# 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 122.01 4.41 10.33 16.45 112.31 -134.08 -90.99 123.25 99.89 0.07 0.04 99.73 0.13 0.07 0.02 0.00 0.00 0.03 0.01 1 A C C 79.68 2.89 8.69 13.46 114.83 -144.58 -90.85 134.60 92.37 1.64 5.99 89.07 0.98 3.51 3.46 1.37 0.00 0.78 0.83 2 R C C 169.29 2.31 8.16 12.30 113.81 -148.02 -92.85 129.81 87.06 2.82 10.12 64.79 13.93 8.16 6.09 4.06 0.00 1.51 1.46 3 Y C C 153.98 3.62 8.06 13.61 115.73 -156.01 -99.11 130.57 83.48 3.56 12.96 62.29 13.41 7.54 7.89 5.16 0.00 1.94 1.77 4 F C C 133.80 4.47 8.33 14.67 115.72 -155.44 -100.72 130.00 81.48 3.50 15.02 63.41 11.16 6.61 9.92 5.26 0.00 1.92 1.73 5 R C C 155.82 3.26 9.69 14.85 115.04 -149.96 -96.19 131.02 79.83 2.89 17.28 60.54 11.64 7.34 11.55 5.93 0.00 1.58 1.42 6 R C C 158.57 3.82 9.80 15.46 110.79 -138.91 -86.92 123.33 73.39 2.66 23.96 50.67 12.79 9.55 13.03 11.23 0.00 1.44 1.29 7 R C C 143.03 5.43 10.39 17.42 113.48 -152.36 -89.69 134.54 73.20 2.81 23.99 46.48 14.82 11.79 11.50 12.57 0.01 1.52 1.31 8 K C C 140.16 3.71 13.95 19.11 111.07 -141.09 -90.64 121.89 75.15 4.87 19.98 49.79 14.07 11.34 9.16 10.81 0.01 2.98 1.84 9 F C C 98.24 10.02 13.46 24.28 121.95 -145.17 -100.23 139.89 77.54 11.19 11.26 58.83 12.49 5.04 7.23 4.25 0.01 4.98 7.16 10 C C C 30.94 14.48 13.16 28.32 114.10 -128.93 -89.91 129.39 84.24 6.85 8.92 73.29 7.32 3.10 6.80 2.37 0.00 3.59 3.52 11 R C H 118.15 7.05 19.33 27.25 94.51 -150.21 -67.72 -28.20 52.25 4.01 43.74 18.59 15.32 20.01 29.70 12.21 0.30 2.25 1.63 12 F C H 46.73 14.98 14.96 30.26 94.12 59.60 -71.01 -25.97 48.40 5.26 46.34 15.79 12.73 21.52 30.02 14.22 0.57 3.07 2.08 13 T C H 44.94 12.64 15.26 28.21 96.79 57.03 -75.05 -28.04 47.21 5.75 47.04 24.46 10.05 14.20 31.21 14.31 0.22 3.34 2.23 14 A H H 54.80 8.71 14.33 24.09 95.45 63.82 -71.50 -23.80 46.36 4.28 49.36 13.70 12.44 21.34 31.85 15.53 0.82 2.19 2.13 15 E C T 129.07 3.56 15.89 20.42 99.13 54.42 -84.97 1.91 66.45 0.87 32.68 4.14 7.93 52.49 20.14 13.93 0.17 0.47 0.73 16 G C T 47.40 4.35 16.46 21.67 100.09 -94.82 87.46 7.92 80.40 1.02 18.59 11.47 9.30 59.34 10.27 8.43 0.03 0.59 0.59 17 V C C 33.38 17.95 8.78 25.77 113.31 144.94 -86.13 125.34 80.16 9.41 10.43 70.52 5.36 3.80 4.63 5.85 0.00 5.78 4.05 18 Q C C 131.04 2.59 18.52 21.75 