# 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 117.79 5.47 11.38 18.22 115.68 -152.75 -92.70 130.81 99.80 0.16 0.04 99.73 0.10 0.06 0.02 0.00 0.00 0.08 0.02 1 S C C 73.78 4.56 9.14 15.52 115.41 -156.17 -91.05 143.53 89.29 5.99 4.72 84.62 1.34 4.25 2.14 1.64 0.00 4.11 1.90 2 R C C 173.08 2.15 9.81 13.63 112.91 -129.13 -90.74 130.40 82.12 10.76 7.12 56.96 16.44 8.74 2.98 4.07 0.01 7.97 2.84 3 R C C 154.11 3.98 9.36 15.30 115.47 -139.55 -95.80 132.97 80.53 11.87 7.59 59.47 14.51 6.40 3.46 4.20 0.00 8.70 3.26 4 T C C 77.88 7.29 9.27 17.92 116.60 -147.77 -96.24 138.68 81.47 11.71 6.82 66.60 9.74 4.65 3.63 3.26 0.00 8.91 3.20 5 K C C 142.55 3.10 12.74 17.49 113.65 -140.46 -93.40 131.42 80.00 12.31 7.70 54.49 19.69 5.97 4.54 3.18 0.02 9.31 2.80 6 K C C 133.45 4.87 11.57 18.39 114.10 -118.05 -86.96 129.77 75.47 16.70 7.83 55.55 13.67 5.75 4.74 3.34 0.02 12.78 4.16 7 V C C 83.32 6.98 10.88 19.35 116.53 -172.09 -109.82 133.69 75.90 16.54 7.55 55.22 14.01 5.57 5.39 2.75 0.02 11.10 5.93 8 G C C 35.95 5.14 14.22 20.56 126.21 8.59 109.64 -173.61 73.90 9.75 16.35 38.15 22.85 13.67 9.56 6.34 0.11 6.14 3.17 9 L C T 105.13 5.20 13.34 19.76 95.85 -48.29 -68.50 -28.86 66.33 4.82 28.85 15.08 17.75 34.44 13.83 13.70 0.27 2.79 2.13 10 T C T 75.96 6.08 12.50 19.84 98.31 55.56 -76.04 -24.58 65.31 5.25 29.44 12.75 14.58 37.81 13.35 15.62 0.30 3.22 2.36 11 G C C 36.64 7.53 12.36 21.05 99.53 59.92 -67.17 -30.05 62.68 6.54 30.78 24.07 16.02 23.77 10.49 19.08 0.10 4.06 2.41 12 K C T 136.65 3.58 13.68 18.43 98.65 60.69 -80.54 -14.90 66.54 9.21 24.25 22.61 17.14 27.97 8.85 14.26 0.16 6.17 2.84 13 Y C C 142.39 4.95 12.09 18.40 103.54 58.12 -94.33 8.81 68.66 12.55 18.79 27.01 17.27 25.84 7.46 10.11 0.21 7.98 4.12 14 G C C 41.79 5.58 12.21 19.13 118.50 85.96 -98.27 174.96 82.80 11.97 5.23 48.62 23.31 11.10 1.97 3.19 0.01 8.21 3.58 15 T C C 84.35 5.97 11.30 18.77 113.16 -76.55 -93.26 135.47 78.51 13.50 7.99 46.36 19.34 13.06 3.30 4.62 0.02 9.28 4.03 16 R C C 173.12 2.27 12.97 16.26 100.62 -144.00 -84.88 9.70 79.00 11.79 9.22 40.95 22.61 16.14 4.39 4.60 0.03 8.07 3.22 17 Y C C 122.96 6.68 10.51 18.47 113.73 86.48 -98.63 121.83 76.95 11.62 11.44 40.50 24.87 12.08 7.56 3.88 0.06 6.96 4.09 18 G C C 32.77 4.74 13.89 19.91 121.30 -102.45 81.11 168.91 84.91 4.06 11.03 