# 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 99.13 8.30 13.42 22.92 118.73 -147.41 -96.33 137.18 99.95 0.05 0.00 99.88 0.08 0.01 0.00 0.00 0.00 0.02 0.01 1 P C C 82.71 6.38 14.39 22.15 113.00 -110.36 -72.10 145.93 97.40 1.69 0.91 94.49 0.72 2.58 0.22 0.45 0.00 0.93 0.60 2 A C C 59.40 9.34 16.53 26.33 101.63 -129.55 -77.99 -15.94 95.76 2.85 1.39 63.80 24.72 6.90 0.30 1.30 0.00 1.52 1.46 3 I C C 20.22 22.55 12.16 33.77 120.58 37.09 -107.56 133.73 95.78 3.54 0.68 87.30 7.28 0.95 0.20 0.48 0.00 1.69 2.09 4 E C C 98.52 5.06 24.03 29.57 127.31 -167.03 -117.84 150.64 97.31 2.48 0.21 95.55 1.76 0.18 0.07 0.10 0.00 1.18 1.15 5 V C T 72.92 13.36 16.56 29.70 110.84 -90.49 -61.74 133.99 98.83 0.99 0.18 0.46 1.73 97.05 0.01 0.10 0.00 0.41 0.24 6 G C T 28.37 9.10 20.89 31.04 96.41 25.68 89.77 -6.39 99.69 0.24 0.06 0.37 1.66 97.75 0.00 0.04 0.00 0.16 0.01 7 R C C 63.31 13.68 21.21 35.21 118.79 127.45 -77.12 146.30 93.04 6.95 0.01 90.98 1.95 0.05 0.00 0.01 0.00 6.86 0.17 8 I E E 33.64 16.35 24.35 40.48 115.25 -126.24 -91.15 132.06 1.03 98.97 0.00 1.10 0.02 0.00 0.00 0.00 0.00 98.18 0.69 9 A E E 2.09 25.37 20.95 46.43 133.27 -177.24 -131.28 157.12 0.50 99.50 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.02 10 V E E 27.82 13.17 25.81 39.73 121.96 -134.37 -115.43 134.25 0.66 99.33 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.29 0.05 11 V E E 18.97 18.98 16.78 36.41 109.45 -119.73 -74.39 124.58 12.67 87.27 0.06 12.56 0.34 0.04 0.03 0.03 0.00 86.44 0.56 12 I C C 67.55 9.07 19.74 29.96 99.78 176.66 -98.23 -24.97 91.68 8.04 0.28 54.31 35.25 2.14 0.04 0.28 0.00 7.45 0.51 13 A C S 56.15 4.12 19.85 24.68 136.74 14.55 -144.78 157.28 96.83 2.60 0.57 11.32 81.16 4.79 0.10 0.36 0.00 1.42 0.84 14 G C S 44.87 2.39 17.34 20.15 125.96 25.36 87.22 -161.58 92.35 1.18 6.47 6.19 74.75 12.54 0.84 4.19 0.01 0.47 1.01 15 R C T 180.46 1.97 16.38 18.88 93.54 -40.52 -69.09 -20.99 84.00 0.35 15.65 1.05 13.83 68.66 0.47 15.56 0.00 0.16 0.27 16 R C T 81.00 13.91 12.89 26.91 95.63 48.13 -96.62 7.97 88.09 0.35 11.56 2.56 7.53 76.53 0.52 12.43 0.00 0.18 0.23 17 A C T 52.26 10.24 13.09 24.81 111.70 131.94 -61.12 133.90 97.08 0.47 2.45 1.02 2.06 94.31 0.25 1.81 0.00 0.18 0.38 18 G C T 49.12 3.59 19.95 24.16 93.96 21.50 85.36 -2.76 98.75 0.23 1.01 1.13 2.64 95.02 0.07 0.94 0.00 0.16 0.05 19 Q C C 63.24 11.85 18.24 30.74 120.62 127.81 -79.29 147.30 96.20 3.62 0.18 88.18 7.44 0.56 0.04 0.16 0.00 3.35 0.28 20 K E E 84.23 11.53 24.32 35.65 116.51 -121.48 -85.70 