# 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 51.80 14.70 17.46 32.12 124.52 -174.83 -113.23 142.44 99.33 0.67 0.00 99.36 0.07 0.01 0.00 0.00 0.00 0.54 0.01 1 D E E 65.58 9.34 20.70 30.34 116.85 -129.06 -93.75 130.04 40.45 59.52 0.02 39.70 0.42 0.06 0.00 0.01 0.00 59.20 0.60 2 V E E 8.89 22.47 15.74 38.47 124.60 -166.48 -118.22 137.65 6.15 93.84 0.01 5.88 0.22 0.01 0.00 0.00 0.00 93.75 0.12 3 F E E 46.42 11.40 25.18 37.39 118.47 -153.81 -107.33 131.33 1.00 98.99 0.00 0.96 0.03 0.00 0.00 0.00 0.00 98.98 0.02 4 L E E 3.42 25.42 19.31 45.52 120.12 -162.88 -111.77 128.37 0.52 99.48 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.48 0.01 5 M E E 33.35 12.41 25.98 39.21 117.18 -157.47 -106.12 126.03 0.51 99.49 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.49 0.01 6 I E E 6.94 23.05 18.62 42.15 121.49 -167.21 -116.52 130.90 1.04 98.95 0.00 0.90 0.05 0.01 0.00 0.00 0.00 99.03 0.02 7 R E E 75.11 10.61 21.45 32.83 117.93 -159.24 -109.28 125.96 6.67 93.29 0.05 5.39 0.73 0.11 0.01 0.02 0.00 93.63 0.11 8 R E E 65.00 14.35 14.02 28.58 120.57 175.35 -130.70 122.06 30.72 69.00 0.28 24.27 4.43 1.34 0.05 0.22 0.00 69.25 0.45 9 H C T 127.65 4.52 16.06 21.39 102.91 -42.14 53.17 -120.74 98.33 1.04 0.63 9.30 25.31 63.69 0.06 0.65 0.00 0.85 0.15 10 K C T 162.92 2.22 15.03 17.75 97.70 -27.23 -84.53 2.33 98.47 0.99 0.54 7.20 25.10 66.12 0.04 0.59 0.00 0.82 0.13 11 T E E 54.15 9.24 13.30 24.17 122.99 98.09 -109.48 139.12 19.82 80.09 0.09 15.31 3.56 0.46 0.02 0.07 0.00 80.25 0.34 12 T E E 58.86 12.08 15.66 28.42 122.81 -159.01 -117.58 133.39 3.80 96.20 0.00 3.25 0.21 0.01 0.00 0.00 0.00 96.47 0.05 13 I E E 31.71 15.00 18.10 34.17 121.45 -166.66 -116.58 130.14 0.74 99.26 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.31 0.01 14 F E E 94.33 12.09 20.47 32.68 121.44 -162.04 -111.86 132.45 0.61 99.39 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.43 0.01 15 T E E 22.21 16.77 18.52 35.57 133.58 175.12 -137.91 152.04 1.41 98.59 0.00 1.35 0.03 0.00 0.00 0.00 0.00 98.59 0.02 16 D E E 79.85 7.85 24.49 32.90 115.31 -128.19 -91.14 130.10 3.71 96.28 0.00 3.45 0.21 0.01 0.00 0.00 0.00 96.27 0.06 17 A E E 5.89 23.79 14.52 38.33 133.81 165.02 -134.73 157.26 16.34 83.65 0.01 16.42 0.36 0.02 0.00 0.01 0.00 81.60 1.59 18 K C C 97.63 4.92 25.33 30.28 122.46 -120.19 -89.62 156.49 56.61 43.25 0.14 55.84 0.94 0.19 0.04 0.09 0.00 40.70 2.19 19 E C T 60.52 18.57 15.07 33.03 91.22 -107.64 -61.23 -27.42 99.56 