# 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 121.27 4.38 9.67 15.64 115.14 -156.67 -90.71 131.40 99.92 0.06 0.02 99.85 0.08 0.03 0.01 0.00 0.00 0.02 0.01 1 T C C 98.19 2.57 8.57 12.79 113.94 -151.02 -90.43 137.96 85.15 2.68 12.17 79.61 1.40 5.43 7.58 3.23 0.00 1.40 1.37 2 E C C 146.92 1.93 8.09 11.44 105.62 -139.49 -85.50 49.71 75.06 3.15 21.79 46.26 16.35 12.69 12.69 8.90 0.01 1.67 1.43 3 E C C 139.21 2.16 8.76 12.40 107.98 88.18 -86.86 93.76 72.10 2.46 25.44 42.45 18.18 11.89 15.54 9.59 0.01 1.32 1.04 4 T C C 99.61 2.37 9.57 13.38 108.76 -129.69 -87.90 112.43 70.91 3.41 25.68 51.28 10.87 8.35 18.92 7.30 0.01 2.01 1.25 5 I C C 93.61 5.86 8.42 15.97 111.97 -149.03 -90.55 122.15 76.51 4.17 19.33 61.64 10.01 3.96 18.02 2.67 0.00 2.20 1.50 6 T C C 78.78 2.43 12.39 15.53 114.60 -143.03 -85.13 158.30 77.93 4.72 17.35 68.23 5.92 2.78 17.41 1.58 0.00 2.14 1.94 7 I H H 110.54 3.37 11.02 15.91 94.02 -101.33 -62.82 -38.93 7.93 0.15 91.92 4.13 1.81 2.61 90.34 0.99 0.01 0.06 0.05 8 D H H 100.39 1.86 13.47 15.77 92.60 52.32 -65.29 -39.61 4.54 0.08 95.38 1.70 0.76 2.24 94.15 1.08 0.01 0.04 0.02 9 S H H 58.85 2.49 13.92 17.03 92.53 50.06 -65.68 -40.79 3.46 0.10 96.44 1.42 0.55 1.74 94.81 1.40 0.01 0.06 0.03 10 I H H 88.63 2.95 14.17 17.93 92.33 49.47 -65.28 -41.64 2.86 0.09 97.06 1.17 0.44 1.40 95.91 1.00 0.01 0.05 0.02 11 S H H 53.24 3.43 14.24 18.77 92.00 50.46 -64.49 -41.05 5.22 0.13 94.65 1.92 0.71 2.73 93.56 0.97 0.01 0.06 0.05 12 N H H 91.79 2.49 15.36 18.17 92.29 50.64 -65.63 -40.22 9.21 0.09 90.70 1.74 1.11 6.33 89.77 0.94 0.02 0.04 0.05 13 G H H 38.79 2.53 15.39 18.19 92.78 51.27 -65.39 -41.65 12.66 0.11 87.22 1.79 1.65 9.24 86.30 0.87 0.05 0.04 0.07 14 I H H 98.25 2.10 15.67 17.59 92.56 48.11 -65.24 -42.63 6.48 0.07 93.45 0.94 0.81 4.61 92.95 0.58 0.04 0.02 0.04 15 L H H 88.46 3.06 15.13 18.82 92.03 48.50 -64.69 -41.63 1.75 0.02 98.24 0.36 0.21 1.07 97.99 0.36 0.01 0.00 0.01 16 N H H 83.52 3.51 15.00 19.50 91.79 50.70 -63.90 -41.12 1.15 0.01 98.84 0.21 0.11 0.73 98.59 0.34 0.00 0.00 0.00 17 N H H 92.49 2.15 16.03 18.10 92.28 50.03 -65.30 -40.37 1.36 0.01 98.63 0.18 0.10 0.98 98.35 0.38 0.00 0.00 0.00 18 L H H 93.63 2.20 16.19 18.22 92.08 49.97 -64.93 -41.57 1.79 0.00 98.21 0.17 0.12 1.37 98.00 0.33 0.00 0.00 0.00 19 L H H 81.45 3.96 15.64 20.51 91.89 49.69 -64.68 -41.55 1.14 0.00 98.86 