# 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 G C C 43.15 5.79 13.07 20.06 118.14 -138.56 -86.27 170.45 99.93 0.05 0.03 99.73 0.16 0.06 0.01 0.00 0.00 0.02 0.01 1 E C C 127.35 3.82 10.80 16.09 106.93 -96.73 -86.56 99.10 90.98 0.44 8.58 88.93 0.87 2.44 6.38 0.94 0.00 0.16 0.29 2 F C T 138.12 3.84 10.08 15.48 98.79 84.21 -76.41 -18.23 66.48 0.90 32.62 23.55 8.52 35.18 24.81 6.96 0.02 0.42 0.54 3 F C T 122.72 4.56 10.88 16.95 103.80 66.14 -85.63 4.23 60.12 2.32 37.56 22.09 7.98 30.83 29.33 7.32 0.08 1.21 1.17 4 A H H 53.97 5.46 12.22 19.25 100.42 88.29 -74.61 -33.82 33.64 2.78 63.58 22.22 6.74 7.06 56.37 5.05 0.06 1.56 0.95 5 V H H 75.30 6.07 12.93 20.24 95.00 58.22 -66.79 -40.05 13.20 0.48 86.31 6.90 2.63 4.85 82.58 2.59 0.03 0.28 0.15 6 S H H 61.05 3.25 14.96 18.96 92.99 52.84 -65.96 -39.83 10.25 0.21 89.54 4.56 1.62 4.58 86.62 2.42 0.02 0.12 0.07 7 N H H 86.34 3.36 15.52 19.50 93.31 50.77 -67.01 -38.41 7.44 0.14 92.42 3.32 1.18 3.39 90.02 1.95 0.02 0.08 0.05 8 M H H 73.76 7.99 13.95 23.26 92.43 52.18 -65.67 -41.38 2.37 0.07 97.57 0.87 0.35 1.26 96.32 1.14 0.02 0.04 0.02 9 L H H 78.32 5.55 15.36 22.21 92.03 50.51 -65.07 -41.06 1.55 0.06 98.39 0.47 0.20 0.91 97.30 1.06 0.02 0.03 0.01 10 E H H 111.23 1.96 17.12 18.50 92.39 50.02 -65.44 -40.30 2.40 0.08 97.52 0.58 0.29 1.60 95.83 1.61 0.03 0.05 0.02 11 A H H 42.71 4.76 14.19 20.73 92.17 50.68 -65.44 -40.13 5.79 0.14 94.07 1.12 0.68 4.16 91.31 2.55 0.05 0.08 0.04 12 L H H 60.58 9.06 11.64 22.10 93.17 49.96 -67.61 -38.31 13.43 0.31 86.26 2.98 1.90 9.08 80.54 5.08 0.10 0.18 0.14 13 D H H 103.73 2.66 13.54 17.32 92.83 55.11 -68.22 -26.58 26.51 0.53 72.96 4.34 3.60 19.60 67.39 4.29 0.21 0.27 0.30 14 S C T 80.82 1.54 12.95 14.50 95.90 55.76 -85.02 -4.42 70.41 0.53 29.06 4.15 10.82 54.30 25.87 4.13 0.07 0.20 0.46 15 G C T 55.08 2.99 11.78 16.42 98.11 -108.83 78.88 9.00 93.52 0.45 6.03 10.36 21.48 62.07 3.11 2.46 0.00 0.20 0.30 16 K C C 137.94 2.50 12.07 15.84 100.14 121.66 -86.11 -9.94 91.84 1.40 6.76 35.30 33.57 23.37 2.74 3.56 0.00 0.57 0.88 17 F C C 102.37 8.31 9.67 19.00 110.37 50.39 -99.30 96.06 86.67 3.25 10.08 41.08 23.48 22.69 4.76 4.65 0.02 1.31 2.02 18 G C C 45.96 3.41 15.11 19.42 110.52 -135.00 55.35 -128.79 82.82 3.12 14.06 37.23 29.80 16.53 8.56 4.90 0.02 1.36 1.60 19 S C C 68.78 3.98 14.64 19.41 108.86 -10.02 -89.21 107.85 72.71 5.76 21.53 38.85 22.55 12.05 16.46 4.70 0.08 2.68 2.63 20 V H H 68.10 7.37 12.62 21.52 97.19 124.65 -74.57 -25.03 35.27 2.29 62.44 23.56 8.39 5.16 59.04 2.01 0.03 0.93 0.89 21 S H H 51.51 5.56 13.59 20.70 93.55 76.37 -63.70 -41.10 6.06 0.09 93.86 3.29 0.97 1.82 92.99 0.85 0.00 0.04 0.02 22 K H H 128.34 1.74 16.61 17.79 92.64 51.09 -65.56 -39.50 2.13 0.03 97.84 0.81 0.32 0.99 97.23 0.64 0.00 0.01 0.01 23 E H H 91.92 3.99 15.58 20.55 92.43 51.35 -65.79 -40.56 