0.19 0.25 0.22 2.37 97.10 0.01 0.16 0.00 0.10 0.03 20 S C T 75.51 3.63 22.30 26.54 93.73 57.30 -90.25 -0.49 99.69 0.10 0.21 0.32 2.23 97.18 0.01 0.20 0.00 0.06 0.01 21 S C C 14.17 16.54 15.41 33.18 118.33 121.57 -69.68 146.19 98.22 1.69 0.09 62.16 36.33 0.18 0.01 0.06 0.00 0.85 0.40 22 T E B 37.75 8.43 25.41 34.69 122.83 -120.84 -81.48 160.91 8.32 91.64 0.03 6.08 0.10 0.00 0.03 0.00 0.00 4.65 89.13 23 V H H 4.79 25.63 17.00 43.52 90.49 -112.06 -58.34 -39.33 2.33 0.06 97.61 0.29 0.33 1.86 96.85 0.59 0.03 0.03 0.01 24 F H H 86.96 10.27 23.85 34.15 91.39 54.58 -62.73 -40.57 0.68 0.00 99.32 0.03 0.04 0.60 98.87 0.45 0.00 0.00 0.00 25 E H H 81.82 6.02 25.84 32.31 91.59 49.72 -65.19 -40.58 0.23 0.00 99.77 0.02 0.01 0.18 99.43 0.35 0.00 0.00 0.00 26 L H H 2.19 26.00 19.39 45.70 91.42 50.42 -64.12 -43.03 0.12 0.00 99.88 0.01 0.01 0.08 99.82 0.08 0.00 0.00 0.00 27 K H H 38.23 20.19 21.19 39.91 91.33 52.51 -61.80 -42.75 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 28 R H H 133.52 3.37 25.50 28.93 91.63 50.13 -64.34 -41.61 0.09 0.00 99.91 0.00 0.00 0.08 99.89 0.02 0.00 0.00 0.00 29 I H H 46.57 11.05 22.98 34.48 92.09 47.98 -65.17 -42.87 0.16 0.00 99.84 0.01 0.01 0.14 99.82 0.03 0.00 0.00 0.00 30 V H H 2.29 25.60 17.47 43.57 91.97 47.65 -65.80 -42.62 0.44 0.00 99.56 0.02 0.02 0.35 99.55 0.05 0.00 0.00 0.00 31 E H H 50.17 13.30 17.88 31.64 91.67 51.48 -63.59 -40.69 1.28 0.00 98.71 0.10 0.08 0.97 98.61 0.24 0.00 0.00 0.00 32 G H H 45.29 2.32 21.26 22.59 92.32 51.42 -65.63 -40.19 5.03 0.01 94.96 0.21 0.21 4.57 94.39 0.61 0.01 0.00 0.00 33 I H H 66.20 11.05 17.41 28.88 96.03 43.08 -76.70 -37.76 9.60 0.02 90.37 0.29 0.63 8.79 89.70 0.55 0.02 0.01 0.01 34 L H H 34.29 16.32 13.33 29.59 98.49 37.56 -94.79 -9.53 26.60 0.22 73.18 2.96 6.68 17.21 72.15 0.68 0.09 0.05 0.19 35 K C T 168.53 1.27 18.94 19.59 94.47 -129.49 56.80 38.03 99.56 0.06 0.39 37.86 8.34 53.43 0.19 0.12 0.00 0.03 0.03 36 R C C 73.89 10.46 13.36 25.32 131.52 119.95 -126.36 153.20 99.75 0.23 0.02 67.03 32.66 0.07 0.01 0.01 0.00 0.05 0.17 37 P C C 62.09 4.23 20.32 24.87 113.89 -97.48 -65.05 146.77 99.92 0.06 0.03 99.74 0.19 0.02 0.01 0.00 0.00 0.02 0.02 38 P H G 35.32 19.91 11.45 30.60 91.16 -117.13 -57.92 -34.13 6.15 0.03 93.82 0.44 0.45 3.75 0.40 94.93 0.00 0.02 0.00 39 D H G 108.54 3.18 19.94 24.11 90.32 61.92 -69.23 -17.74 5.28 0.04 94.67 0.19 0.33 3.67 0.33 95.44 0.00 0.03 0.00 40 E H G 101.35 5.96 20.24 26.92 96.03 53.40 -96.14 -1.39 6.07 