# 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 98.52 7.82 12.65 21.55 114.64 -143.08 -86.65 139.89 99.20 0.29 0.51 98.87 0.23 0.26 0.37 0.05 0.00 0.13 0.08 1 A C C 68.18 4.68 12.03 18.13 102.43 -110.68 -73.61 -10.26 61.43 1.52 37.06 53.30 1.49 6.66 35.12 2.05 0.00 0.71 0.68 2 S H H 68.85 3.69 11.39 16.44 101.38 57.79 -72.41 -13.46 47.49 1.02 51.49 30.08 6.77 10.93 48.52 2.78 0.01 0.46 0.45 3 G H H 40.48 4.31 11.76 17.47 95.76 54.33 -65.70 -35.75 25.01 0.50 74.48 15.07 4.52 6.96 69.73 3.26 0.01 0.23 0.21 4 A H H 61.37 3.50 12.47 17.29 93.38 54.28 -66.11 -38.43 8.91 0.25 90.84 4.40 1.55 3.61 86.30 3.90 0.02 0.16 0.07 5 A H H 57.46 3.67 12.95 17.85 92.90 52.88 -66.03 -38.84 6.23 0.26 93.51 2.79 0.95 2.94 88.64 4.40 0.02 0.20 0.06 6 R H H 128.21 3.73 13.62 18.52 92.95 52.19 -66.49 -39.15 4.80 0.25 94.94 1.93 0.70 2.48 89.94 4.69 0.02 0.20 0.05 7 W H H 138.26 4.65 13.35 19.24 93.00 51.60 -66.41 -39.18 3.37 0.21 96.42 1.18 0.46 1.89 91.41 4.82 0.02 0.18 0.03 8 L H H 99.71 3.70 13.80 18.63 92.75 52.11 -67.07 -36.02 5.07 0.28 94.66 1.19 0.57 3.38 88.73 5.81 0.04 0.22 0.05 9 V H H 95.67 2.89 14.16 17.88 94.21 52.01 -69.96 -33.78 14.80 0.36 84.84 1.79 1.37 11.69 78.51 6.14 0.14 0.23 0.13 10 L H H 99.95 4.48 13.35 18.82 96.55 52.32 -80.05 -17.48 30.01 0.70 69.28 5.08 4.51 21.47 62.13 5.86 0.24 0.35 0.38 11 A H H 54.51 7.26 10.74 19.52 105.59 80.22 -78.74 64.53 42.42 3.02 54.56 21.24 11.40 11.61 39.80 13.06 0.15 1.63 1.11 12 P H H 92.17 3.63 12.81 17.75 101.64 64.50 -76.78 -10.73 43.75 5.05 51.20 25.19 7.38 11.92 35.95 14.72 0.09 3.46 1.28 13 V H H 98.09 4.13 11.52 17.16 105.85 63.33 -89.94 41.26 41.29 7.69 51.02 22.11 8.99 12.01 34.74 14.75 0.25 5.06 2.10 14 R C H 148.26 4.48 11.01 17.13 109.35 68.08 -89.47 104.40 51.88 6.91 41.21 27.01 11.65 14.80 29.81 9.99 0.21 4.20 2.32 15 S C C 76.53 4.13 10.45 16.21 110.10 73.06 -92.23 114.48 64.26 4.14 31.59 33.91 12.01 18.72 22.33 8.94 0.06 2.25 1.78 16 G C H 50.50 3.49 11.82 16.74 111.97 -101.75 -73.32 -35.96 54.53 2.99 42.47 23.88 13.58 17.82 23.93 17.79 0.12 1.52 1.37 17 A H G 79.77 3.12 11.46 16.07 109.26 26.71 -87.85 123.94 43.11 4.48 52.40 19.44 9.85 14.66 24.38 27.42 0.13 2.80 1.33 18 L H G 111.82 4.42 10.75 16.90 113.40 -135.84 -89.58 128.51 39.21 7.76 53.03 19.23 8.40 13.13 22.34 29.64 0.16 5.25 1.84 19 R C C 143.94 5.30 10.96 17.96 114.73 -150.33 -92.21 130.05 49.19 9.62 41.20 25.41 10.15 14.79 17.91 22.53 0.15 6.39 2.67 20 S C C 78.18 3.87 11.37 16.87 114.34 -151.95 -101.94 118.36 67.34 9.76 22.91 35.66 16.03 16.41 10.37 12.02 0.13 5.53 3.84 21 G C