# 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 Q C C 130.07 3.23 14.64 19.38 113.14 -162.22 -88.82 133.50 99.92 0.07 0.01 99.87 0.06 0.03 0.00 0.00 0.00 0.03 0.01 1 G C C 46.36 4.61 12.18 18.46 120.89 2.98 90.04 172.26 95.71 3.40 0.89 90.38 1.47 4.06 0.19 0.53 0.00 2.66 0.71 2 S C C 70.61 5.98 11.80 19.32 118.03 -103.85 -103.34 139.42 86.88 11.73 1.39 58.08 19.21 9.00 0.15 1.57 0.00 10.95 1.02 3 H C C 100.14 7.94 13.65 22.75 114.64 -166.09 -102.31 128.22 66.97 31.89 1.14 44.61 16.79 4.94 0.12 1.19 0.00 31.51 0.85 4 M E E 93.72 8.63 16.19 25.81 123.95 -147.02 -113.59 138.89 33.19 66.58 0.22 27.50 4.43 0.43 0.03 0.18 0.00 66.97 0.46 5 M E E 31.38 16.51 14.44 31.51 127.21 -170.87 -124.33 142.47 5.35 94.64 0.02 4.83 0.32 0.03 0.00 0.01 0.00 94.72 0.09 6 Q E E 87.29 7.31 22.01 29.85 116.23 -138.87 -98.19 128.52 1.02 98.98 0.00 0.95 0.03 0.00 0.00 0.00 0.00 99.01 0.01 7 I E E 9.81 22.62 15.12 37.94 125.82 -171.42 -121.47 139.19 0.40 99.60 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 8 F E E 62.40 8.43 24.42 33.82 116.24 -146.47 -102.15 126.90 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 9 V E E 6.39 23.57 16.11 40.08 124.83 -169.91 -119.96 137.13 0.23 99.77 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 10 K E E 81.94 7.44 23.25 31.25 115.64 -145.84 -103.03 124.95 1.23 98.76 0.00 1.09 0.06 0.00 0.00 0.00 0.00 98.77 0.07 11 T C C 14.38 17.82 13.24 31.52 124.50 -147.47 -89.46 166.87 62.57 37.35 0.08 60.85 0.91 0.14 0.02 0.05 0.00 36.98 1.06 12 L C T 91.21 9.46 14.66 25.12 91.42 -99.92 -63.76 -23.33 98.36 1.06 0.57 0.99 7.05 90.38 0.02 0.57 0.00 0.89 0.10 13 T C T 87.35 3.61 14.95 19.54 93.83 58.40 -86.67 -0.34 99.26 0.24 0.50 0.67 7.16 91.46 0.01 0.50 0.00 0.15 0.05 14 G C S 50.40 3.09 14.66 18.82 97.99 -100.95 87.81 4.39 98.92 0.76 0.33 15.99 81.39 1.68 0.03 0.25 0.00 0.46 0.20 15 K C C 102.92 4.95 14.45 21.31 118.09 134.29 -79.97 143.42 97.05 2.93 0.02 95.65 1.51 0.11 0.00 0.01 0.00 2.53 0.19 16 T E E 76.85 9.31 14.43 25.28 123.91 -149.83 -116.52 138.07 2.13 97.87 0.00 2.04 0.07 0.00 0.00 0.00 0.00 97.70 0.18 17 I E E 32.93 14.91 15.46 31.46 125.11 -171.26 -124.00 136.99 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 18 T E E 75.43 8.29 19.51 29.07 120.93 -154.49 -111.20 132.29 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 19 L E E 23.23 18.55 15.37 34.13 128.92 -175.68 -129.67 142.45 0.53 99.47 