0.14 93.80 0.70 0.70 3.32 0.36 94.81 0.00 0.10 0.00 41 Q C C 14.17 23.32 12.86 35.94 120.67 95.49 -92.54 140.87 60.37 38.95 0.67 52.07 9.09 0.39 0.18 0.52 0.00 35.51 2.23 42 R E E 89.02 9.84 27.24 37.50 127.02 -168.68 -125.08 140.15 14.24 85.70 0.06 14.68 0.32 0.03 0.02 0.03 0.00 83.12 1.80 43 L E E 4.23 25.52 18.44 44.78 116.09 -136.44 -93.85 131.00 5.26 94.71 0.03 4.57 0.57 0.04 0.01 0.02 0.00 94.64 0.14 44 Y E E 35.45 12.64 22.83 36.59 132.13 -176.70 -131.39 149.13 1.01 98.98 0.02 0.90 0.10 0.02 0.01 0.01 0.00 98.70 0.26 45 K E E 47.93 16.76 15.25 31.80 119.77 -166.44 -126.55 121.70 3.07 96.80 0.13 1.53 0.97 0.74 0.03 0.10 0.00 95.93 0.70 46 D C T 100.94 4.88 16.19 22.31 96.94 -27.66 51.70 38.76 99.69 0.12 0.18 0.26 3.11 96.39 0.00 0.15 0.00 0.07 0.01 47 D C T 125.38 1.93 14.75 17.50 93.83 -43.62 63.05 12.40 99.77 0.09 0.14 0.35 3.86 95.60 0.01 0.11 0.00 0.06 0.01 48 Q E E 109.08 3.08 16.32 20.90 122.81 105.67 -111.23 138.26 2.73 97.26 0.01 1.53 1.14 0.07 0.00 0.01 0.00 95.81 1.45 49 L E E 90.78 9.30 15.95 26.31 113.63 -114.65 -71.42 137.56 4.64 95.35 0.01 4.40 0.19 0.01 0.00 0.00 0.00 94.13 1.25 50 L C C 15.30 22.71 10.18 32.51 114.50 -116.14 -74.99 139.01 87.74 12.25 0.02 86.96 0.88 0.06 0.00 0.01 0.00 11.72 0.37 51 D C C 86.15 3.97 22.98 26.53 110.95 -138.88 -92.40 120.56 99.23 0.72 0.05 98.36 0.87 0.14 0.01 0.02 0.00 0.33 0.27 52 D C T 75.97 14.34 12.75 26.89 92.95 -141.09 -65.64 -16.15 99.57 0.17 0.26 0.81 3.52 95.31 0.03 0.18 0.00 0.10 0.06 53 G C T 55.82 2.18 18.81 21.00 92.86 59.64 -86.46 -4.44 99.74 0.09 0.17 0.92 2.97 95.88 0.01 0.14 0.00 0.07 0.01 54 K C C 73.89 9.93 16.15 27.29 121.96 98.57 -87.24 150.37 97.94 1.98 0.09 66.69 31.17 0.35 0.02 0.07 0.00 0.88 0.82 55 T E B 33.36 10.89 21.64 33.27 122.70 -122.29 -85.65 159.59 13.56 86.34 0.10 8.79 0.39 0.01 0.08 0.01 0.00 5.10 85.62 56 L H G 5.29 25.81 14.47 41.21 90.54 -111.56 -58.71 -37.77 36.81 0.68 62.51 1.58 2.89 32.98 12.86 48.77 0.08 0.40 0.44 57 G H G 30.82 12.09 18.73 31.02 90.83 59.55 -63.95 -34.35 22.68 0.08 77.23 0.50 1.07 21.72 14.84 61.78 0.01 0.05 0.03 58 E H G 131.87 2.90 21.58 24.77 91.00 56.63 -69.07 -23.36 18.16 0.09 81.75 0.59 1.23 16.42 16.71 64.94 0.01 0.05 0.04 59 C H G 30.11 16.59 15.19 31.97 95.45 54.16 -91.84 0.00 43.05 0.23 56.72 0.93 3.06 39.36 14.03 42.24 0.04 0.10 0.23 60 G C T 42.19 5.09 23.25 28.86 98.08 -100.82 90.85 10.28 98.57 0.17 1.26 6.93 3.29 88.64 0.41 0.55 0.00 0.10 0.07 61 F C C 13.35 24.28 