C 37.31 4.98 11.74 18.21 128.81 101.74 -132.89 175.82 87.34 4.18 8.48 50.47 33.29 3.79 6.05 2.40 0.01 1.69 2.30 22 P C H 98.17 3.19 12.51 16.74 104.26 -63.37 -70.06 94.06 49.75 1.94 48.31 21.46 9.41 19.19 24.47 23.51 0.06 1.06 0.85 23 S H G 72.18 4.21 11.19 16.87 104.49 56.53 -77.67 39.03 40.72 2.74 56.53 15.69 7.55 17.63 26.57 29.84 0.13 1.62 0.98 24 L H G 96.20 6.55 10.11 17.99 101.84 81.40 -82.86 -6.30 33.29 4.98 61.73 16.30 6.94 11.14 28.89 32.11 0.11 3.18 1.32 25 R H H 154.21 3.55 11.50 16.60 103.48 72.41 -87.08 14.92 43.85 7.50 48.65 23.69 9.32 12.28 27.07 20.50 0.21 4.57 2.37 26 K C C 134.07 3.38 10.89 15.99 112.21 89.77 -92.30 122.58 59.72 7.85 32.43 28.25 14.05 18.67 19.90 11.47 0.24 4.31 3.12 27 D C C 110.86 2.81 10.81 15.12 112.08 -131.25 -89.97 129.64 76.81 4.58 18.61 35.67 16.47 25.47 11.59 6.41 0.04 2.39 1.95 28 G C C 48.49 3.63 11.66 16.69 119.63 53.01 100.61 -155.85 81.61 3.71 14.67 35.00 24.64 22.83 8.03 5.96 0.03 1.84 1.67 29 D C C 104.87 2.89 12.56 16.61 107.29 -55.47 -86.24 108.89 73.32 5.73 20.95 38.86 19.70 15.38 13.35 7.29 0.07 3.04 2.31 30 V C C 88.99 6.69 10.03 18.01 97.81 86.67 -77.15 -22.83 53.90 9.23 36.87 28.84 13.60 12.85 25.52 10.38 0.25 5.67 2.90 31 S C C 72.55 3.96 12.20 17.65 95.59 68.25 -73.19 -18.17 48.62 9.81 41.57 28.99 9.88 10.99 28.06 12.65 0.14 6.79 2.49 32 A H H 71.05 3.54 12.48 17.20 98.31 70.92 -76.23 -18.28 44.13 10.32 45.54 24.54 9.81 11.37 28.77 15.71 0.20 7.17 2.44 33 A C C 72.25 4.18 12.12 17.70 100.35 56.61 -83.94 -0.49 48.65 12.29 39.06 27.52 9.83 12.52 24.77 13.48 0.21 8.70 2.98 34 W C C 137.40 7.78 9.51 18.40 107.97 63.83 -95.36 85.79 57.49 14.16 28.35 33.98 12.01 12.18 18.60 9.38 0.21 8.92 4.72 35 S C C 82.81 2.67 11.02 15.30 112.04 98.38 -88.26 130.16 72.61 9.74 17.66 40.17 15.28 17.71 10.97 6.42 0.07 5.77 3.61 36 G C C 58.82 1.87 10.81 13.75 111.37 13.00 91.07 9.62 81.54 4.93 13.53 32.47 21.91 28.46 4.05 8.49 0.02 2.72 1.88 37 S C T 87.93 2.25 10.03 13.73 107.20 28.47 -89.31 70.90 82.63 3.80 13.57 28.00 21.52 34.20 2.92 9.75 0.01 2.07 1.51 38 G C C 52.89 3.11 10.00 14.89 116.07 -124.43 80.26 164.05 82.32 7.03 10.65 34.40 23.66 25.36 1.87 8.45 0.01 4.15 2.10 39 R C C 166.96 2.62 10.46 14.87 116.76 -123.77 -97.15 135.54 78.38 13.63 7.98 49.70 18.16 10.73 1.96 6.26 0.01 9.43 3.75 40 S C C 79.00 3.54 9.31 14.85 115.57 -131.52 -92.33 135.80 77.65 17.98 4.37 57.01 13.35 6.96 1.23 3.42 0.01 14.05 3.99 41 L C C 124.53 2.97 9.16 14.06 113.09 -147.64 -93.60 124.29 79.00 19.35 1.64 51.29 24.71 3.55 0.54 1.24 0.00 14.34 4.32 42 V C C 106.21 2.68 8.76 13.41 