135.32 2.59 97.34 0.07 2.41 0.18 0.03 0.06 0.02 0.00 96.55 0.74 21 V E E 2.71 24.93 20.43 45.81 138.45 175.05 -143.85 160.59 0.53 99.46 0.01 0.45 0.03 0.00 0.00 0.00 0.00 99.49 0.01 22 V E E 13.07 17.74 27.41 45.54 118.09 -120.30 -104.07 130.86 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 23 V E E 4.03 24.57 20.74 46.17 109.44 -124.23 -77.23 122.57 0.23 99.76 0.01 0.21 0.01 0.00 0.01 0.00 0.00 99.77 0.01 24 A E E 23.52 14.53 23.47 38.31 101.07 174.84 -97.69 -31.66 3.25 96.61 0.14 2.42 0.51 0.07 0.05 0.04 0.00 96.86 0.04 25 D E E 61.19 6.11 25.90 32.84 139.33 -2.09 -153.83 150.45 3.22 96.68 0.09 2.17 0.63 0.11 0.02 0.04 0.00 96.99 0.04 26 I E E 58.58 17.43 13.86 30.74 112.18 -129.76 -97.57 118.44 3.64 96.25 0.11 3.31 0.31 0.07 0.04 0.04 0.00 95.93 0.30 27 I E E 79.03 6.83 16.74 25.01 101.22 176.50 -92.65 -35.97 27.42 72.25 0.33 16.76 9.94 1.62 0.09 0.24 0.00 70.73 0.62 28 D E E 78.52 2.57 19.74 21.78 136.86 -16.80 -158.22 169.78 40.59 58.92 0.49 6.07 23.81 12.16 0.06 0.47 0.00 55.91 1.52 29 K C T 148.21 4.51 15.58 21.83 92.69 -79.62 -63.98 -21.07 99.38 0.29 0.33 0.60 19.07 79.77 0.01 0.31 0.00 0.18 0.05 30 N C T 78.11 9.61 16.54 26.69 102.39 32.86 -111.72 -4.24 99.38 0.44 0.18 0.66 18.57 80.22 0.01 0.17 0.00 0.33 0.04 31 F E E 48.18 11.86 20.09 33.26 132.83 62.34 -132.85 145.59 3.10 96.90 0.00 2.53 0.35 0.02 0.00 0.00 0.00 96.90 0.20 32 V E E 4.29 23.59 18.00 42.30 129.39 -172.40 -128.45 143.09 0.21 99.79 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.80 0.00 33 L E E 25.61 12.94 26.67 40.86 117.02 -138.85 -99.63 130.19 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.79 0.00 34 V E E 3.37 25.19 19.34 45.12 124.15 -169.62 -117.17 137.98 0.88 99.12 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.14 0.04 35 T E E 30.86 12.39 24.76 37.57 122.94 -162.97 -111.15 141.52 13.64 86.32 0.04 11.62 1.51 0.11 0.01 0.02 0.00 86.39 0.33 36 G C C 11.72 15.27 19.33 34.57 133.07 81.08 119.60 173.74 73.77 25.29 0.94 56.99 14.09 2.14 0.19 0.87 0.00 24.31 1.41 37 A C T 54.66 8.10 18.96 27.36 108.75 -66.59 -75.50 137.61 83.16 9.64 7.20 21.51 23.14 39.53 1.06 6.02 0.04 6.80 1.90 38 G C T 42.66 6.17 17.07 23.84 105.09 17.61 40.75 26.91 86.32 5.00 8.67 23.43 20.98 42.34 1.38 7.28 0.02 3.03 1.53 39 L C C 76.80 11.63 10.86 22.64 106.27 100.91 -86.77 74.21 81.54 6.17 12.28 41.55 23.48 17.09 2.99 8.81 0.02 2.91 3.15 40 N C T 111.48 3.13 13.92 18.09 103.90 70.11 -88.54 22.26 87.15 2.58 10.27 26.29 28.10 33.55 2.60 6.93 0.01 1.26 1.27 41 K