# 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 76.42 12.95 16.74 29.47 120.78 -166.50 -102.39 140.01 99.45 0.48 0.07 99.27 0.23 0.10 0.04 0.01 0.00 0.29 0.07 1 S C C 53.42 9.48 16.52 26.50 118.96 -154.97 -101.80 142.52 75.99 16.66 7.35 71.89 1.69 2.80 5.61 1.63 0.00 10.83 5.55 2 Y C C 96.29 12.41 14.90 27.36 106.96 -156.68 -86.81 10.83 53.56 21.65 24.78 34.77 10.27 8.55 18.43 6.91 0.15 16.86 4.06 3 S C C 47.87 10.84 15.98 27.29 102.52 68.63 -75.16 -24.56 44.60 21.75 33.65 27.59 8.94 8.61 23.06 10.54 0.14 18.53 2.58 4 A H H 48.60 9.59 16.94 27.14 101.76 62.52 -75.94 -21.31 37.90 21.53 40.57 22.20 7.90 8.83 26.54 13.42 0.19 18.61 2.31 5 Y H H 92.90 11.30 16.27 27.91 103.98 62.80 -84.03 -4.52 35.00 24.13 40.87 19.77 7.44 9.07 27.44 12.75 0.31 20.44 2.79 6 F C H 80.15 12.61 14.31 27.09 105.11 73.10 -88.71 22.48 39.00 26.05 34.95 23.51 7.66 8.65 25.31 9.48 0.35 21.37 3.67 7 A C C 61.45 7.71 14.68 23.28 108.70 92.95 -89.41 94.77 51.38 20.57 28.06 30.22 11.59 10.03 21.85 6.48 0.34 16.00 3.49 8 K C C 120.91 5.73 13.66 20.81 111.19 -162.74 -91.85 121.20 67.45 14.29 18.26 36.70 21.55 9.82 13.87 4.72 0.15 9.56 3.63 9 A C T 71.67 5.73 12.90 19.94 106.90 -105.65 -75.25 109.73 77.39 5.61 17.00 21.54 14.84 41.52 9.17 7.39 0.05 3.79 1.71 10 G C T 52.41 4.22 14.63 19.93 102.80 15.26 35.94 14.60 82.78 4.69 12.54 25.95 14.93 42.73 5.27 6.65 0.01 3.27 1.17 11 F C C 80.80 13.12 11.23 24.47 112.96 127.06 -93.79 127.46 74.96 13.70 11.34 54.29 11.76 8.46 4.93 6.66 0.01 9.65 4.24 12 Q C C 123.95 4.06 18.50 23.54 112.87 -156.02 -97.85 123.15 77.17 15.47 7.36 57.52 12.18 6.44 4.15 3.59 0.01 10.60 5.51 13 F C C 58.52 18.72 11.35 28.92 120.40 -160.10 -93.23 140.05 92.49 5.11 2.40 70.09 21.21 1.43 1.87 0.62 0.00 2.96 1.82 14 P C C 54.14 8.54 16.82 26.60 114.11 -103.33 -66.28 150.03 92.67 1.27 6.06 86.39 3.29 2.92 5.20 0.98 0.00 0.70 0.50 15 A C H 76.05 5.68 17.30 23.82 103.45 -102.11 -64.17 120.71 49.87 0.48 49.65 7.67 7.89 33.87 45.02 4.92 0.11 0.22 0.31 16 G H H 34.96 9.21 18.87 28.02 98.11 36.65 54.99 -20.97 43.32 0.56 56.12 6.64 6.45 30.41 50.94 4.80 0.16 0.27 0.33 17 L H H 35.48 18.02 17.70 34.76 95.46 65.02 -70.69 -33.35 14.19 0.52 85.29 7.06 2.65 5.82 79.91 4.03 0.03 0.32 0.18 18 S H H 34.04 14.41 20.27 34.29 92.83 63.26 -62.57 -40.33 4.74 0.28 94.99 2.33 0.73 1.98 93.19 1.48 0.01 0.22 0.05 19 A H H 42.55 10.78 23.60 34.04 93.09 52.85 -65.33 -40.39 2.26 0.43 97.31 0.97 0.32 1.11 96.03 1.08 0.01 0.43 0.04 20 L H H 