0.15 0.09 0.77 98.85 0.14 0.00 0.00 0.00 20 T H H 66.12 4.26 15.65 20.96 91.89 50.69 -64.17 -41.61 0.50 0.00 99.50 0.09 0.03 0.28 99.51 0.08 0.00 0.00 0.00 21 T H H 74.82 2.23 17.23 19.04 91.86 50.23 -64.83 -40.98 0.39 0.00 99.61 0.04 0.02 0.27 99.59 0.08 0.00 0.00 0.00 22 L H H 88.36 2.67 17.03 19.71 91.79 50.08 -64.45 -42.26 0.34 0.00 99.66 0.03 0.01 0.25 99.63 0.08 0.00 0.00 0.00 23 I H H 74.92 5.51 15.89 22.52 91.88 48.92 -64.39 -41.89 0.24 0.00 99.76 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 24 Q H H 94.01 4.02 16.80 21.59 91.47 50.38 -63.38 -41.57 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 25 D H H 82.60 2.10 18.15 19.55 91.92 49.99 -64.64 -41.29 0.08 0.00 99.92 0.01 0.00 0.05 99.94 0.01 0.00 0.00 0.00 26 I H H 77.60 4.21 17.35 22.32 91.77 49.72 -64.56 -42.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 27 V H H 60.50 6.50 16.04 23.85 91.69 49.90 -63.80 -41.98 0.08 0.00 99.92 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 28 A H H 57.67 2.80 17.99 20.78 91.40 50.54 -63.63 -41.41 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 29 R H H 137.22 1.96 18.98 20.06 91.68 49.76 -65.10 -41.16 0.21 0.00 99.79 0.02 0.01 0.13 99.82 0.02 0.00 0.00 0.00 30 E H H 71.51 6.88 16.23 24.46 91.82 50.03 -64.74 -41.51 0.28 0.00 99.72 0.03 0.02 0.16 99.76 0.03 0.00 0.00 0.00 31 T H H 62.61 5.42 17.25 23.61 91.78 49.79 -64.01 -41.54 0.36 0.00 99.64 0.06 0.02 0.18 99.71 0.03 0.00 0.00 0.00 32 T H H 73.41 2.17 19.02 20.30 91.90 50.09 -64.36 -41.81 0.35 0.00 99.65 0.06 0.02 0.18 99.71 0.03 0.00 0.00 0.00 33 Q H H 87.59 4.15 18.18 22.87 92.06 49.52 -65.05 -40.97 0.33 0.00 99.67 0.05 0.02 0.19 99.70 0.05 0.00 0.00 0.00 34 Q H H 59.28 9.20 15.16 25.75 91.88 50.81 -64.22 -40.90 0.49 0.00 99.51 0.07 0.03 0.28 99.52 0.09 0.00 0.00 0.00 35 Q H H 97.39 2.77 17.97 20.76 91.71 50.97 -64.07 -40.74 1.18 0.01 98.81 0.17 0.07 0.78 98.79 0.18 0.00 0.00 0.00 36 L H H 88.89 1.98 17.39 18.66 91.82 49.82 -64.59 -40.84 2.47 0.01 97.52 0.37 0.20 1.70 97.23 0.50 0.00 0.01 0.00 37 L H H 52.22 7.53 12.68 22.31 92.15 51.51 -64.84 -39.43 4.67 0.03 95.30 0.88 0.45 3.12 94.16 1.35 0.01 0.02 0.01 38 K H H 107.48 6.21 12.68 20.34 91.83 53.70 -65.62 -33.96 9.37 0.06 90.57 1.32 0.83 6.97 88.66 2.14 0.02 0.03 0.03 39 T H H 104.56 0.96 14.19 14.00 93.42 50.65 -71.39 -33.15 19.15 0.08 80.77 1.67 1.65 15.55 