C S 149.77 3.25 13.74 18.01 99.17 -78.34 -13.40 7.80 84.48 4.57 10.95 19.10 34.55 32.23 2.50 7.29 0.02 2.59 1.71 42 V C C 74.54 8.85 11.40 21.25 115.00 89.22 -100.58 130.74 78.89 14.62 6.49 41.80 28.33 9.84 1.98 4.27 0.02 9.12 4.65 43 K C C 127.44 3.72 17.46 22.00 113.88 -113.27 -91.09 134.09 82.07 15.64 2.28 68.36 8.99 4.04 0.62 1.61 0.00 14.42 1.96 44 R C C 87.88 16.74 12.32 28.11 117.72 -118.96 -83.31 138.14 73.28 26.29 0.43 68.32 3.08 0.61 0.11 0.26 0.00 26.73 0.89 45 R E E 96.21 8.86 20.62 30.22 130.29 -173.16 -129.06 148.18 15.59 84.25 0.16 14.48 0.94 0.13 0.08 0.08 0.00 83.46 0.84 46 R E E 120.03 10.40 20.14 30.85 115.80 -116.57 -82.02 134.60 3.78 96.13 0.08 3.64 0.21 0.02 0.08 0.03 0.00 94.66 1.35 47 M E E 17.71 20.16 15.44 35.63 134.02 -174.73 -134.57 155.50 14.34 85.54 0.12 14.11 0.42 0.04 0.07 0.06 0.00 84.63 0.67 48 N E E 54.06 7.62 23.30 31.57 113.33 -106.96 -74.96 139.14 35.27 64.60 0.12 36.46 0.40 0.04 0.05 0.06 0.00 61.77 1.22 49 V H G 38.43 19.91 14.35 33.75 91.70 -124.34 -61.01 -28.95 5.23 0.17 94.60 0.40 0.51 3.54 0.50 94.89 0.00 0.16 0.00 50 K H G 139.12 3.21 22.03 26.15 89.93 65.25 -68.16 -17.79 5.17 0.14 94.70 0.18 0.38 4.00 0.31 95.01 0.00 0.12 0.00 51 H H G 49.70 14.63 18.12 33.33 94.62 58.01 -93.88 -3.60 6.07 0.26 93.66 0.43 0.66 4.10 0.31 94.25 0.00 0.24 0.00 52 L E E 5.94 25.95 13.04 39.20 121.68 84.33 -104.95 136.69 16.22 83.65 0.13 14.68 1.87 0.10 0.04 0.09 0.00 81.11 2.10 53 E E E 85.55 7.09 25.62 33.27 128.71 -172.94 -130.41 143.04 3.58 96.41 0.00 3.27 0.16 0.01 0.00 0.00 0.00 96.31 0.25 54 P E E 65.20 13.79 18.47 31.76 114.14 -105.11 -66.79 142.32 4.99 95.00 0.01 4.71 0.23 0.01 0.00 0.00 0.00 94.08 0.97 55 L C C 27.03 19.03 11.46 30.02 123.04 -142.72 -101.63 146.94 74.80 25.14 0.06 74.76 0.82 0.07 0.01 0.04 0.00 23.58 0.73 56 P C S 111.20 1.90 19.54 21.25 93.60 -128.02 -72.16 -18.60 88.69 11.17 0.14 19.94 62.01 5.44 0.01 0.17 0.00 12.10 0.33 57 E C E 88.21 8.07 16.48 25.74 124.93 58.39 -116.65 140.69 61.78 37.87 0.35 30.55 26.27 5.65 0.03 0.42 0.00 36.01 1.06 58 R E E 122.49 10.86 16.23 28.12 124.01 -160.31 -118.99 136.05 42.18 57.62 0.20 39.78 1.84 0.22 0.08 0.13 0.00 50.57 7.38 59 V C C 20.74 19.02 13.21 32.39 121.11 -159.09 -113.56 131.83 61.77 38.16 0.07 60.39 1.34 0.11 0.02 0.04 0.00 36.01 2.08 60 N C C 115.69 2.30 23.23 25.29 110.59 -137.94 -88.99 120.29 76.87 23.07 0.06 72.13 3.82 0.22 0.01 0.05 0.00 22.57 1.18 61 I C C 25.44 21.94 8.96 29.35 125.70 -163.29 -118.62 143.14 90.65 9.24 0.11 88.49 2.56 