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.51 0.00 20 E E E 112.91 5.64 23.37 30.05 116.57 -141.20 -98.17 128.42 1.18 98.82 0.00 1.06 0.04 0.00 0.00 0.00 0.00 98.89 0.01 21 V E E 10.77 22.14 13.65 35.74 133.34 176.72 -137.01 154.82 8.88 91.11 0.00 9.06 0.10 0.00 0.00 0.00 0.00 90.21 0.63 22 E C C 93.36 4.49 24.79 28.96 116.71 -115.56 -81.46 144.79 81.90 18.09 0.01 82.74 0.28 0.02 0.00 0.00 0.00 16.59 0.37 23 P C T 35.71 19.81 13.45 32.80 91.15 -116.40 -60.76 -25.11 99.46 0.28 0.25 0.31 1.96 97.32 0.01 0.20 0.00 0.18 0.02 24 S C T 79.02 2.98 21.51 24.94 92.38 58.72 -88.61 -2.88 99.65 0.13 0.22 0.39 2.03 97.27 0.01 0.21 0.00 0.09 0.01 25 D C C 31.01 14.09 14.91 30.36 117.72 115.61 -70.09 143.85 98.59 1.32 0.10 72.61 26.09 0.17 0.02 0.07 0.00 0.69 0.35 26 T E B 45.29 7.14 24.23 31.83 123.05 -124.70 -84.24 160.68 15.71 84.20 0.08 11.80 0.27 0.01 0.06 0.00 0.00 3.60 84.26 27 I H H 10.52 24.55 14.53 39.63 90.67 -111.88 -58.15 -39.55 2.05 0.01 97.94 0.23 0.23 1.50 97.59 0.43 0.01 0.01 0.00 28 E H H 108.32 5.81 22.44 29.04 91.11 55.24 -62.62 -40.59 0.83 0.00 99.17 0.08 0.05 0.61 98.96 0.30 0.00 0.00 0.00 29 N H H 81.77 3.93 24.36 28.04 92.00 48.51 -65.88 -40.12 0.54 0.00 99.45 0.12 0.05 0.33 99.13 0.36 0.00 0.00 0.00 30 V H H 4.51 23.26 17.48 41.00 91.72 49.75 -64.46 -43.50 0.35 0.00 99.65 0.07 0.03 0.19 99.57 0.14 0.00 0.00 0.00 31 K H H 54.16 17.76 19.92 36.45 91.41 52.24 -61.93 -42.69 0.26 0.00 99.74 0.04 0.01 0.15 99.74 0.06 0.00 0.00 0.00 32 A H H 53.00 2.82 23.33 25.29 91.36 50.68 -63.20 -42.40 0.53 0.00 99.47 0.05 0.03 0.37 99.43 0.11 0.00 0.00 0.00 33 K H H 85.59 5.98 21.97 28.31 92.00 49.28 -65.50 -41.14 1.41 0.01 98.58 0.13 0.08 1.08 98.52 0.19 0.00 0.00 0.00 34 I H H 6.86 21.41 13.80 35.71 91.85 49.34 -64.79 -42.75 3.05 0.06 96.89 0.44 0.40 2.11 96.73 0.27 0.01 0.02 0.02 35 Q H H 75.95 10.15 15.63 26.44 92.29 50.54 -64.21 -41.26 6.60 0.15 93.25 1.39 0.83 4.15 93.02 0.48 0.02 0.06 0.05 36 D H H 119.23 0.85 17.57 16.54 93.77 46.35 -69.54 -36.70 12.29 0.09 87.62 1.34 1.28 9.48 87.08 0.72 0.03 0.04 0.04 37 K H H 125.51 3.94 15.39 20.37 98.49 38.93 -81.84 -35.90 23.85 0.11 76.04 1.09 3.03 19.46 75.30 0.95 0.06 0.03 0.07 38 E H H 84.81 9.26 13.22 23.33 101.50 23.17 -104.68 -9.54 29.15 0.23 70.62 2.50 7.69 19.26 69.51 0.72 0.10 0.05 0.18 39 G C C 57.23 1.71 18.39 19.75 95.26 -118.34 76.09 16.19 99.75 0.11 0.14 71.77 13.07 14.91 0.05 0.08 0.00 0.05 0.07 40 I C C 28.16 16.44 9.64 26.46 