118.44 -158.09 -106.49 130.43 81.08 18.43 0.49 54.03 26.90 1.17 0.16 0.35 0.00 14.67 2.71 43 P C C 104.99 2.53 9.33 13.77 114.06 -111.83 -69.05 144.31 80.49 16.73 2.78 66.94 8.68 4.02 0.73 2.19 0.00 14.51 2.93 44 S C C 86.80 2.57 7.78 12.49 118.36 -150.87 -105.06 140.12 75.47 15.00 9.54 54.02 12.74 8.34 2.38 7.65 0.01 10.87 3.99 45 R C C 173.82 1.93 8.36 12.12 119.48 -154.06 -109.94 139.19 71.36 16.25 12.38 44.62 16.80 10.70 2.99 9.40 0.03 12.38 3.07 46 S C C 87.46 2.13 9.04 13.01 116.18 -148.00 -96.59 134.36 69.16 19.58 11.25 45.67 15.10 8.93 2.99 8.07 0.02 16.81 2.40 47 V C C 102.15 3.78 8.60 14.48 119.67 -156.72 -109.85 135.81 58.44 34.35 7.21 44.79 9.82 3.67 3.59 3.63 0.05 30.58 3.87 48 I E E 114.51 3.51 9.65 15.22 117.82 -155.13 -106.99 131.20 43.92 50.67 5.42 34.79 6.51 2.47 3.63 2.22 0.05 45.59 4.74 49 V E E 99.71 3.60 9.16 14.78 120.26 -167.07 -114.38 139.45 37.93 58.37 3.70 29.48 5.91 1.85 3.05 1.51 0.05 49.21 8.94 50 T C C 71.03 4.53 8.36 14.82 123.75 -140.56 -104.77 164.52 64.59 33.53 1.88 54.69 6.50 2.01 1.07 1.01 0.01 29.31 5.39 51 R C T 201.81 0.66 10.05 10.64 92.80 -98.90 -65.36 -23.00 89.40 6.08 4.52 7.74 16.20 65.43 1.05 3.28 0.02 5.30 0.98 52 S C T 89.19 1.08 10.00 11.22 96.34 53.95 -89.80 -2.43 94.90 1.50 3.61 5.46 16.35 73.10 0.66 2.92 0.00 1.10 0.40 53 G C S 44.77 3.62 11.07 16.37 103.54 -100.99 91.21 3.16 84.68 12.78 2.54 25.82 45.00 14.15 0.32 2.41 0.00 10.15 2.15 54 A C C 61.24 4.83 11.14 17.69 116.37 126.50 -84.01 144.64 74.33 24.62 1.05 48.73 20.83 4.91 0.25 1.00 0.00 20.79 3.48 55 I E E 95.85 6.63 10.83 19.10 115.65 -135.35 -96.92 130.28 38.70 60.07 1.23 25.50 9.79 1.44 0.71 0.67 0.03 35.23 26.63 56 L C C 89.08 6.68 11.18 19.61 118.49 -139.83 -97.02 139.69 75.95 23.82 0.22 64.45 10.13 0.67 0.06 0.20 0.00 21.94 2.54 57 P C C 82.46 5.16 12.73 19.42 114.63 -105.88 -68.69 150.93 90.34 9.48 0.18 72.13 17.40 0.84 0.04 0.16 0.00 8.14 1.29 58 K C C 151.52 2.64 13.04 17.46 114.43 -101.15 -77.45 138.13 97.18 2.72 0.10 88.61 8.43 0.27 0.03 0.06 0.00 1.80 0.81 59 P C C 62.92 11.50 8.23 20.12 116.15 -107.15 -67.22 149.34 96.98 2.54 0.48 91.44 4.45 1.19 0.11 0.34 0.00 1.70 0.77 60 V C C 104.26 2.76 12.73 16.82 114.67 -121.00 -86.57 137.51 85.88 13.09 1.03 77.23 6.46 1.72 0.39 0.67 0.00 6.84 6.68 61 K C C 148.42 3.35 10.28 15.74 114.06 -129.31 -90.78 129.79 84.48 13.91 1.61 69.36 12.05 2.25 0.70 0.99 0.00 9.15 5.49 62 M C C 99.12 5.10 8.57 15.62 120.88 -167.71 -109.72 144.21 89.99 6.64 3.37 73.79 12.42 3.62 1.61 1.76 0.00 4.30 2.50 63 S C T 94.38 1.13 10.71 12.23 98.26 -115.07 -69.41 -19.41 88.39 2.70 8.91 28.75 23.66 37.03 4.28 3.78 0.01 1.54 0.94 64 F C T 146.65 2.24 9.95 13.23 100.23 54.05 -90.46 3.47 83.82 2.37 13.82 29.28 19.21 36.32 8.73 4.15 0.02 1.03 1.26 65 G C H 33.31 4.78 10.39 16.92 106.30 99.96 -23.12 -80.91 49.75 2.13 48.12 27.92 16.38 7.24 44.17 2.42 0.06 0.70 1.11 66 L H H 108.20 2.47 11.87 15.22 93.67 32.37 -65.31 -38.14 6.32 0.13 93.56 2.23 1.23 3.19 92.19 1.03 0.03 0.06 0.04 67 L H H 104.53 1.68 13.22 14.99 92.36 52.51 -64.83 -40.36 1.45 0.03 98.52 0.42 0.18 0.78 97.88 0.71 0.00 0.02 0.00 68 R H H 118.07 3.65 13.26 18.15 92.34 51.34 -65.42 -39.59 0.67 0.01 99.31 0.20 0.07 0.36 98.63 0.73 0.00 0.01 0.00 69 V H H 71.37 4.76 13.27 19.45 92.26 51.01 -64.73 -41.54 0.42 0.01 99.57 0.08 0.04 0.24 99.18 0.45 0.00 0.00 0.00 70 F H H 120.87 2.57 15.41 18.24 92.13 49.99 -65.29 -40.20 0.48 0.00 99.51 0.06 0.03 0.33 99.04 0.53 0.00 0.00 0.00 71 S H H 61.47 2.71 15.23 18.38 92.61 50.03 -65.98 -38.58 2.01 0.01 97.98 0.10 0.07 1.85 96.87 1.10 0.00 0.00 0.00 72 I H H 86.83 4.29 15.04 20.30 94.29 48.07 -70.24 -38.75 12.29 0.02 87.70 0.20 0.33 12.89 85.11 1.44 0.02 0.01 0.01 73 V H H 73.18 4.52 15.52 20.96 93.06 49.95 -66.55 -40.63 9.12 0.01 90.87 0.29 0.54 8.52 89.96 0.65 0.02 0.00 0.01 74 I H H 88.08 3.10 16.38 19.77 92.26 52.49 -64.09 -42.38 2.56 0.01 97.43 0.89 0.42 1.14 96.87 0.67 0.00 0.00 0.00 75 P H H 66.81 3.67 16.29 20.80 91.91 50.89 -63.81 -40.67 1.05 0.01 98.94 0.35 0.08 0.56 98.15 0.85 0.00 0.01 0.00 76 F H H 109.08 4.21 16.28 21.29 92.13 49.91 -65.35 -40.85 0.34 0.01 99.65 0.07 0.03 0.21 98.74 0.95 0.00 0.01 0.00 77 L H H 90.82 3.90 16.87 21.17 92.12 49.64 -65.31 -41.11 0.41 0.02 99.56 0.07 0.04 0.28 99.19 0.41 0.00 0.02 0.00 78 Y H H 127.03 2.93 17.61 20.50 92.32 48.90 -65.98 -41.42 0.82 0.07 99.11 0.14 0.09 0.58 98.92 0.20 0.01 0.05 0.01 79 V H H 74.08 3.86 17.74 22.00 92.07 49.55 -64.53 -42.35 0.41 0.01 99.58 0.09 0.04 0.23 99.57 0.06 0.00 0.00 0.00 80 G H H 30.26 5.68 16.74 23.50 91.91 50.87 -63.35 -42.09 0.39 0.00 99.61 0.08 0.02 0.23 99.61 0.05 0.00 0.00 0.00 81 T H H 64.57 4.46 17.91 22.76 91.96 50.36 -65.33 -40.91 0.33 0.00 99.67 0.04 0.02 0.21 99.67 0.05 0.00 0.00 0.00 82 L H H 84.88 3.46 18.82 22.30 92.16 50.24 -65.12 -41.48 0.46 0.00 99.53 0.06 0.03 0.33 99.50 0.08 0.00 0.00 0.00 83 I H H 80.97 4.32 18.10 22.90 91.90 49.54 -64.71 -41.96 0.79 0.01 99.20 0.14 0.07 0.55 99.08 0.15 0.00 0.00 0.00 84 S H H 49.76 5.92 16.66 23.47 91.72 51.57 -63.99 -40.98 1.88 0.01 98.11 0.38 0.18 1.27 97.87 0.28 0.00 0.01 0.01 85 K H H 115.90 3.59 17.97 21.96 92.20 50.53 -65.33 -40.36 1.68 0.01 98.31 0.27 0.16 1.22 98.10 0.24 0.00 0.00 0.00 86 N H H 87.39 3.20 18.58 21.75 92.32 49.95 -65.71 -41.01 1.13 0.01 98.86 0.19 0.12 0.79 98.62 0.27 0.00 0.00 0.00 87 F H H 104.56 3.88 17.92 22.11 92.12 50.04 -65.13 -41.41 0.85 0.00 99.15 0.13 0.07 0.60 98.91 0.29 0.00 0.00 0.00 88 A H H 43.12 5.22 15.44 22.28 91.52 51.18 -63.47 -41.13 0.60 0.00 99.40 0.07 0.03 0.43 99.16 0.31 0.00 0.00 0.00 89 A H H 52.25 3.23 16.34 20.24 91.73 51.41 -63.78 -40.79 2.23 0.00 97.76 0.13 0.10 1.95 96.98 0.83 0.00 0.00 0.00 90 L H H 86.08 2.71 15.95 18.94 92.26 50.54 -64.92 -40.39 3.97 0.01 96.02 0.28 0.24 3.44 94.72 1.30 0.01 0.00 0.01 91 L H H 74.52 4.36 12.79 18.73 92.82 50.90 -66.01 -39.61 5.20 0.12 94.68 1.32 0.74 3.36 91.69 2.75 0.03 0.06 0.04 92 E H H 105.60 3.50 12.24 17.08 93.26 52.63 -66.28 -38.84 9.24 0.27 90.49 2.39 1.00 5.98 86.14 4.20 0.05 0.16 0.08 93 E H H 135.18 1.58 12.49 14.35 92.62 52.80 -67.50 -32.05 14.90 0.20 84.90 1.84 1.38 11.84 81.45 3.20 0.09 0.10 0.10 94 H C T 126.30 2.38 11.40 14.62 96.95 41.05 -96.27 2.22 68.00 0.25 31.75 3.07 5.29 57.57 31.14 2.60 0.04 0.09 0.20 95 D C T 111.67 2.62 11.39 15.56 96.00 -121.38 57.74 36.60 94.38 0.28 5.34 11.47 8.53 74.47 4.04 1.19 0.00 0.14 0.16 96 I C S 105.88 3.76 11.01 16.22 98.73 135.97 -85.08 -20.59 95.15 2.36 2.49 27.41 46.63 21.39 1.17 1.21 0.00 1.31 0.88 97 F C C 113.08 6.07 10.30 17.85 119.08 33.10 -122.46 130.11 81.16 16.45 2.39 35.56 31.34 15.34 0.86 1.49 0.01 8.77 6.63 98 V C C 85.89 4.71 11.29 18.04 118.94 -167.24 -112.12 127.71 91.85 7.95 0.20 70.44 21.42 0.50 0.10 0.11 0.00 6.21 1.23 99 P C C 76.33 6.24 9.69 17.75 112.40 -116.63 -67.03 147.26 93.29 4.95 1.76 87.18 3.93 2.21 0.49 1.13 0.00 3.71 1.35 100 E C C 144.48 2.21 10.40 13.99 105.72 -131.99 -81.93 85.41 84.96 1.98 13.06 46.96 22.79 14.87 2.38 10.92 0.00 0.94 1.14 101 D C C 108.12 2.47 8.66 12.74 108.19 58.44 -91.08 84.39 80.37 1.80 17.83 41.95 20.14 18.30 3.36 14.30 0.00 0.80 1.15 102 D C C 102.80 3.20 7.84 12.84 107.37 128.08 -89.39 81.83 79.10 1.50 19.39 53.21 12.10 13.13 4.23 15.71 0.00 0.74 0.87 103 D C C 104.23 2.83 7.59 12.16 105.92 127.35 -89.82 64.16 81.68 1.64 16.68 51.50 13.46 16.45 4.38 12.42 0.00 0.78 1.00 104 D C C 111.94 2.10 7.16 10.87 106.21 147.85 -89.57 64.50 85.27 1.55 13.18 47.71 15.56 22.04 3.66 9.37 0.01 0.72 0.92 105 D C C 112.75 1.92 7.03 10.52 107.09 142.85 -89.06 82.37 91.84 1.01 7.15 72.39 4.78 15.09 2.38 4.22 0.00 0.58 0.56 106 D C C 114.94 1.98 9.51 12.97 104.96 -156.91 -84.59 58.47 99.83 0.07 0.10 99.26 0.31 0.31 0.04 0.02 0.00 0.03 0.02