0.17 0.04 0.06 0.00 6.52 2.17 62 Q C C 115.17 2.48 18.91 21.22 117.66 -117.19 -80.97 151.53 98.37 1.47 0.16 97.14 1.19 0.26 0.05 0.07 0.00 0.65 0.65 63 R C T 174.81 3.11 13.27 18.48 109.73 -89.63 -61.56 135.42 99.31 0.29 0.40 2.06 8.41 88.90 0.05 0.29 0.00 0.19 0.09 64 G C T 62.84 0.96 16.68 16.57 95.43 19.48 83.71 -1.05 99.61 0.15 0.24 3.24 6.75 89.62 0.02 0.22 0.00 0.11 0.03 65 A C C 20.27 16.32 8.72 25.15 117.17 144.09 -72.76 144.01 99.00 0.90 0.10 90.77 7.99 0.17 0.04 0.05 0.00 0.28 0.70 66 S C C 54.10 2.95 22.06 23.93 123.75 -131.89 -87.19 165.38 98.99 0.82 0.19 96.99 1.92 0.09 0.13 0.02 0.00 0.17 0.69 67 D H H 64.26 15.02 13.43 28.14 91.14 -104.60 -58.93 -37.53 1.71 0.00 98.28 0.34 0.35 0.83 98.32 0.16 0.00 0.00 0.00 68 E H H 131.91 1.64 20.25 21.00 91.30 53.92 -63.76 -40.56 0.45 0.00 99.55 0.08 0.04 0.24 99.53 0.10 0.00 0.00 0.00 69 E H H 86.94 5.53 19.96 26.08 91.85 48.89 -65.39 -40.91 0.10 0.00 99.90 0.02 0.01 0.05 99.86 0.06 0.00 0.00 0.00 70 I H H 4.52 24.34 14.07 38.75 91.23 49.85 -63.51 -44.06 0.04 0.00 99.96 0.01 0.00 0.02 99.95 0.02 0.00 0.00 0.00 71 K H H 77.94 12.05 20.31 32.26 91.02 50.52 -62.18 -42.19 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 72 A H H 60.07 1.87 24.10 23.72 91.50 50.24 -63.69 -42.46 0.14 0.00 99.86 0.01 0.01 0.10 99.87 0.02 0.00 0.00 0.00 73 A H H 18.53 11.80 18.75 32.01 91.73 50.24 -64.08 -42.35 0.39 0.00 99.61 0.04 0.02 0.27 99.62 0.04 0.00 0.00 0.00 74 L H H 8.64 22.55 14.05 36.53 91.98 49.86 -64.61 -42.12 1.02 0.01 98.97 0.15 0.07 0.68 98.91 0.18 0.00 0.00 0.00 75 E H H 122.22 4.04 18.29 23.62 91.68 50.96 -63.16 -39.76 2.32 0.01 97.67 0.28 0.15 1.71 97.26 0.58 0.00 0.00 0.00 76 G H H 58.31 1.22 17.79 18.10 90.99 53.42 -66.43 -24.72 12.26 0.02 87.72 0.42 0.42 11.44 86.88 0.80 0.01 0.01 0.01 77 A C T 36.39 13.08 12.11 25.84 93.49 55.41 -85.33 -3.91 76.56 0.04 23.40 0.64 1.53 72.93 23.91 0.94 0.00 0.01 0.04 78 G C T 58.53 1.40 20.24 20.37 95.43 -110.49 76.29 19.90 99.26 0.04 0.70 2.51 1.90 95.05 0.40 0.11 0.00 0.02 0.01 79 I C C 35.13 18.63 8.69 26.23 116.92 144.86 -93.99 132.14 96.66 2.66 0.68 94.21 2.06 0.79 0.28 0.24 0.00 1.70 0.70 80 S C C 76.10 2.84 17.97 21.45 119.67 -158.44 -102.92 141.52 88.09 10.29 1.63 81.29 4.44 2.42 0.67 0.79 0.00 8.30 2.09 81 L C C 89.92 11.70 10.17 21.94 112.27 -141.42 -89.75 126.71 81.45 17.05 1.50 78.84 1.40 1.49 0.68 0.59 0.00 11.52 5.49 82 E C C 130.17 3.52 14.43 19.39 109.78 95.95 -88.67 123.91 99.67 0.32 0.01 99.63 0.08 0.03 0.00 0.00 0.00 0.23 0.01