117.06 144.08 -91.09 133.64 99.65 0.33 0.01 90.76 8.81 0.04 0.01 0.00 0.00 0.08 0.31 41 P C C 60.77 3.68 20.92 24.64 112.49 -109.84 -65.32 144.43 99.94 0.04 0.01 99.77 0.18 0.02 0.00 0.00 0.00 0.01 0.02 42 P H G 55.36 16.62 11.70 27.70 91.91 -118.80 -58.19 -35.32 10.85 0.07 89.08 1.05 0.88 6.56 0.44 91.01 0.00 0.04 0.00 43 D H G 114.99 2.11 19.02 21.51 90.57 61.51 -70.99 -13.90 10.94 0.11 88.95 0.57 0.81 7.68 0.43 90.43 0.00 0.07 0.00 44 Q H G 87.03 7.91 18.24 27.11 96.69 56.61 -96.44 -0.54 11.14 0.42 88.43 2.04 1.55 5.59 0.47 90.01 0.00 0.33 0.02 45 Q C C 23.77 21.60 13.60 34.73 120.49 94.65 -96.21 139.42 55.20 44.20 0.60 47.82 7.37 0.45 0.18 0.44 0.00 41.90 1.83 46 R E E 94.43 9.21 26.10 35.68 128.52 -171.98 -128.84 140.31 8.05 91.88 0.07 8.24 0.26 0.03 0.03 0.03 0.00 90.78 0.63 47 L E E 6.39 24.65 17.78 42.97 116.32 -139.98 -99.89 128.75 2.15 97.84 0.02 1.85 0.17 0.01 0.00 0.01 0.00 97.90 0.05 48 I E E 32.76 11.46 23.67 36.28 124.02 -167.99 -118.26 136.20 0.84 99.14 0.02 0.71 0.08 0.01 0.00 0.01 0.00 99.14 0.05 49 F E E 29.12 19.36 14.85 33.97 120.42 -171.99 -126.27 123.96 1.67 98.28 0.05 1.10 0.43 0.15 0.02 0.03 0.00 97.77 0.50 50 A C T 61.63 9.25 15.73 26.10 93.63 -19.04 53.49 43.34 99.30 0.45 0.25 0.32 2.29 96.89 0.01 0.16 0.00 0.30 0.03 51 G C T 61.39 1.81 15.99 18.04 95.36 -46.36 80.73 2.73 99.75 0.11 0.14 0.38 2.76 96.66 0.01 0.11 0.00 0.07 0.01 52 K E E 119.16 3.67 15.81 21.28 123.81 105.45 -110.79 141.37 3.45 96.52 0.03 1.99 1.25 0.18 0.01 0.01 0.00 95.75 0.80 53 Q E E 113.48 5.83 16.83 24.39 114.40 -119.64 -78.00 133.46 4.25 95.74 0.02 3.75 0.32 0.03 0.01 0.01 0.00 95.07 0.81 54 L C C 18.12 22.19 9.03 30.22 115.87 -123.87 -82.02 136.30 75.10 24.87 0.03 74.55 0.82 0.07 0.00 0.02 0.00 23.91 0.62 55 E C C 126.94 2.51 20.99 23.23 119.46 -141.67 -97.34 143.14 98.81 1.13 0.07 97.99 0.87 0.20 0.01 0.03 0.00 0.60 0.31 56 D C T 98.52 7.58 13.97 22.88 108.07 -87.72 -60.87 131.68 99.32 0.25 0.43 1.04 3.71 94.64 0.06 0.33 0.00 0.13 0.10 57 G C T 52.18 3.50 17.86 22.09 95.86 20.49 86.78 -2.37 99.58 0.12 0.30 1.63 3.18 94.78 0.03 0.28 0.00 0.08 0.02 58 R C C 83.46 9.66 15.41 26.51 119.23 126.87 -79.81 146.59 95.99 3.90 0.11 77.28 18.78 0.29 0.02 0.10 0.00 2.37 1.15 59 T E B 37.65 9.00 20.91 30.95 123.17 -131.33 -90.81 157.79 16.27 83.64 0.09 11.87 0.52 0.03 0.07 0.01 0.00 6.86 80.65 60 L H G 9.84 24.59 12.93 37.83 91.19 -111.31 -59.65 -35.77 29.74 0.69 69.57 2.37 3.22 