11.52 35.59 114.15 144.06 -83.38 129.28 95.05 4.23 0.72 91.23 2.86 0.76 0.33 0.27 0.00 1.52 3.03 62 T C C 56.78 6.65 22.94 29.75 132.11 174.30 -126.55 160.94 90.06 8.11 1.83 82.18 5.14 1.78 0.98 0.72 0.00 2.77 6.44 63 S C T 48.10 15.11 14.00 28.43 95.18 -112.55 -67.65 -26.31 65.68 7.40 26.92 19.51 17.72 30.02 9.88 14.66 0.32 3.02 4.87 64 Q C T 136.32 2.11 18.35 20.50 93.72 59.97 -73.87 -18.95 73.07 1.73 25.21 10.15 16.71 46.43 9.59 14.85 0.07 0.87 1.33 65 T C T 70.99 7.14 16.43 24.37 100.51 41.29 -98.57 -12.95 73.70 3.21 23.09 13.00 18.64 42.55 9.87 12.06 0.15 1.55 2.18 66 A C C 24.57 18.64 10.03 27.41 116.59 86.16 -95.30 140.58 83.15 7.63 9.21 38.96 34.31 9.94 5.05 3.44 0.04 2.58 5.68 67 R C C 133.88 4.13 18.19 22.99 117.34 -123.68 -83.95 144.02 90.33 6.62 3.05 55.20 26.73 7.90 0.80 2.33 0.00 2.70 4.35 68 P C T 87.45 7.63 14.18 22.82 98.07 -95.35 -63.38 -16.84 94.97 1.29 3.74 12.12 19.19 63.05 0.40 3.89 0.00 0.78 0.58 69 Q C T 120.22 4.69 17.34 22.80 96.92 50.92 -86.38 0.31 93.42 2.84 3.73 17.86 20.19 55.13 0.46 3.65 0.00 1.72 0.99 70 A C S 36.28 12.41 15.71 28.91 117.75 101.80 -99.84 133.61 94.76 4.83 0.42 46.25 48.00 1.04 0.11 0.28 0.00 2.08 2.24 71 P C C 48.80 13.00 19.55 32.53 112.29 -118.96 -70.01 148.62 94.73 4.20 1.06 75.94 14.10 4.57 0.22 0.96 0.00 2.91 1.29 72 A C C 18.94 20.18 18.30 37.54 116.22 -122.72 -83.32 139.42 77.73 21.21 1.05 62.89 10.74 3.08 0.18 1.03 0.00 20.53 1.56 73 T E E 46.33 12.76 25.68 38.31 121.60 -138.98 -109.50 134.88 22.87 76.53 0.60 18.90 3.77 0.77 0.18 0.41 0.00 73.91 2.06 74 V E E 8.06 24.60 19.82 44.29 122.92 -162.83 -116.11 134.11 7.38 92.45 0.17 6.62 0.86 0.19 0.06 0.09 0.00 91.37 0.80 75 G E E 8.53 16.57 26.66 42.94 132.33 -173.31 -125.64 157.32 5.45 94.49 0.06 4.64 0.78 0.09 0.01 0.02 0.00 94.30 0.15 76 L E E 10.06 23.15 23.15 45.94 120.38 -135.03 -106.19 134.16 3.66 96.25 0.09 3.47 0.19 0.03 0.03 0.02 0.00 96.14 0.12 77 A E E 8.83 18.84 22.59 41.51 128.13 -170.33 -123.35 143.06 3.21 96.70 0.09 2.99 0.16 0.03 0.04 0.02 0.00 96.63 0.13 78 F E E 29.42 16.12 20.27 36.88 126.56 -165.87 -119.97 144.74 2.27 97.68 0.05 1.93 0.22 0.04 0.02 0.02 0.00 97.63 0.15 79 R E E 96.46 11.06 16.10 27.93 113.98 -129.99 -92.00 127.35 7.75 92.14 0.10 6.26 1.09 0.22 0.02 0.06 0.00 92.06 0.29 80 A E E 46.44 8.77 10.89 21.15 121.55 173.06 -126.10 129.03 22.68 76.98 0.34 15.20 6.16 2.29 0.05 0.31 0.00 75.18 0.81 81 D C T 129.84 0.84 13.22 13.38 98.91 -21.29 47.21 -16.91 99.18 0.47 