66.43 11.32 6.20 10.00 2.09 0.00 2.37 1.58 19 S H H 73.90 3.79 12.13 17.37 93.46 -96.84 -62.21 -34.98 14.66 0.32 85.02 6.72 3.53 5.22 82.27 1.97 0.02 0.15 0.13 20 S H H 75.07 1.51 15.34 16.24 92.41 54.23 -65.23 -39.12 8.26 0.22 91.53 2.92 1.38 4.27 89.14 2.06 0.03 0.12 0.08 21 L H H 66.36 6.68 13.87 22.06 92.28 49.90 -66.36 -39.77 3.47 0.13 96.39 1.59 0.55 1.59 94.39 1.75 0.01 0.09 0.03 22 R H H 85.54 10.10 13.43 24.50 91.89 52.53 -63.63 -40.94 2.03 0.08 97.89 0.98 0.29 0.84 97.07 0.73 0.00 0.05 0.02 23 K H H 115.45 2.57 18.08 20.49 91.87 51.00 -64.77 -40.24 1.93 0.08 97.99 0.81 0.24 0.85 97.57 0.45 0.00 0.05 0.02 24 Q H H 93.42 3.26 18.36 21.71 92.06 50.20 -65.47 -40.84 2.04 0.11 97.84 0.82 0.25 0.93 97.49 0.40 0.00 0.08 0.03 25 I H H 47.43 10.81 15.48 27.45 92.18 50.14 -64.75 -41.90 1.52 0.08 98.41 0.57 0.18 0.70 98.16 0.31 0.00 0.05 0.02 26 K H H 93.00 7.62 17.53 26.02 91.98 51.71 -63.65 -40.76 1.86 0.14 98.00 0.70 0.19 0.84 97.77 0.35 0.00 0.11 0.03 27 K H H 117.31 2.80 19.04 21.80 91.82 50.48 -64.54 -40.66 2.55 0.20 97.25 0.79 0.26 1.34 96.93 0.47 0.01 0.16 0.04 28 I H H 67.77 6.80 17.24 25.24 92.34 49.46 -65.71 -41.20 2.84 0.23 96.93 1.01 0.36 1.37 96.43 0.60 0.01 0.18 0.04 29 E H H 66.39 10.09 16.08 27.11 92.27 51.38 -65.27 -40.24 3.92 0.37 95.71 1.61 0.44 1.86 94.50 1.22 0.01 0.30 0.06 30 L H H 77.09 5.91 16.95 23.99 92.65 50.35 -66.57 -38.66 5.96 0.54 93.50 1.86 0.71 3.44 91.07 2.36 0.02 0.44 0.10 31 M H H 90.84 5.66 16.80 23.46 94.36 50.22 -72.43 -27.09 11.66 0.66 87.69 3.29 1.43 7.11 84.16 3.33 0.04 0.46 0.18 32 Q H H 81.97 10.31 14.18 25.15 94.67 67.50 -68.32 -26.00 30.61 0.69 68.70 4.68 3.77 22.73 64.24 3.81 0.12 0.36 0.30 33 H C H 116.90 5.79 15.98 22.77 98.96 47.60 -94.30 1.33 50.64 1.34 48.02 8.86 6.95 34.81 44.07 3.90 0.12 0.66 0.63 34 A C C 44.43 8.89 13.96 24.41 116.46 113.40 -79.81 146.42 85.76 6.05 8.20 62.13 16.19 7.22 6.47 2.22 0.01 4.17 1.60 35 K C C 129.95 5.32 16.90 23.75 115.85 -122.74 -91.17 130.46 72.20 25.49 2.31 60.22 8.29 2.64 1.12 1.15 0.00 23.56 3.02 36 Y E E 57.22 14.37 13.44 28.47 130.92 173.83 -130.98 149.14 25.70 73.39 0.91 20.61 4.72 1.12 0.47 0.54 0.00 68.66 3.87 37 L E E 93.36 5.20 20.03 26.07 118.31 -131.62 -102.54 132.55 10.01 89.83 0.15 8.69 0.68 0.06 0.17 0.04 0.00 59.92 30.44 38 C C C 11.54 