101.04 -175.65 -91.11 -23.77 78.48 9.68 11.83 45.65 24.49 9.23 3.44 8.21 0.04 6.42 2.51 19 E C C 116.54 4.19 20.26 25.32 126.71 19.09 -129.66 139.32 71.57 16.76 11.68 49.92 13.33 8.52 3.32 8.77 0.04 11.93 4.16 20 I C C 24.87 22.12 10.98 32.19 119.35 -159.07 -111.15 129.29 85.74 10.63 3.63 79.56 4.87 1.31 1.91 1.76 0.00 6.84 3.74 21 D C C 65.36 5.88 21.70 28.01 110.36 -153.48 -104.21 113.38 95.21 3.65 1.14 92.96 1.99 0.68 0.51 0.42 0.00 1.80 1.64 22 Y C T 71.18 17.99 12.25 29.84 93.37 -159.83 -70.07 -16.46 80.39 0.46 19.16 3.81 6.95 69.23 3.09 16.38 0.00 0.26 0.27 23 K C T 148.23 2.38 17.72 20.61 92.23 64.96 -78.00 -14.09 81.25 0.39 18.36 2.77 7.90 70.32 2.83 15.71 0.00 0.21 0.25 24 D C C 66.29 6.82 14.94 23.28 106.88 63.83 -109.01 87.85 83.02 2.34 14.64 62.02 12.74 7.50 4.00 11.05 0.00 0.97 1.72 25 I H H 62.49 15.47 11.78 27.10 93.69 173.36 -63.70 -35.00 7.59 0.09 92.33 2.87 1.24 3.66 83.19 8.95 0.01 0.04 0.04 26 A H H 71.12 2.14 19.00 20.67 91.62 59.16 -63.55 -39.18 3.21 0.02 96.76 0.30 0.27 2.43 84.92 12.04 0.01 0.01 0.00 27 T H H 42.86 8.67 17.46 27.57 92.53 50.16 -66.41 -39.31 2.12 0.02 97.87 0.21 0.17 1.60 86.14 11.86 0.00 0.01 0.00 28 L H H 6.43 24.39 12.55 36.79 91.93 52.60 -65.69 -37.45 2.38 0.02 97.60 0.31 0.23 1.67 87.76 10.00 0.00 0.01 0.00 29 K H H 111.05 9.47 19.18 29.27 90.91 58.98 -63.79 -31.97 11.15 0.08 88.77 0.64 0.65 8.95 62.60 27.01 0.05 0.05 0.04 30 N H H 105.23 3.00 22.79 25.56 91.74 56.44 -74.69 -18.99 36.79 0.09 63.11 0.78 1.53 34.26 38.48 24.78 0.04 0.05 0.08 31 Y C T 30.71 18.83 16.17 35.26 97.25 49.25 -99.67 -7.05 51.84 0.49 47.67 2.84 4.44 43.25 23.96 24.84 0.06 0.29 0.33 32 I E B 25.60 19.71 13.17 32.81 122.17 88.12 -101.02 139.50 4.79 95.07 0.14 2.74 0.54 0.02 0.16 0.01 0.00 9.75 86.78 33 T C C 43.00 8.37 15.32 25.38 123.27 -133.14 -80.99 171.86 95.15 4.72 0.13 95.63 0.41 0.13 0.05 0.04 0.00 2.76 0.98 34 E C T 162.47 1.53 14.42 16.80 90.38 -91.92 -63.39 -22.25 98.88 0.54 0.58 0.46 3.25 95.44 0.07 0.35 0.00 0.32 0.11 35 S C T 78.78 2.05 16.98 18.76 92.41 56.49 -86.41 -3.51 99.37 0.12 0.51 0.23 3.17 96.10 0.03 0.37 0.00 0.06 0.03 36 G C S 17.76 15.59 12.92 28.62 95.48 -107.43 83.69 8.09 99.43 0.35 0.22 11.65 86.88 1.03 0.03 0.14 0.00 0.13 0.14 37 K C C 98.76 5.30 21.91 