1.12 0.01 98.86 0.45 0.14 0.51 98.42 0.46 0.00 0.01 0.00 24 L H H 69.93 6.75 14.42 22.55 92.31 50.74 -64.86 -41.09 0.48 0.00 99.52 0.17 0.05 0.22 99.42 0.14 0.00 0.00 0.00 25 E H H 104.46 3.30 16.57 20.34 91.92 50.92 -64.16 -40.51 0.28 0.00 99.72 0.07 0.02 0.14 99.72 0.05 0.00 0.00 0.00 26 E H H 104.14 2.10 17.45 19.04 91.93 50.60 -64.46 -41.46 0.25 0.00 99.75 0.05 0.02 0.14 99.77 0.03 0.00 0.00 0.00 27 I H H 76.53 4.49 16.67 22.05 92.00 49.40 -64.69 -42.16 0.21 0.00 99.79 0.04 0.01 0.12 99.81 0.02 0.00 0.00 0.00 28 A H H 43.37 5.44 15.66 22.53 91.65 50.08 -63.81 -41.15 0.19 0.00 99.81 0.03 0.01 0.10 99.85 0.02 0.00 0.00 0.00 29 D H H 77.78 2.45 17.36 19.56 91.70 50.62 -64.23 -40.82 0.22 0.00 99.78 0.03 0.01 0.12 99.82 0.02 0.00 0.00 0.00 30 M H H 98.01 2.56 17.09 19.51 91.86 50.10 -64.75 -41.10 0.24 0.00 99.76 0.02 0.01 0.15 99.80 0.02 0.00 0.00 0.00 31 R H H 115.36 4.84 16.30 21.82 91.89 50.32 -64.50 -40.96 0.28 0.00 99.72 0.03 0.01 0.18 99.74 0.04 0.00 0.00 0.00 32 M H H 89.30 4.06 15.94 20.79 91.84 50.36 -64.17 -40.65 0.30 0.00 99.70 0.03 0.01 0.18 99.68 0.10 0.00 0.00 0.00 33 D H H 84.17 1.97 17.10 18.49 91.82 50.51 -64.58 -40.39 0.98 0.00 99.02 0.04 0.02 0.85 98.90 0.19 0.00 0.00 0.00 34 L H H 85.27 2.99 16.23 19.50 91.98 49.44 -64.83 -41.77 2.90 0.00 97.09 0.10 0.09 2.62 96.85 0.35 0.00 0.00 0.00 35 V H H 65.71 5.39 14.73 21.46 92.02 49.54 -65.00 -41.03 2.31 0.01 97.68 0.26 0.19 1.58 97.63 0.33 0.00 0.00 0.00 36 K H H 111.02 3.10 15.95 19.62 91.72 51.69 -64.12 -40.35 2.63 0.02 97.35 0.62 0.22 1.55 96.91 0.68 0.00 0.01 0.00 37 R H H 128.46 1.82 16.45 17.66 92.11 50.84 -65.21 -40.28 2.30 0.01 97.69 0.33 0.18 1.62 96.82 1.04 0.00 0.00 0.00 38 S H H 48.90 4.33 13.98 19.78 92.80 50.50 -65.41 -40.24 1.47 0.01 98.52 0.22 0.13 0.98 97.28 1.38 0.00 0.00 0.00 39 I H H 73.73 6.29 11.66 19.71 92.54 51.36 -66.20 -37.76 2.08 0.01 97.90 0.26 0.16 1.56 96.25 1.76 0.00 0.01 0.00 40 W H H 180.20 1.54 13.72 15.29 93.00 51.38 -67.89 -35.09 6.23 0.01 93.76 0.21 0.25 5.82 92.41 1.27 0.01 0.00 0.01 41 L H H 119.05 1.49 13.56 14.89 95.39 46.42 -77.61 -31.13 9.28 0.02 90.69 0.23 0.66 8.52 90.09 0.46 0.03 0.01 0.01 42 Y C C 109.51 5.04 10.47 17.40 111.16 29.56 -128.66 79.32 99.18 0.25 0.57 73.40 25.17 0.48 0.53 0.09 0.00 0.05 0.27 43 P H G 83.95 5.15 10.49 17.92 94.88 174.59 -63.48 -28.26 34.39 0.23 65.38 7.51 2.53 22.39 17.39 49.94 0.00 0.14 0.10 44 S H G 78.11 2.07 14.14 16.73 93.47 63.80 -70.14 -23.14 29.04 0.44 70.51 4.88 2.88 19.34 21.57 50.82 0.05 0.25 0.20 45 L H G 68.31 7.16 11.95 20.80 95.18 60.99 -70.23 -29.11 21.24 0.74 78.02 11.70 3.22 6.00 28.90 49.51 0.01 0.48 0.19 46 A H H 46.92 8.43 12.34 22.23 94.68 66.38 -65.87 -35.57 31.74 1.07 67.19 18.75 5.05 7.82 41.77 25.62 0.01 0.62 0.37 47 Y H H 136.06 3.60 14.64 19.06 94.75 56.11 -71.90 -30.66 33.15 1.17 