19.77 9.64 29.67 109.92 -119.20 -72.81 126.23 91.90 8.06 0.04 92.42 0.50 0.07 0.01 0.01 0.00 6.17 0.82 39 T C T 91.89 3.39 17.85 22.09 92.80 -148.53 -69.97 -23.18 99.60 0.16 0.24 0.65 6.90 92.09 0.01 0.21 0.00 0.10 0.04 40 F C T 109.46 7.12 15.10 23.23 99.93 45.36 -82.85 -40.90 99.66 0.09 0.25 0.11 3.67 95.96 0.00 0.19 0.00 0.04 0.02 41 C C T 61.18 6.54 13.42 21.57 102.96 19.32 -108.95 -14.35 99.68 0.10 0.22 0.36 4.24 95.12 0.01 0.20 0.00 0.05 0.02 42 G C C 50.63 3.14 14.64 18.94 95.66 -121.16 80.13 6.43 99.06 0.77 0.17 78.61 14.71 5.70 0.04 0.14 0.00 0.43 0.36 43 K C C 95.19 5.93 14.08 21.88 120.14 135.74 -80.27 147.30 92.97 6.96 0.07 80.30 12.82 0.32 0.02 0.05 0.00 5.29 1.20 44 T E E 81.85 6.84 17.42 25.42 113.44 -117.19 -83.80 130.91 7.29 92.64 0.07 6.35 0.53 0.04 0.08 0.02 0.00 58.65 34.34 45 A E E 23.06 14.44 16.75 31.71 134.68 166.82 -137.40 162.02 37.94 62.00 0.06 34.91 2.12 0.13 0.02 0.04 0.00 62.14 0.64 46 T E E 27.62 17.45 17.28 34.83 124.94 -116.87 -115.34 140.27 29.35 70.52 0.13 26.75 1.96 0.23 0.04 0.08 0.00 68.49 2.43 47 K E E 94.65 8.93 22.23 31.61 124.06 -159.36 -118.89 137.85 18.63 81.27 0.10 17.10 1.18 0.14 0.04 0.06 0.00 80.19 1.29 48 R E E 75.56 16.60 14.10 30.30 110.63 -119.59 -79.31 124.25 19.88 80.00 0.12 18.44 1.08 0.16 0.04 0.07 0.00 78.20 2.01 49 T E E 75.88 5.81 19.73 26.47 101.20 176.35 -101.85 -22.00 42.14 57.65 0.20 31.45 9.83 0.91 0.05 0.17 0.00 56.54 1.05 50 C C E 45.88 7.00 20.31 28.15 139.66 4.38 -149.78 162.49 51.26 48.20 0.54 14.86 30.03 8.22 0.08 0.53 0.00 44.01 2.26 51 V C T 70.70 11.08 19.77 30.82 109.62 -72.97 -65.60 131.78 97.65 1.85 0.50 5.08 32.74 59.94 0.04 0.51 0.00 1.39 0.29 52 G C T 13.12 16.28 19.29 35.33 97.09 15.51 88.22 -4.14 96.92 2.80 0.28 4.34 32.10 60.50 0.01 0.32 0.00 2.56 0.17 53 I E E 36.14 12.50 21.13 34.96 122.13 100.27 -115.24 131.81 15.48 84.50 0.02 12.63 2.22 0.10 0.00 0.01 0.00 84.56 0.47 54 W E E 22.32 19.91 18.07 38.25 126.88 -171.53 -121.70 141.99 1.28 98.72 0.00 1.18 0.04 0.00 0.00 0.00 0.00 98.74 0.04 55 K E E 75.51 9.04 23.91 33.45 123.20 -156.32 -116.89 134.67 0.53 99.47 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.32 0.16 56 C E E 8.35 19.38 12.32 32.95 109.52 -123.60 -76.86 123.30 20.20 79.78 0.01 20.15 0.33 0.03 0.00 0.01 0.00 78.85 0.63 57 K C T 115.53 5.03 