79.03 1.98 0.04 0.03 0.04 40 R H H 159.58 1.65 12.92 14.74 97.37 39.83 -86.00 -26.17 29.10 0.17 70.72 2.74 4.45 22.05 69.08 1.45 0.07 0.06 0.11 41 Y C C 93.73 7.37 8.23 17.23 111.26 31.01 -129.19 79.33 98.43 0.53 1.03 61.26 35.91 1.15 0.89 0.20 0.00 0.15 0.42 42 P C C 102.44 2.62 10.48 15.08 94.91 171.09 -65.77 -23.81 87.66 0.49 11.86 42.39 8.52 36.24 2.23 10.12 0.00 0.27 0.24 43 D C T 123.16 0.97 13.38 13.66 99.29 55.29 -90.07 23.09 83.20 1.11 15.69 35.07 11.41 36.58 3.01 12.82 0.00 0.58 0.53 44 L C C 67.42 12.02 7.08 19.04 114.58 131.27 -81.46 135.17 79.31 1.95 18.74 58.76 10.99 8.30 4.57 15.40 0.00 1.03 0.95 45 R C C 161.00 2.51 15.06 18.65 117.00 -153.94 -99.23 137.16 82.61 2.86 14.53 60.50 12.36 9.11 4.01 11.13 0.00 1.59 1.30 46 S C C 65.50 7.95 12.86 21.93 111.06 -121.99 -79.42 132.17 83.54 3.95 12.51 57.36 13.36 12.03 2.45 11.05 0.00 2.48 1.26 47 Y C C 110.87 8.79 12.56 22.54 125.31 36.43 -122.43 144.56 76.13 14.51 9.36 48.82 17.90 9.86 1.91 7.85 0.01 10.93 2.73 48 Y C C 117.27 6.54 13.88 22.12 123.70 -160.26 -119.36 139.72 56.55 38.71 4.73 40.73 11.64 5.29 1.26 3.66 0.02 33.80 3.60 49 F E B 116.93 6.79 10.99 19.63 119.90 -137.45 -106.02 135.40 21.01 78.38 0.61 16.64 2.37 0.29 0.51 0.19 0.00 34.32 45.68 50 D C C 56.18 7.11 9.16 18.25 120.59 -134.60 -85.93 160.15 93.26 6.63 0.11 92.31 1.33 0.23 0.03 0.06 0.00 4.92 1.12 51 P C T 127.81 0.81 10.14 11.39 91.04 -109.44 -63.51 -20.97 98.37 0.61 1.03 1.99 7.59 88.71 0.05 1.05 0.00 0.51 0.10 52 N C T 131.81 0.65 11.14 11.00 93.13 55.67 -87.18 -0.02 98.55 0.24 1.21 0.93 8.11 89.47 0.05 1.22 0.00 0.15 0.07 53 G C S 44.25 4.38 11.03 17.22 97.92 -103.77 84.86 5.67 97.56 1.22 1.22 15.01 76.60 5.99 0.10 1.14 0.00 0.67 0.48 54 S C C 50.24 5.21 11.83 18.98 119.43 127.06 -85.35 155.32 94.92 4.85 0.23 65.37 28.01 1.95 0.05 0.20 0.00 3.23 1.19 55 L E B 64.63 8.12 12.23 22.24 123.84 -120.51 -110.46 146.61 11.70 88.15 0.14 8.21 1.15 0.05 0.13 0.02 0.00 14.12 76.32 56 D C C 45.50 7.98 12.74 22.63 121.37 -121.72 -79.18 168.00 79.82 20.03 0.15 78.51 1.53 0.23 0.06 0.08 0.00 13.62 5.96 57 I C T 111.17 7.18 11.81 20.36 91.56 -98.21 -64.08 -21.46 96.91 2.33 0.76 2.12 7.47 87.49 0.05 0.70 0.00 1.75 0.41 58 N C T 114.02 2.06 12.66 15.26 94.42 52.93 -89.11 2.62 98.85 0.51 0.63 0.88 7.15 90.93 0.03 0.57 0.00 0.31 0.13 59 G C S 49.16 3.53 11.45 16.67 97.31 -103.84 84.75 