.30 0.13 57.57 3.04 3.04 35.46 51.88 6.37 0.05 0.06 0.10 19 T C T 76.69 3.99 11.94 17.45 108.40 75.27 -88.91 95.13 60.04 0.41 39.54 7.47 11.25 41.07 34.08 5.55 0.06 0.15 0.37 20 A H H 63.66 3.67 11.71 16.80 105.50 -98.79 -71.39 -32.79 49.31 0.32 50.38 14.15 27.65 6.30 50.54 1.09 0.01 0.07 0.19 21 P H H 89.01 2.48 13.11 16.14 94.91 41.92 -66.84 -34.21 13.32 0.08 86.60 4.42 2.19 6.47 85.66 1.18 0.01 0.03 0.04 22 V H H 82.75 2.90 13.20 16.94 93.82 52.43 -66.80 -39.92 3.56 0.06 96.38 1.35 0.44 1.68 95.71 0.78 0.00 0.03 0.02 23 I H H 85.74 3.62 13.38 18.31 92.66 50.24 -65.46 -40.59 0.76 0.01 99.23 0.31 0.08 0.31 98.98 0.31 0.00 0.00 0.00 24 A H H 54.80 3.17 13.72 18.07 92.43 51.37 -64.05 -40.48 0.34 0.00 99.66 0.11 0.02 0.15 99.59 0.12 0.00 0.00 0.00 25 L H H 92.47 2.15 15.10 17.31 92.38 50.55 -65.18 -40.87 0.16 0.00 99.84 0.04 0.01 0.08 99.81 0.06 0.00 0.00 0.00 26 V H H 80.75 2.40 14.82 17.56 92.00 49.78 -64.66 -41.57 0.13 0.00 99.87 0.03 0.01 0.07 99.85 0.04 0.00 0.00 0.00 27 F H H 110.82 2.93 14.39 18.18 92.13 49.59 -65.35 -40.90 0.19 0.00 99.81 0.04 0.01 0.11 99.80 0.04 0.00 0.00 0.00 28 F H H 119.23 2.34 14.71 17.47 92.02 50.47 -64.49 -40.93 0.26 0.01 99.73 0.06 0.02 0.15 99.73 0.04 0.00 0.00 0.00 29 T H H 81.72 1.78 15.30 16.71 92.12 49.51 -65.21 -41.02 0.43 0.01 99.55 0.14 0.04 0.23 99.53 0.05 0.00 0.01 0.00 30 L H H 96.26 2.19 15.29 17.54 92.36 48.64 -65.64 -41.32 0.54 0.01 99.45 0.12 0.04 0.33 99.44 0.07 0.00 0.01 0.00 31 T H H 70.78 2.91 15.35 18.77 92.58 48.84 -65.57 -41.37 0.96 0.01 99.02 0.15 0.08 0.67 98.99 0.10 0.00 0.01 0.00 32 A H H 55.92 2.47 15.35 18.18 91.91 50.72 -64.03 -41.03 0.70 0.00 99.29 0.11 0.05 0.42 99.33 0.08 0.00 0.00 0.00 33 G H H 34.78 2.68 14.77 18.19 92.02 51.03 -63.59 -41.30 0.58 0.00 99.42 0.08 0.04 0.35 99.44 0.08 0.00 0.00 0.00 34 F H H 115.86 2.45 15.48 18.13 92.21 49.94 -65.02 -40.96 0.40 0.00 99.60 0.04 0.02 0.25 99.60 0.08 0.00 0.00 0.00 35 L H H 91.65 2.60 15.20 18.26 92.25 50.25 -65.00 -40.97 0.35 0.00 99.65 0.04 0.02 0.22 99.63 0.09 0.00 0.00 0.00 36 V H H 79.71 2.40 14.86 17.58 92.12 49.97 -64.73 -41.34 0.46 0.00 99.54 0.05 0.03 0.30 99.49 0.13 0.00 0.00 0.00 37 E H H 99.03 2.32 14.60 17.31 92.09 50.19 -64.14 -40.86 0.79 0.00 99.21 0.07 0.04 0.58 99.00 0.31 0.00 0.00 0.00 38 L H H 81.80 3.15 13.35 17.49 92.04 50.27 -64.81 -40.23 0.94 0.00 99.06 0.08 0.05 0.70 98.37 0.79 0.00 0.00 0.00 39 N H H 82.49 4.05 11.58 17.23 92.28 51.80 -67.64 -32.47 2.93 0.00 97.07 0.15 0.11 2.57 95.19 1.99 0.00 0.00 0.00 40 R H H 160.81 1.39 12.43 13.97 93.56 51.26 -69.66 -35.55 8.06 0.00 91.94 0.15 0.24 8.13 90.07 1.40 0.01 0.00 0.00 41 F H H 152.40 1.23 12.15 12.98 98.26 37.52 -84.45 -30.49 11.90 0.02 88.08 0.28 1.00 10.96 87.01 0.69 0.03 0.00 0.02 42 F C C 107.64 3.86 9.03 14.68 109.80 32.55 -127.09 76.11 98.73 0.52 0.75 61.90 35.90 0.83 0.53 0.19 0.00 0.13 0.52 43 P C T 93.55 3.10 9.09 14.24 98.81 170.72 -64.36 -23.91 64.15 0.31 35.54 8.27 5.35 49.11 4.78 32.13 0.00 0.17 0.20 44 D C T 121.11 1.03 11.48 12.49 96.91 57.07 -80.01 -0.51 58.08 0.30 41.62 5.48 5.38 45.84 6.09 36.86 0.00 0.16 0.19 45 I H G 91.71 5.36 8.60 15.68 101.18 84.67 -83.81 20.79 44.76 0.88 54.36 24.03 6.51 12.53 5.29 50.86 0.00 0.49 0.29 46 L C G 113.12 3.43 9.57 14.62 100.30 116.24 -82.11 -14.58 60.67 1.69 37.63 19.87 13.37 27.96 4.47 32.74 0.01 0.86 0.73 47 F C T 153.03 1.95 10.17 13.44 115.92 50.58 -112.42 117.53 61.81 7.54 30.65 20.97 14.37 27.33 3.26 26.89 0.03 2.55 4.60 48 F C C 126.84 4.21 7.38 13.68 118.56 -167.02 -106.42 132.01 96.24 3.16 0.61 49.13 46.08 1.32 0.16 0.39 0.00 1.76 1.15 49 P C C 110.53 1.63 9.16 12.16 109.11 -119.53 -71.64 136.73 98.85 0.91 0.24 95.84 1.81 1.38 0.06 0.11 0.00 0.55 0.25 50 Y C C 166.12 3.39 9.62 14.71 109.44 -133.37 -90.36 120.74 99.94 0.05 0.01 99.75 0.15 0.06 0.00 0.00 0.00 0.02 0.01