38.36 16.97 23.75 39.54 92.66 51.28 -65.36 -42.02 1.74 0.55 97.71 0.74 0.22 0.88 96.75 0.80 0.01 0.55 0.04 21 V H H 22.59 20.04 24.32 43.34 92.13 50.21 -64.15 -42.57 1.49 0.45 98.06 0.63 0.20 0.74 97.52 0.47 0.00 0.39 0.04 22 A H H 29.69 13.82 25.50 38.99 91.90 51.09 -63.62 -42.28 0.65 0.07 99.28 0.22 0.06 0.33 99.22 0.12 0.00 0.05 0.00 23 G H H 16.40 13.25 25.05 38.47 91.92 51.18 -64.14 -42.50 0.48 0.03 99.48 0.10 0.04 0.30 99.44 0.09 0.00 0.02 0.00 24 I H H 24.36 18.70 24.90 42.76 91.95 49.77 -64.26 -43.07 0.18 0.04 99.77 0.04 0.02 0.12 99.71 0.07 0.00 0.04 0.00 25 V H H 27.83 17.25 24.13 40.85 91.88 49.90 -63.81 -43.29 0.12 0.03 99.84 0.02 0.01 0.09 99.79 0.06 0.00 0.03 0.00 26 A H H 32.68 11.66 24.58 36.27 91.42 50.30 -63.75 -42.72 0.26 0.03 99.72 0.03 0.02 0.20 99.64 0.08 0.00 0.02 0.00 27 L H H 39.57 12.11 22.79 35.42 91.72 49.44 -64.25 -42.29 0.50 0.03 99.46 0.06 0.04 0.42 99.33 0.12 0.00 0.02 0.00 28 N H H 22.98 13.96 18.30 33.29 91.91 49.54 -64.95 -40.97 1.31 0.04 98.64 0.16 0.12 1.05 98.37 0.26 0.01 0.03 0.01 29 V H H 53.54 11.22 17.91 29.36 92.56 50.05 -66.36 -40.53 3.03 0.05 96.92 0.26 0.23 2.61 96.20 0.63 0.02 0.03 0.01 30 C H H 68.89 8.14 17.64 26.31 93.17 49.11 -70.06 -33.39 8.37 0.07 91.56 0.42 0.55 7.43 90.79 0.71 0.04 0.03 0.03 31 T H H 75.83 5.11 16.65 22.52 95.98 40.76 -93.46 -6.23 39.39 0.31 60.29 2.03 4.24 32.49 59.62 1.18 0.11 0.10 0.23 32 G C T 46.88 6.44 13.95 21.75 95.09 -115.65 77.55 11.94 98.70 0.40 0.90 19.60 16.42 62.87 0.41 0.34 0.00 0.22 0.14 33 R C C 135.11 3.69 17.44 22.44 122.15 117.68 -111.40 138.57 98.58 1.35 0.07 76.93 21.59 0.18 0.03 0.03 0.00 0.51 0.72 34 P C C 58.34 13.13 11.80 25.20 114.75 -105.49 -66.47 148.90 98.23 1.58 0.19 95.99 2.00 0.23 0.08 0.07 0.00 0.62 1.02 35 T C C 53.12 9.98 12.72 23.96 115.17 -107.53 -70.17 153.18 97.28 1.67 1.05 90.98 4.12 1.85 0.33 0.62 0.00 0.62 1.47 36 K C T 169.32 1.26 14.29 15.91 108.60 -87.63 -63.96 134.56 94.25 1.23 4.53 5.03 12.21 76.78 0.90 3.64 0.00 0.70 0.73 37 G C T 59.56 1.66 14.55 16.36 96.79 18.62 86.86 -2.39 95.25 0.98 3.77 6.77 10.42 77.90 0.62 3.30 0.00 0.66 0.33 38 T C C 46.87 14.04 8.86 22.67 119.21 114.98 -88.47 142.44 88.11 7.89 4.00 74.26 9.44 3.84 1.29 2.98 0.00 4.82 3.37 39 K C C 123.47 4.63 16.32 22.35 122.04 -156.61 -111.05 143.04 76.62 18.46 4.91 60.10 10.84 5.06 2.13 2.98 0.01 14.34 4.53 40 E C C 118.43 7.01 15.85 24.37 114.60 -115.30 -82.22 132.59 65.69 29.09 5.22 52.78 7.98 3.78 2.68 2.87 0.04 24.08 