6.67 97.70 1.63 0.68 16.61 77.86 3.40 0.10 0.49 0.00 0.83 0.72 60 L C C 99.97 2.86 10.96 15.64 118.49 133.04 -87.21 142.85 94.80 4.94 0.27 82.34 11.45 0.93 0.10 0.17 0.00 2.67 2.35 61 Q E B 127.96 3.10 11.94 16.83 113.56 -107.79 -72.62 138.89 34.63 64.57 0.80 27.57 3.23 0.32 0.56 0.19 0.00 13.23 54.90 62 K C C 102.53 9.11 8.39 18.43 115.04 -126.30 -85.12 139.06 90.03 8.76 1.20 80.05 8.34 1.52 0.45 0.72 0.00 6.56 2.36 63 Q C C 125.78 2.81 12.11 16.38 113.75 -124.02 -85.74 138.18 91.90 4.82 3.29 76.89 11.26 3.68 1.19 2.04 0.00 3.00 1.94 64 Q C C 122.44 4.45 9.99 16.32 111.57 -131.98 -86.76 126.66 83.75 5.07 11.17 62.95 12.03 8.36 3.24 8.22 0.00 2.88 2.32 65 E C C 130.51 3.72 10.85 16.14 107.13 44.79 -88.00 77.64 76.23 4.11 19.66 38.89 18.74 19.22 3.55 15.75 0.00 2.25 1.60 66 S C C 64.57 6.36 10.43 18.19 108.63 70.20 -87.41 105.66 75.35 3.91 20.74 33.94 20.39 21.79 2.96 17.38 0.01 2.30 1.24 67 S C C 75.02 5.13 12.60 19.05 104.30 69.63 -92.42 24.71 82.14 6.30 11.56 56.76 17.20 8.28 1.71 10.10 0.00 4.96 0.99 68 Q C C 86.22 7.51 13.42 22.43 117.80 130.57 -94.12 139.72 68.88 28.57 2.55 56.86 8.76 2.35 0.54 1.96 0.00 28.24 1.29 69 Y E E 123.04 8.23 15.09 24.61 121.07 -142.43 -104.59 137.73 16.57 83.22 0.21 15.42 1.14 0.16 0.08 0.13 0.00 82.14 0.93 70 I E E 33.91 14.59 13.70 29.33 127.00 -169.83 -123.71 142.99 2.06 97.90 0.03 1.88 0.18 0.03 0.02 0.01 0.00 97.62 0.26 71 H E E 111.01 4.89 20.21 25.83 115.59 -129.15 -95.65 130.84 2.82 97.15 0.03 2.77 0.16 0.02 0.02 0.01 0.00 95.25 1.77 72 C C C 11.32 19.08 9.63 29.17 109.06 -120.14 -72.68 125.11 86.27 13.69 0.04 86.58 0.51 0.08 0.01 0.02 0.00 12.16 0.66 73 E C T 125.95 3.20 17.20 21.33 93.08 -149.37 -69.05 -26.49 99.30 0.22 0.48 0.66 8.15 90.49 0.02 0.46 0.00 0.15 0.05 74 N C T 91.64 5.56 14.54 21.28 99.35 44.69 -82.68 -39.27 99.46 0.08 0.45 0.10 3.86 95.59 0.01 0.38 0.00 0.04 0.02 75 C C T 64.74 5.40 12.74 19.81 102.68 19.88 -108.93 -11.78 99.59 0.10 0.32 0.40 4.65 94.56 0.01 0.31 0.00 0.06 0.02 76 G C C 53.66 2.83 13.67 17.94 94.95 -122.59 76.16 8.64 99.47 0.43 0.10 84.56 10.63 4.27 0.02 0.09 0.00 0.25 0.18 77 R C C 110.92 4.99 13.69 20.71 118.68 141.99 -79.76 146.71 95.59 4.39 0.02 93.06 2.67 0.10 0.00 0.01 0.00 3.86 0.29 78 D E E 101.88 4.44 17.14 23.27 113.51 -117.83 -83.76 131.64 2.50 97.49 0.01 2.36 0.17 0.01 0.00 0.00 0.00 95.96 1.49 79 V E E 23.97 