23.79 5.21 64.77 0.00 0.46 0.18 61 S H G 64.47 7.23 18.23 26.47 91.25 60.41 -65.01 -32.28 21.97 0.12 77.91 0.76 1.27 19.05 5.81 72.99 0.00 0.08 0.03 62 D H G 101.16 2.77 19.15 22.14 91.51 56.66 -71.81 -22.11 19.20 0.11 80.69 0.96 1.59 15.91 7.33 74.12 0.00 0.06 0.04 63 Y C G 50.81 17.12 12.77 29.53 98.72 52.98 -98.58 5.93 54.24 0.56 45.20 4.51 13.71 35.19 7.27 38.58 0.02 0.27 0.46 64 N C T 118.03 2.46 22.38 24.72 95.18 -121.35 59.11 41.88 95.84 1.34 2.82 21.98 6.48 67.76 0.68 1.92 0.00 0.74 0.46 65 I C C 14.40 24.34 8.69 31.88 114.87 170.46 -83.62 132.16 91.75 7.74 0.51 89.37 2.07 0.32 0.25 0.16 0.00 2.79 5.04 66 Q C C 105.18 3.19 21.70 24.79 125.32 -163.53 -111.45 160.14 95.50 3.85 0.64 93.81 1.33 0.63 0.22 0.24 0.00 1.96 1.81 67 K C T 129.25 6.76 16.02 23.84 105.52 -85.72 -64.12 128.51 93.17 3.15 3.67 2.67 12.56 78.40 0.45 2.96 0.01 2.49 0.47 68 E C T 133.95 3.61 18.79 22.92 96.15 20.41 49.41 14.57 93.39 3.15 3.46 4.10 10.66 78.24 0.29 3.25 0.00 3.24 0.21 69 S C C 22.73 15.04 13.63 29.41 117.81 132.53 -77.98 149.67 90.74 7.99 1.27 73.13 15.81 1.43 0.15 1.28 0.00 7.61 0.58 70 T E E 56.54 9.06 22.71 32.34 120.69 -139.64 -111.95 134.91 18.65 81.21 0.13 17.68 0.98 0.15 0.03 0.09 0.00 80.31 0.76 71 L E E 10.10 23.99 16.46 40.54 123.35 -166.64 -116.59 134.53 2.09 97.88 0.02 2.06 0.10 0.02 0.00 0.01 0.00 97.69 0.11 72 H E E 68.34 9.70 25.61 35.74 118.22 -155.84 -107.31 127.67 1.14 98.84 0.03 1.11 0.06 0.01 0.00 0.01 0.00 98.78 0.02 73 L E E 12.44 23.34 17.27 40.67 119.59 -162.54 -109.52 129.20 1.30 98.67 0.03 1.29 0.05 0.01 0.01 0.01 0.00 98.62 0.03 74 V E E 46.29 9.65 23.81 34.24 120.37 -165.97 -115.56 130.21 2.37 97.61 0.02 2.30 0.08 0.01 0.01 0.01 0.00 97.51 0.08 75 L E E 33.33 18.41 16.33 34.56 121.58 -160.70 -108.48 133.20 7.29 92.65 0.06 6.95 0.32 0.04 0.02 0.03 0.00 92.40 0.24 76 R E E 115.02 7.30 18.89 27.18 117.73 -153.09 -102.15 129.33 24.42 75.32 0.26 22.11 1.58 0.32 0.07 0.15 0.00 75.25 0.51 77 L C C 67.68 12.84 11.34 24.57 115.45 -143.31 -91.82 132.65 57.01 41.65 1.34 46.99 6.50 2.70 0.32 1.04 0.00 40.93 1.52 78 R C C 157.50 3.55 12.17 17.51 113.27 -127.44 -83.58 133.40 76.39 21.74 1.87 40.91 17.34 19.37 0.33 1.68 0.00 18.43 1.95 79 G C C 61.81 1.33 12.29 13.87 104.82 10.63 80.98 -0.92 92.60 6.23 1.17 59.37 11.10 22.33 0.15 1.07 0.00 5.04 0.94 80 C C C 80.14 6.96 11.27 19.32 109.46 74.86 -93.91 95.01 99.87 0.12 0.01 99.74 0.12 0.05 0.00 0.00 0.00 0.07 0.01