5.80 41 I C C 38.52 17.11 10.54 27.33 120.15 -154.99 -106.93 137.43 74.12 22.80 3.08 64.63 6.74 1.73 2.05 1.26 0.01 19.38 4.20 42 S C C 54.21 3.53 18.77 22.16 123.17 -130.59 -86.55 164.33 85.66 11.64 2.71 75.85 7.65 1.83 1.99 0.87 0.00 9.13 2.67 43 N H H 103.09 6.77 13.08 21.39 91.71 -101.89 -60.36 -33.30 38.57 1.90 59.53 7.83 8.37 21.45 36.09 23.98 0.27 1.34 0.68 44 A H H 73.52 2.78 15.95 19.22 91.87 59.11 -66.40 -32.11 37.48 2.08 60.44 6.24 5.95 23.00 35.39 26.95 0.28 1.56 0.63 45 E H H 67.91 11.61 14.41 26.58 94.49 52.16 -75.40 -30.46 33.00 4.91 62.09 10.03 6.60 15.95 35.26 26.96 0.35 3.75 1.10 46 Y H H 64.11 16.25 13.48 29.08 99.20 57.94 -80.63 -20.43 40.89 11.54 47.57 20.75 9.19 13.79 32.77 11.93 0.47 7.94 3.16 47 N C C 91.52 6.06 19.42 25.92 99.45 60.79 -88.36 -5.29 57.70 14.95 27.35 30.79 11.67 16.30 21.09 5.93 0.28 9.57 4.37 48 A C C 46.27 10.79 15.86 27.15 107.67 92.55 -84.47 97.81 71.11 13.45 15.45 43.72 19.79 7.86 12.84 3.28 0.09 8.13 4.29 49 T C C 49.85 11.54 17.12 29.16 117.97 -133.15 -96.41 140.47 82.07 7.98 9.95 54.19 24.14 3.65 9.38 1.61 0.01 4.49 2.53 50 P C C 46.69 12.69 16.25 29.42 104.10 -104.59 -65.23 135.28 61.00 6.32 32.67 45.19 8.25 7.38 29.80 3.59 0.02 3.55 2.22 51 I H H 87.11 7.85 17.40 25.87 94.07 21.22 -63.24 -36.98 16.79 1.00 82.21 6.53 3.19 7.93 65.34 15.91 0.12 0.67 0.30 52 G H H 30.58 5.92 17.80 24.99 92.11 55.06 -64.52 -38.02 10.59 0.74 88.68 3.05 1.64 5.78 69.22 19.48 0.08 0.60 0.15 53 Y H H 62.52 13.35 14.74 28.47 93.04 51.79 -68.29 -36.73 8.68 0.54 90.78 2.35 1.28 4.82 70.47 20.48 0.05 0.45 0.10 54 L H H 65.47 12.09 14.88 27.27 93.93 52.18 -71.82 -28.63 18.23 1.00 80.78 4.37 3.05 11.44 67.30 12.54 0.26 0.69 0.34 55 Q H H 114.69 3.73 16.63 20.82 97.20 50.21 -83.55 -19.89 42.07 2.52 55.41 8.50 13.44 23.87 45.86 5.00 0.74 1.02 1.58 56 S C C 48.60 6.22 13.27 21.28 112.19 46.41 -118.51 95.02 98.79 0.73 0.47 76.96 21.11 0.72 0.26 0.16 0.00 0.25 0.53 57 P H G 73.22 10.06 10.44 21.59 94.53 -169.00 -63.36 -24.89 40.51 0.49 58.99 8.38 3.94 25.02 2.16 60.08 0.00 0.30 0.12 58 D H G 115.51 1.87 15.11 17.43 94.73 65.62 -73.14 -16.20 39.66 0.31 60.03 2.48 3.55 30.48 2.03 61.19 0.00 0.18 0.09 59 Q H G 99.71 6.16 13.79 21.11 100.19 54.78 -93.30 3.77 34.98 0.88 64.14 6.61 6.75 20.98 2.73 62.15 0.00 0.53 0.25 60 H C C 60.52 13.39 10.57 24.25 110.26 95.84 -100.11 105.50 93.69 1.82 4.49 64.00 27.71 1.87 2.48 1.75 0.00 0.58 1.61 61 P C T 77.21 7.23 14.20 22.77 102.15 -153.90 -68.34 -0.61 