0.35 2.45 18.72 77.97 0.02 0.41 0.00 0.36 0.07 82 D C T 130.24 1.28 11.72 13.61 96.37 -39.72 32.94 11.52 99.32 0.32 0.35 2.30 20.92 76.06 0.02 0.41 0.00 0.24 0.05 83 T E E 80.81 2.75 14.47 18.60 128.02 88.81 -122.04 151.17 22.79 77.10 0.11 13.51 9.81 0.98 0.02 0.09 0.00 74.34 1.24 84 F E E 72.90 15.75 9.37 24.69 117.24 -127.82 -93.60 133.24 11.35 88.61 0.05 9.90 1.08 0.13 0.01 0.03 0.00 88.08 0.77 85 E E E 85.21 6.46 18.56 26.16 123.01 -163.81 -113.44 141.50 16.78 83.15 0.06 15.20 1.05 0.13 0.02 0.04 0.00 83.05 0.53 86 A E E 61.15 8.58 18.31 27.58 115.12 -105.12 -69.46 143.46 30.71 69.10 0.19 28.34 1.64 0.24 0.05 0.11 0.00 68.89 0.73 87 L C C 25.74 21.33 12.00 32.71 115.49 -121.52 -82.08 136.07 53.65 46.16 0.19 50.16 1.86 0.27 0.04 0.12 0.00 46.97 0.58 88 C E E 71.27 5.58 23.16 29.21 119.37 -153.76 -111.74 131.38 29.33 70.55 0.12 27.31 1.45 0.19 0.04 0.08 0.00 69.51 1.42 89 I E E 37.44 20.96 12.15 32.15 118.23 -158.49 -108.75 126.93 28.61 71.30 0.09 26.40 1.53 0.14 0.04 0.06 0.00 67.48 4.36 90 E C C 102.88 4.69 20.57 25.97 120.60 -169.19 -115.24 133.40 54.46 45.44 0.10 50.33 2.65 0.23 0.02 0.08 0.00 45.52 1.17 91 P C C 71.20 10.59 14.89 25.96 113.37 -107.14 -67.34 144.64 64.06 31.91 4.03 52.09 6.81 4.43 0.53 4.08 0.00 30.17 1.89 92 F C C 102.36 11.23 12.81 24.33 103.33 -137.19 -85.71 26.73 87.80 5.48 6.72 46.24 20.78 20.20 0.52 7.29 0.00 3.64 1.32 93 S C C 66.65 6.01 13.01 20.25 114.08 73.09 -99.92 131.88 90.27 3.99 5.74 40.91 31.67 17.08 0.47 6.15 0.00 2.23 1.49 94 S C S 80.17 3.51 13.53 18.53 116.69 -111.21 -97.97 130.00 97.56 2.11 0.33 44.25 52.52 1.02 0.08 0.22 0.00 0.88 1.02 95 P C C 76.26 7.86 10.87 20.25 116.91 -107.68 -69.61 151.21 99.26 0.54 0.19 88.44 10.13 0.75 0.05 0.13 0.00 0.26 0.25 96 P C C 77.40 6.61 11.30 19.63 113.59 -103.45 -66.38 150.37 97.92 1.04 1.03 87.00 6.88 3.99 0.21 0.85 0.00 0.52 0.54 97 E C C 152.07 1.77 13.11 16.04 112.21 -109.09 -79.81 132.94 92.20 6.39 1.42 76.07 11.64 3.40 0.40 1.07 0.00 2.30 5.12 98 L C C 88.19 8.98 7.43 17.37 116.47 -129.42 -91.53 138.47 95.54 2.38 2.08 74.97 16.69 3.64 0.49 1.74 0.00 1.32 1.15 99 P C C 90.84 3.42 10.37 15.42 112.09 -105.26 -67.46 149.45 96.40 1.05 2.55 59.43 12.25 24.49 0.44 2.37 0.00 0.62 0.40 100 D C C 124.21 1.39 10.28 12.83 105.80 -105.75 -78.03 100.24 96.52 1.12 2.36 73.35 3.47 20.02 0.47 1.55 0.00 0.65 0.49 101 V C C 89.66 7.25 9.51 17.96 107.64 127.17 -92.19 65.81 99.84 0.14 0.02 99.68 0.15 0.07 0.01 0.00 0.00 0.07 0.02