65.68 18.26 6.01 8.95 47.24 18.44 0.02 0.67 0.40 48 T H H 79.44 3.58 14.64 18.95 95.33 60.24 -71.30 -37.57 29.75 1.32 68.93 16.09 5.56 8.84 54.90 13.34 0.04 0.83 0.40 49 V H H 74.84 6.09 13.10 20.47 96.08 50.10 -74.32 -35.07 28.67 2.07 69.26 15.12 5.87 9.39 56.76 10.84 0.08 1.32 0.63 50 F H H 102.44 6.26 12.62 20.25 98.31 53.80 -73.63 -32.89 35.12 1.93 62.96 19.36 8.14 9.83 53.77 7.12 0.06 1.05 0.68 51 E H H 110.41 3.27 14.07 18.19 97.82 58.45 -71.95 -29.52 44.70 1.26 54.04 28.12 6.70 10.75 48.12 5.15 0.01 0.66 0.49 52 A H H 59.19 4.31 11.84 17.73 94.70 65.82 -67.11 -36.18 39.84 1.12 59.04 21.58 7.99 11.97 49.84 7.55 0.03 0.58 0.46 53 E H H 114.75 3.61 12.41 17.16 95.83 53.93 -70.45 -32.31 40.35 1.36 58.29 21.02 8.17 12.92 48.73 7.83 0.04 0.73 0.55 54 K H H 122.48 3.76 11.70 16.77 97.35 55.93 -73.96 -29.69 43.97 2.09 53.94 25.00 9.97 11.07 43.94 8.06 0.06 1.06 0.85 55 T C H 82.64 3.96 10.55 16.01 100.47 61.03 -78.44 -20.33 51.85 3.04 45.11 33.54 8.42 11.05 37.36 6.70 0.03 1.66 1.24 56 M C C 133.46 2.45 10.22 13.94 99.12 64.66 -77.32 -16.13 60.57 4.96 34.47 35.08 11.47 14.89 27.12 6.62 0.09 2.57 2.16 57 D C C 110.31 2.00 10.05 13.15 102.89 61.54 -86.68 14.80 72.51 4.85 22.64 35.01 16.24 22.19 16.34 5.54 0.07 2.34 2.26 58 G C T 56.48 2.18 10.47 13.91 105.85 -80.02 83.68 6.07 88.36 2.13 9.51 32.22 24.56 32.42 4.45 4.26 0.01 1.00 1.09 59 G C C 51.68 3.22 10.17 14.89 111.99 102.42 -86.89 141.72 92.43 2.46 5.10 37.67 29.05 26.06 1.20 3.65 0.00 1.16 1.21 60 G C C 52.66 3.10 10.57 15.23 114.18 -96.08 -91.98 165.11 90.66 4.49 4.85 46.63 26.47 17.69 1.10 3.80 0.00 2.20 2.10 61 G C C 48.60 4.01 10.35 16.04 115.90 -139.63 -109.12 168.26 86.61 5.71 7.67 51.58 21.24 13.82 2.12 5.64 0.00 3.03 2.56 62 S C C 81.23 3.42 10.30 15.33 111.17 -114.56 -92.48 125.90 81.23 6.47 12.30 50.90 16.63 13.79 3.56 8.80 0.01 3.74 2.58 63 D C C 103.99 3.29 10.05 15.01 106.58 -145.32 -94.11 67.21 79.44 5.21 15.35 48.74 16.43 14.53 4.98 10.23 0.01 2.98 2.09 64 Y C C 140.87 5.20 8.77 15.66 112.60 117.76 -95.83 123.00 77.65 4.35 18.00 51.63 14.06 11.95 7.59 10.33 0.01 2.39 2.05 65 K C C 140.52 2.88 10.05 14.64 112.14 -152.96 -93.43 125.53 78.09 3.08 18.83 52.12 12.88 13.17 8.93 9.69 0.01 1.66 1.54 66 D C C 98.21 3.76 8.84 14.40 109.94 -142.16 -89.84 114.36 76.90 1.84 21.26 49.77 12.09 15.05 9.52 11.59 0.00 0.92 1.05 67 D C C 102.69 3.41 8.08 13.24 103.53 -168.03 -84.17 14.88 70.10 1.17 28.72 35.95 12.46 21.90 10.39 18.01 0.01 0.56 0.73 68 D C T 112.46 2.10 8.23 11.86 100.68 94.23 -83.42 9.77 70.60 1.07 28.33 26.90 14.14 30.53 9.65 17.56 0.01 0.48 0.72 69 D C C 107.22 2.60 7.59 11.95 104.53 101.29 -85.67 41.88 77.26 1.06 21.68 52.37 5.69 20.74 7.80 12.19 0.00 0.55 0.65 70 K C C 145.96 2.75 10.03 14.49 107.88 128.80 -85.79 101.65 99.70 0.12 0.18 99.22 0.34 0.25 0.07 0.03 0.00 0.05 0.04