69.30 1.32 29.38 24.93 7.87 36.47 5.68 23.68 0.01 0.70 0.67 62 T C T 96.48 3.60 15.63 20.05 104.30 63.43 -86.57 0.09 66.68 2.98 30.34 15.41 11.02 41.01 6.15 23.34 0.05 1.62 1.40 63 A C C 55.87 9.32 14.31 24.29 100.44 51.57 -79.12 -12.75 63.38 5.13 31.49 23.94 20.96 20.56 5.59 23.82 0.07 2.68 2.37 64 F C S 70.20 13.55 11.98 25.68 117.18 40.73 -114.05 123.48 84.29 6.79 8.91 33.77 41.91 8.97 2.48 5.68 0.02 3.08 4.08 65 P C C 70.91 6.93 16.07 24.15 112.51 -131.53 -70.27 148.28 88.76 4.26 6.99 50.46 17.48 20.70 1.28 5.99 0.00 2.39 1.69 66 K C C 128.43 6.19 14.90 22.41 110.93 -111.52 -84.60 123.22 84.69 9.56 5.76 47.63 22.13 14.60 1.31 4.60 0.01 4.23 5.48 67 V C C 50.21 12.25 10.43 23.46 117.94 -140.51 -101.32 132.85 93.09 5.91 1.00 62.05 28.92 1.88 0.35 0.60 0.00 2.16 4.03 68 P C T 91.08 4.13 13.86 19.34 110.34 -103.12 -61.74 139.88 95.32 1.27 3.41 9.15 7.98 78.11 0.53 2.90 0.00 0.74 0.60 69 G C T 60.59 1.56 14.44 16.11 97.02 16.60 79.05 0.41 96.24 0.66 3.10 7.66 8.22 80.22 0.46 2.75 0.00 0.41 0.27 70 M C C 67.74 11.82 7.70 19.68 108.84 125.23 -88.55 111.70 87.88 5.17 6.95 69.15 12.69 4.91 1.91 5.46 0.00 2.33 3.54 71 K C C 158.18 1.81 14.34 16.66 99.38 150.29 -85.18 -16.04 83.50 4.59 11.91 38.23 15.73 30.45 3.05 8.10 0.01 2.45 1.97 72 D C C 96.74 4.12 14.45 19.68 103.26 59.23 -93.11 15.38 80.61 7.05 12.34 33.05 17.28 31.85 3.03 8.33 0.02 4.23 2.19 73 V C C 57.59 12.89 10.27 23.34 112.79 115.53 -92.51 117.26 80.54 11.71 7.75 59.73 12.14 8.23 2.76 5.10 0.01 8.01 4.01 74 H C C 115.17 5.60 14.79 21.74 114.75 -168.39 -100.52 127.36 82.48 13.11 4.41 63.86 9.73 8.30 1.78 2.66 0.00 9.11 4.56 75 G C C 37.59 8.73 12.87 22.47 119.40 -137.42 -114.14 166.28 87.15 10.73 2.12 58.23 21.68 7.27 0.66 1.55 0.00 7.12 3.48 76 S C C 67.20 5.00 13.87 20.32 120.60 -104.02 -101.27 141.51 89.20 9.37 1.43 64.01 22.56 2.83 0.52 0.96 0.00 6.00 3.11 77 P C C 80.92 7.22 11.11 19.84 112.37 -106.19 -69.02 145.24 86.01 7.89 6.10 60.84 13.68 11.08 1.42 5.07 0.00 5.42 2.48 78 H C C 124.76 4.98 10.05 16.73 110.82 -129.63 -88.25 121.55 81.26 8.76 9.98 50.51 14.98 15.69 2.16 8.14 0.00 5.71 2.81 79 H C C 139.18 3.04 9.59 14.33 109.90 -148.79 -91.79 108.33 78.65 9.77 11.58 46.35 16.30 16.35 2.28 9.46 0.01 6.63 2.62 80 H C C 135.86 3.40 8.17 13.41 110.41 136.07 -93.07 107.46 84.96 7.65 7.40 73.04 3.25 9.28 2.04 4.54 0.00 5.38 2.48 81 H C C 134.58 3.94 10.21 15.88 110.37 -163.43 -93.88 109.79 99.56 0.35 0.09 99.20 0.29 0.19 0.03 0.02 0.00 0.20 0.06