28.18 120.60 136.69 -85.80 145.32 94.10 5.82 0.08 75.88 18.40 0.22 0.04 0.04 0.00 2.94 2.48 38 I E B 27.73 21.37 14.99 36.18 112.79 -113.14 -79.75 130.63 7.42 92.50 0.08 5.36 0.47 0.02 0.09 0.01 0.00 13.26 80.80 39 V C C 33.35 13.90 18.33 33.13 116.75 -132.10 -88.04 133.08 91.31 8.60 0.09 90.46 1.40 0.08 0.04 0.03 0.00 7.20 0.78 40 P C C 48.65 9.20 19.81 29.94 113.98 -106.07 -66.63 146.10 91.19 4.27 4.55 87.01 3.11 1.62 2.31 1.81 0.00 2.70 1.45 41 S C G 49.92 14.18 13.30 27.48 93.12 -121.85 -63.62 -24.77 55.10 1.82 43.08 20.14 13.05 22.74 13.20 28.97 0.03 0.94 0.93 42 R C G 167.03 2.26 18.14 20.75 92.65 66.39 -72.17 -16.86 50.83 3.86 45.31 16.81 12.07 23.21 16.43 27.55 0.16 2.09 1.69 43 I C C 76.89 10.13 14.29 25.16 98.17 59.19 -85.88 -9.12 52.66 6.74 40.60 23.74 14.86 15.95 17.54 21.35 0.22 3.50 2.82 44 T C C 44.64 15.27 12.08 26.76 105.62 68.19 -94.82 6.67 74.70 6.49 18.82 43.08 18.12 13.88 13.49 5.06 0.07 3.00 3.31 45 G C S 53.58 3.30 18.51 22.37 99.17 -114.12 81.09 4.60 90.22 2.96 6.82 25.48 46.38 19.08 3.51 2.68 0.01 1.47 1.39 46 T C S 40.80 14.79 10.69 25.35 121.66 108.42 -94.97 151.86 87.99 4.40 7.61 32.22 46.72 9.38 5.14 2.26 0.02 1.82 2.43 47 R C C 128.52 3.85 17.89 21.97 115.10 -103.51 -73.77 149.93 88.61 4.62 6.77 79.43 6.10 2.55 5.80 1.34 0.00 1.79 3.00 48 A H H 63.34 7.27 13.65 22.38 92.70 -113.36 -58.79 -39.27 2.98 0.02 97.00 0.98 0.51 1.30 96.63 0.56 0.00 0.01 0.01 49 K H H 132.90 1.86 19.27 20.53 91.57 53.71 -64.36 -39.99 1.20 0.01 98.79 0.23 0.12 0.73 98.44 0.48 0.00 0.00 0.00 50 Y H H 61.95 11.82 17.06 29.68 92.46 48.32 -66.64 -40.63 0.45 0.00 99.54 0.10 0.04 0.26 99.19 0.41 0.00 0.00 0.00 51 Q H H 34.62 17.07 15.90 32.82 91.81 53.02 -62.88 -42.25 0.16 0.00 99.84 0.03 0.01 0.08 99.80 0.08 0.00 0.00 0.00 52 R H H 127.49 3.63 23.09 26.62 91.58 50.17 -64.03 -41.22 0.12 0.00 99.88 0.01 0.01 0.08 99.87 0.03 0.00 0.00 0.00 53 Q H H 77.94 6.41 23.15 29.81 91.70 49.56 -64.73 -41.82 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 54 L H H 13.28 20.96 18.79 39.61 92.12 49.82 -64.80 -41.85 0.09 0.00 99.91 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 55 A H H 25.99 13.03 21.60 35.03 91.55 51.54 -63.01 -42.30 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.01 0.00 0.00 0.00 56 