18.59 24.80 94.38 -157.53 -69.81 -30.08 98.25 0.27 1.48 0.45 3.65 94.15 0.04 1.48 0.00 0.19 0.05 58 K C T 120.12 4.46 16.56 22.11 98.15 47.22 -78.02 -40.60 98.35 0.08 1.57 0.12 2.02 96.36 0.02 1.42 0.00 0.04 0.02 59 C C T 56.49 7.31 13.60 22.56 101.23 21.81 -105.23 -9.27 98.84 0.07 1.09 0.33 2.23 96.37 0.03 0.99 0.00 0.04 0.02 60 K C C 145.82 3.78 15.19 20.69 93.72 -126.57 63.95 24.62 98.67 1.00 0.33 57.60 5.49 35.65 0.08 0.22 0.00 0.81 0.16 61 R C C 106.70 6.72 14.91 23.46 119.56 141.96 -83.97 146.32 65.12 34.85 0.02 62.87 1.56 0.09 0.00 0.02 0.00 34.75 0.71 62 K E E 121.57 7.06 17.66 26.28 118.29 -127.64 -95.29 135.38 0.83 99.17 0.00 0.84 0.03 0.00 0.00 0.00 0.00 97.98 1.15 63 V E E 32.49 17.78 13.76 31.32 125.63 -171.30 -122.57 138.78 2.79 97.21 0.01 2.78 0.09 0.01 0.00 0.00 0.00 96.84 0.29 64 C E E 72.46 7.18 20.24 28.15 120.41 -148.14 -103.53 143.39 43.38 56.43 0.19 33.12 7.72 1.45 0.03 0.19 0.00 56.98 0.51 65 G C C 29.82 8.35 19.89 28.95 129.10 41.25 125.50 -173.50 77.72 21.13 1.16 42.35 27.08 8.97 0.15 1.21 0.00 18.59 1.63 66 G C C 23.37 11.89 19.35 31.14 126.41 -98.98 95.83 173.04 83.62 12.39 3.99 52.63 18.40 12.68 0.61 4.10 0.00 8.42 3.16 67 A C T 37.09 17.41 16.07 32.44 95.60 -78.41 -71.79 -22.49 87.27 5.92 6.81 16.62 33.02 37.85 0.80 6.11 0.01 3.75 1.84 68 W C T 137.80 9.55 19.55 28.79 100.10 44.83 -93.76 -9.74 83.71 9.25 7.04 16.41 33.38 34.54 1.08 5.76 0.03 5.52 3.30 69 S C C 52.52 7.46 20.56 28.65 118.92 60.34 -118.50 122.69 82.91 12.23 4.86 46.72 24.90 11.60 1.09 3.98 0.01 6.52 5.18 70 L C C 57.51 17.51 12.77 29.30 102.28 -157.56 -81.00 29.83 89.95 7.39 2.66 50.27 21.68 18.57 0.72 1.93 0.00 4.17 2.66 71 T C C 91.84 4.53 18.50 23.86 99.62 87.59 -95.91 12.44 95.11 2.77 2.12 54.80 25.36 15.06 0.59 1.55 0.00 1.37 1.27 72 T C S 42.09 10.76 12.76 24.90 122.26 114.16 -90.61 152.78 96.38 1.50 2.12 41.74 53.81 0.77 2.05 0.23 0.00 0.31 1.10 73 P H H 101.46 2.21 18.69 20.84 91.38 -115.34 -59.32 -36.09 6.51 0.05 93.44 1.46 1.55 3.55 92.65 0.73 0.01 0.02 0.02 74 A H H 43.21 9.24 17.89 27.85 92.00 53.81 -64.89 -39.43 3.50 0.03 96.48 0.75 0.41 2.14 95.96 0.71 0.01 0.01 0.01 75 A H H 9.77 18.68 14.46 33.56 91.84 50.65 -64.51 -41.67 1.26 0.02 98.72 0.46 0.14 0.59 98.22 0.58 0.00 0.01 0.00 76 V H H 68.37 5.90 21.21 27.68 91.67 50.68 -63.78 -41.77 0.55 0.01 99.45 0.19 0.06 0.23 99.30 0.21 0.00 0.00 0.00 77 A H H 55.83 3.48 22.87 25.81 91.62 49.85 -64.13 -41.73 0.63 0.01 99.36 0.18 0.05 0.31 99.31 0.14 0.00 0.00 0.00 78 A H H 20.28 15.10 18.17 33.80 91.98 50.12 -64.86 -41.84 0.65 0.01 99.35 0.15 0.05 0.34 99.36 0.10 0.00 0.00 0.00 79 K H H 81.45 12.72 19.78 32.01 91.80 51.84 -63.08 -41.43 0.61 0.00 99.39 0.16 0.04 0.29 99.43 0.07 0.00 0.00 0.00 80 S H H 58.49 2.79 22.14 24.21 91.60 50.56 -64.34 -41.22 0.89 0.00 99.11 0.22 0.06 0.46 99.19 0.07 0.00 0.00 0.00 81 T H H 52.92 6.70 20.19 27.43 91.78 50.17 -65.09 -41.78 0.56 0.00 99.44 0.14 0.04 0.27 99.50 0.04 0.00 0.00 0.00 82 I H H 35.11 13.92 16.95 31.60 91.90 50.04 -64.33 -42.39 0.22 0.00 99.78 0.05 0.01 0.10 99.81 0.03 0.00 0.00 0.00 83 I H H 77.01 4.69 19.70 25.04 91.41 49.98 -63.24 -42.17 0.14 0.00 99.86 0.03 0.01 0.07 99.88 0.02 0.00 0.00 0.00 84 R H H 126.65 2.31 20.21 21.69 91.61 49.91 -64.25 -41.70 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 85 L H H 56.22 7.91 16.84 25.97 91.79 49.91 -64.50 -41.51 0.17 0.00 99.83 0.02 0.01 0.10 99.85 0.02 0.00 0.00 0.00 86 R H H 105.05 6.47 16.83 24.25 91.99 50.96 -64.17 -41.24 0.22 0.00 99.78 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 87 K H H 116.11 1.92 17.71 18.98 91.79 49.97 -64.49 -40.97 0.37 0.00 99.63 0.04 0.02 0.23 99.67 0.04 0.00 0.00 0.00 88 Q H H 91.67 2.63 16.07 18.93 91.87 49.51 -64.86 -41.17 0.53 0.00 99.46 0.07 0.03 0.31 99.51 0.06 0.00 0.00 0.00 89 K H H 101.46 3.99 14.49 19.45 92.09 49.61 -65.02 -40.75 0.83 0.00 99.16 0.14 0.06 0.48 99.21 0.11 0.00 0.00 0.00 90 E H H 101.12 2.21 13.82 16.54 91.82 49.86 -64.76 -40.41 1.49 0.01 98.51 0.29 0.11 0.86 98.52 0.21 0.00 0.00 0.00 91 E H H 115.50 1.46 13.09 14.41 92.04 50.23 -65.14 -39.37 3.03 0.01 96.96 0.53 0.26 1.90 96.86 0.44 0.00 0.00 0.00 92 A H H 67.19 2.32 11.00 14.36 92.91 51.43 -66.68 -37.04 8.93 0.02 91.05 1.12 0.74 6.38 90.94 0.78 0.01 0.01 0.01 93 Q H H 131.67 1.55 10.27 12.60 94.24 51.68 -72.56 -26.09 26.68 0.11 73.21 3.99 2.85 19.19 72.70 1.15 0.02 0.04 0.07 94 K C H 156.07 1.20 9.41 11.22 97.77 55.94 -80.35 -10.02 59.58 0.28 40.15 29.24 2.33 25.64 41.32 1.20 0.00 0.10 0.17 95 S C C 82.07 2.33 10.30 14.01 104.95 85.13 -81.74 67.27 99.90 0.03 0.07 99.64 0.12 0.17 0.05 0.00 0.00 0.01 0.01