# 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 127.94 3.63 10.45 15.71 112.81 -150.46 -90.26 127.33 99.90 0.07 0.03 99.80 0.09 0.06 0.01 0.00 0.00 0.03 0.02 1 A C C 77.45 3.61 8.23 13.65 111.33 -135.47 -83.96 129.29 95.20 1.13 3.66 85.77 1.38 8.87 1.38 1.42 0.00 0.59 0.58 2 D C C 110.22 2.51 8.99 13.17 110.85 -142.15 -89.05 116.22 95.02 1.28 3.70 55.13 24.29 15.53 0.98 2.72 0.00 0.56 0.78 3 D C C 93.34 4.00 8.69 14.45 109.34 -148.05 -96.55 103.39 94.34 0.83 4.83 69.57 20.72 3.95 1.71 3.10 0.00 0.34 0.60 4 P C T 94.33 4.17 9.49 15.40 97.90 75.92 -71.51 -15.36 75.16 0.76 24.08 31.96 9.08 33.37 3.44 21.39 0.00 0.39 0.38 5 N C T 115.57 2.49 10.67 14.43 99.44 64.96 -84.94 2.51 72.34 1.54 26.12 25.44 11.97 35.11 3.89 22.07 0.00 0.80 0.71 6 K C C 128.00 4.07 9.77 15.65 106.11 90.80 -87.10 62.91 75.05 3.69 21.25 46.31 16.81 11.30 3.82 18.12 0.00 1.88 1.76 7 V C C 96.42 3.93 9.30 15.07 115.90 117.82 -97.64 134.09 85.24 9.27 5.49 58.10 21.36 4.87 2.74 2.64 0.00 3.42 6.87 8 W C C 144.17 4.84 8.41 15.07 116.33 -128.19 -90.78 140.73 94.48 4.47 1.05 73.88 17.77 2.66 0.44 0.60 0.00 2.18 2.47 9 P C T 114.77 1.65 10.28 13.02 96.31 -115.79 -69.09 -17.52 95.56 0.89 3.55 22.30 20.98 52.38 0.80 2.66 0.00 0.47 0.40 10 T C T 97.36 2.35 10.04 13.52 100.10 58.57 -89.62 -2.03 95.14 0.78 4.08 10.00 24.87 60.37 0.84 3.05 0.00 0.40 0.46 11 G C S 58.00 1.59 12.13 14.35 99.42 -105.04 82.70 4.54 94.45 1.87 3.68 23.20 54.94 16.63 0.81 2.50 0.00 0.86 1.05 12 L C C 71.20 7.22 7.90 17.00 118.74 121.30 -89.81 145.75 93.25 4.38 2.36 68.10 22.79 2.12 1.66 0.69 0.00 1.56 3.08 13 T C C 72.60 2.25 14.46 16.91 119.78 -118.90 -77.64 161.80 89.34 7.04 3.63 80.52 6.85 1.25 3.36 0.61 0.00 2.32 5.10 14 I H H 112.67 3.84 11.92 17.49 92.83 -107.81 -58.86 -39.53 5.37 0.06 94.58 2.04 1.29 2.22 93.57 0.83 0.01 0.02 0.02 15 A H H 72.49 1.48 14.94 15.92 92.21 51.91 -64.20 -40.13 2.88 0.03 97.09 0.74 0.38 1.67 96.28 0.91 0.00 0.01 0.01 16 E H H 94.62 2.85 14.56 18.12 92.12 48.87 -66.33 -39.87 1.51 0.02 98.47 0.46 0.17 0.81 97.70 0.85 0.00 0.01 0.00 17 S H H 35.91 6.01 12.20 20.52 91.93 51.70 -64.12 -41.37 0.94 0.01 99.06 0.32 0.10 0.43 98.76 0.38 0.00 0.00 0.00 18 E H H 103.67 2.62 15.91 18.88 91.89 49.99 -64.62 -40.86 0.88 0.00 99.12 0.17 0.07 0.51 99.03 0.22 0.00 0.00 0.00 19 E H H 100.36 1.93 16.03 17.57 91.84 50.53 -64.29 -41.45 1.26 0.00 98.73 0.19 0.08 0.81 98.69 0.22 0.00 0.00 0.00 20 L H H 87.69 2.76 15.52 18.68 92.08 49.70 -64.40 -41.67 1.25 0.00 98.74 0.21 0.09 0.74 98.77 0.18 0.00 0.00 0.00 21 H H H 99.66 3.63 14.62 19.26 92.01 50.26 -64.79 -40.45 1.02 0.00 98.98 0.19 0.07 0.57 99.03 0.14 0.00 0.00 0.00 22 K H H 121.08 2.05 15.42 17.52 91.97 50.82 -64.64 -40.29 0.86 0.00 99.14 0.12 0.06 0.54 99.16 0.13 0.00 0.00 0.00 23 H H H 116.73 1.73 15.33 16.65 92.19 49.99 -65.15 -41.67 0.64 0.00 99.35 0.10 0.05 0.39 99.35 0.11 0.00 0.00 0.00 24 V H H 87.05 2.28 15.16 17.57 92.17 48.84 -65.32 -41.85 0.52 0.00 99.48 0.09 0.04 0.31 99.48 0.08 0.00 0.00 0.00 25 I H H 90.02 