R H H 125.58 2.81 26.14 28.15 91.56 49.72 -64.20 -41.74 0.11 0.00 99.89 0.01 0.00 0.08 99.90 0.02 0.00 0.00 0.00 57 A H H 17.63 12.73 21.18 35.03 91.73 50.45 -64.03 -42.58 0.18 0.00 99.82 0.01 0.01 0.13 99.81 0.04 0.00 0.00 0.00 58 I H H 15.51 20.85 19.21 39.67 91.84 49.68 -64.01 -42.92 0.25 0.00 99.75 0.03 0.01 0.17 99.71 0.08 0.00 0.00 0.00 59 K H H 96.12 7.03 23.47 30.82 91.51 50.87 -63.04 -41.89 0.29 0.00 99.71 0.03 0.01 0.19 99.67 0.09 0.00 0.00 0.00 60 R H H 112.05 4.06 23.38 27.26 91.79 49.39 -64.76 -41.63 0.30 0.00 99.70 0.03 0.02 0.21 99.59 0.15 0.00 0.00 0.00 61 A H H 11.08 14.92 15.93 32.35 91.73 51.10 -63.96 -42.01 0.34 0.00 99.66 0.03 0.02 0.23 99.44 0.28 0.00 0.00 0.00 62 R H H 84.66 11.57 16.69 28.67 92.10 50.69 -63.87 -40.96 0.71 0.00 99.29 0.05 0.03 0.55 98.91 0.46 0.00 0.00 0.00 63 Y H H 143.56 2.90 17.26 20.61 92.20 49.31 -66.33 -37.51 1.54 0.00 98.45 0.07 0.06 1.34 98.03 0.48 0.00 0.00 0.00 64 L H H 93.25 4.67 14.82 20.63 94.33 50.51 -80.40 -18.89 10.77 0.02 89.20 0.25 0.40 10.79 87.66 0.85 0.03 0.01 0.01 65 S C T 72.53 5.44 15.06 21.55 97.97 -57.76 -14.01 -1.40 65.87 0.06 34.07 0.62 1.76 62.63 33.87 1.03 0.01 0.02 0.05 66 L C T 93.73 5.87 15.20 22.24 98.53 80.95 -87.44 -11.90 81.91 0.33 17.76 4.85 10.92 63.86 18.46 1.50 0.01 0.12 0.28 67 L C S 51.65 13.05 10.05 23.54 118.29 63.91 -108.10 131.18 93.68 1.40 4.92 39.57 49.78 4.55 2.46 2.13 0.00 0.52 0.99 68 P C C 84.32 4.39 14.86 20.44 106.29 -124.91 -68.62 119.50 90.90 0.93 8.18 58.25 17.20 15.05 2.25 6.29 0.00 0.48 0.48 69 Y C C 139.73 6.51 12.03 19.89 110.42 -132.68 -90.86 112.25 81.55 5.27 13.18 55.16 12.83 13.01 4.69 8.70 0.01 2.49 3.12 70 T C C 70.64 7.36 10.35 19.19 118.20 145.23 -105.15 139.61 82.40 3.41 14.19 58.86 12.68 10.65 5.41 8.89 0.00 1.91 1.59 71 D C C 101.89 3.78 10.37 15.87 107.32 -145.60 -88.47 77.78 80.49 2.05 17.46 45.26 18.48 16.99 5.04 12.21 0.00 1.06 0.96 72 R C C 160.70 3.05 9.54 14.34 106.47 130.97 -88.72 69.04 80.67 2.05 17.28 44.92 17.39 18.48 4.62 12.56 0.00 1.04 0.99 73 H C C 128.26 4.22 7.60 13.66 110.03 104.24 -91.41 111.18 88.00 1.50 10.50 76.39 2.45 10.58 3.30 5.71 0.00 0.90 0.68 74 Q C C 132.73 2.72 11.04 15.48 111.64 -159.33 -94.85 119.91 99.76 0.12 0.11 99.49 0.18 0.18 0.05 0.01 0.00 0.07 0.02