15.77 13.40 30.08 133.01 172.50 -137.67 151.32 1.03 98.97 0.00 1.03 0.04 0.00 0.00 0.00 0.00 98.68 0.23 80 S E E 39.66 6.60 21.15 28.50 116.24 -108.12 -74.98 149.15 13.22 86.75 0.04 13.15 0.32 0.03 0.01 0.02 0.00 85.87 0.60 81 A H G 31.29 17.76 13.79 31.11 91.97 -115.93 -59.94 -34.41 23.63 0.67 75.70 2.18 2.87 17.66 13.55 63.08 0.02 0.51 0.12 82 N H G 104.90 4.84 19.62 25.04 91.71 61.04 -73.90 -15.22 21.82 0.39 77.78 1.49 2.26 17.30 15.85 62.73 0.02 0.27 0.10 83 R H G 115.39 6.88 19.18 26.82 97.91 52.61 -98.79 -0.87 19.17 0.67 80.16 5.44 3.18 10.73 19.64 60.40 0.01 0.42 0.18 84 L H H 20.94 21.18 13.77 34.35 93.10 96.42 -63.35 -41.85 10.69 0.29 89.02 5.38 2.13 4.48 83.46 4.25 0.03 0.13 0.14 85 A H H 42.40 9.35 19.10 29.12 91.73 54.08 -63.23 -41.65 1.68 0.01 98.31 0.41 0.19 0.90 97.24 1.25 0.00 0.00 0.00 86 A H H 53.24 3.10 22.05 24.60 91.64 50.48 -64.18 -40.95 0.76 0.01 99.24 0.16 0.06 0.44 98.10 1.23 0.00 0.00 0.00 87 H H H 37.17 13.18 17.83 31.87 91.96 50.13 -64.99 -41.85 0.63 0.01 99.36 0.12 0.05 0.38 98.39 1.06 0.00 0.00 0.00 88 L H H 32.88 16.88 16.43 33.24 92.05 50.20 -64.00 -41.65 0.85 0.01 99.15 0.13 0.07 0.54 98.26 0.98 0.00 0.00 0.00 89 Q H H 96.84 4.16 19.51 24.07 91.69 50.80 -63.77 -41.23 2.61 0.01 97.37 0.29 0.19 1.99 95.53 1.98 0.01 0.01 0.00 90 R H H 131.86 3.03 19.18 22.30 92.14 49.85 -65.91 -39.95 8.50 0.03 91.47 0.55 0.49 7.42 88.84 2.66 0.02 0.01 0.01 91 C H H 33.78 12.98 14.05 27.80 93.22 49.71 -68.42 -37.73 20.01 0.14 79.84 2.16 2.03 15.91 76.46 3.23 0.07 0.06 0.08 92 L C H 76.58 8.99 14.00 23.86 95.37 49.87 -77.10 -17.34 54.07 1.07 44.86 6.70 8.63 38.77 40.46 4.08 0.21 0.44 0.72 93 S C T 76.10 3.22 13.71 17.94 99.98 57.98 -67.69 -0.68 70.87 1.11 28.02 14.13 12.09 44.80 22.77 4.96 0.05 0.46 0.73 94 R C T 146.92 3.82 11.27 16.68 101.45 85.21 -82.68 -3.61 74.56 1.61 23.83 26.20 18.80 30.84 14.22 8.18 0.03 0.65 1.08 95 G C C 46.15 4.73 10.65 16.96 109.68 60.30 -40.52 20.09 78.59 1.62 19.79 33.93 18.14 27.59 8.30 10.30 0.01 0.70 1.02 96 A C C 81.37 3.08 9.16 13.94 107.32 38.11 -83.53 93.58 80.75 2.40 16.85 48.02 17.29 15.83 6.46 9.88 0.00 1.14 1.37 97 R C C 169.95 2.21 8.62 12.57 109.52 87.67 -87.09 118.56 88.55 2.32 9.13 77.11 3.16 9.24 3.85 4.14 0.00 1.30 1.19 98 R C C 172.37 2.33 10.69 14.65 110.18 -142.77 -87.25 121.35 99.84 0.10 0.07 99.68 0.14 0.09 0.02 0.01 0.00 0.04 0.02