2.57 15.15 18.11 92.15 49.14 -64.69 -41.93 0.37 0.00 99.63 0.06 0.03 0.21 99.64 0.06 0.00 0.00 0.00 26 D H H 81.11 2.04 15.91 17.70 91.86 49.62 -64.62 -41.25 0.35 0.00 99.65 0.05 0.02 0.22 99.65 0.06 0.00 0.00 0.00 27 G H H 35.71 2.47 14.79 17.82 91.89 50.68 -63.62 -41.63 0.50 0.00 99.50 0.05 0.03 0.34 99.50 0.08 0.00 0.00 0.00 28 T H H 74.68 2.89 14.96 18.45 92.22 50.06 -65.30 -40.32 0.40 0.00 99.60 0.03 0.02 0.28 99.60 0.07 0.00 0.00 0.00 29 R H H 140.09 1.93 15.77 17.54 92.13 50.41 -64.83 -41.12 0.29 0.00 99.71 0.03 0.01 0.20 99.71 0.05 0.00 0.00 0.00 30 I H H 101.81 1.54 16.20 16.80 92.15 49.10 -64.77 -42.00 0.19 0.00 99.81 0.02 0.01 0.12 99.82 0.03 0.00 0.00 0.00 31 F H H 115.37 2.47 15.03 17.94 92.04 49.49 -64.66 -41.46 0.12 0.00 99.88 0.01 0.01 0.07 99.89 0.03 0.00 0.00 0.00 32 G H H 35.83 3.31 14.80 19.02 91.98 50.60 -63.78 -41.35 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 33 A H H 63.78 1.52 16.80 17.15 91.87 49.81 -64.35 -41.62 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 34 I H H 97.76 1.79 16.69 17.75 92.09 49.00 -64.96 -41.90 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 35 A H H 47.30 4.55 13.89 20.14 91.93 50.66 -63.94 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 36 I H H 96.77 2.21 16.49 18.50 91.86 50.11 -64.08 -41.96 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 37 V H H 90.42 1.26 17.38 16.84 91.82 49.33 -64.31 -42.20 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 38 A H H 50.93 3.38 14.59 19.10 91.89 50.30 -64.14 -41.25 0.20 0.00 99.80 0.01 0.01 0.15 99.80 0.04 0.00 0.00 0.00 39 H H H 96.84 4.33 14.18 19.83 92.00 50.50 -64.33 -40.90 0.71 0.00 99.29 0.02 0.02 0.63 99.24 0.09 0.00 0.00 0.00 40 F H H 127.73 1.35 15.86 16.11 92.03 49.84 -64.86 -41.42 0.65 0.00 99.35 0.04 0.03 0.51 99.20 0.22 0.00 0.00 0.00 41 L H H 96.26 1.58 14.95 15.94 92.07 49.73 -65.12 -40.40 1.08 0.00 98.92 0.08 0.05 0.83 98.08 0.96 0.00 0.00 0.00 42 A H H 50.11 4.17 11.74 17.78 92.28 52.01 -64.62 -39.90 1.85 0.00 98.15 0.10 0.08 1.54 95.65 2.62 0.00 0.00 0.00 43 Y H H 140.68 2.30 12.46 15.64 92.78 51.12 -66.34 -37.72 3.64 0.00 96.36 0.17 0.16 3.11 91.54 5.01 0.00 0.00 0.00 44 V H H 110.75 1.00 12.81 13.05 93.41 49.63 -70.99 -33.92 12.50 0.01 87.49 0.42 0.50 11.49 84.20 3.38 0.01 0.00 0.01 45 Y H H 160.51 1.55 11.36 13.25 98.28 42.08 -90.53 -14.52 31.80 0.13 68.07 2.83 3.66 25.43 64.57 3.30 0.06 0.05 0.11 46 S C C 47.13 6.37 7.18 15.37 108.95 77.33 -91.96 109.00 78.94 0.87 20.19 50.19 22.94 6.30 11.10 8.36 0.00 0.28 0.82 47 P H G 102.45 1.69 9.70 12.46 95.52 -164.60 -66.94 -23.59 44.38 0.38 55.24 12.26 5.98 25.00 8.87 47.50 0.00 0.20 0.19 48 W H G 198.61 1.14 8.71 10.57 95.53 64.74 -75.41 -15.90 44.51 0.53 54.97 8.56 5.57 29.13 8.21 48.01 0.01 0.28 0.25 49 L C C 114.56 2.75 7.09 11.56 102.99 64.79 -88.42 13.67 55.49 1.34 43.18 37.12 4.14 14.86 7.01 35.58 0.00 0.73 0.56 50 H C C 147.03 2.26 10.72 14.53 107.16 74.39 -80.62 93.44 99.90 0.04 0.06 99.63 0.16 0.15 0.02 0.01 0.00 0.02 0.01