# 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 95.31 8.75 12.99 22.60 115.01 -157.99 -90.01 133.18 99.91 0.05 0.04 99.85 0.06 0.04 0.02 0.00 0.00 0.02 0.01 1 A C C 70.96 4.70 12.31 18.49 110.67 -136.81 -82.08 126.80 80.85 1.89 17.26 75.41 1.11 5.20 14.52 1.93 0.00 0.89 0.94 2 M C C 112.91 5.85 10.94 18.22 106.51 -130.91 -83.85 74.74 68.72 2.48 28.79 46.65 11.05 10.44 25.15 4.34 0.01 1.22 1.15 3 S C C 57.56 6.67 13.33 21.21 109.16 60.03 -87.03 125.38 64.24 1.72 34.04 44.89 9.51 9.40 29.65 4.92 0.00 0.83 0.79 4 N H H 85.31 9.28 13.35 23.20 98.00 -128.01 -75.51 -18.03 44.65 0.87 54.48 24.37 10.13 11.58 48.06 5.05 0.02 0.38 0.41 5 M H H 104.04 4.40 16.67 21.71 96.72 68.83 -73.44 -27.45 38.13 0.67 61.20 21.06 7.74 10.32 56.42 3.84 0.02 0.29 0.31 6 T H H 51.90 7.30 17.49 25.97 95.70 58.92 -67.13 -41.09 23.67 0.51 75.82 14.12 4.92 5.93 72.52 2.07 0.01 0.22 0.21 7 Y H H 38.76 18.82 15.29 33.47 93.05 51.71 -65.33 -41.42 5.09 0.05 94.86 2.00 0.90 2.29 93.86 0.90 0.00 0.02 0.02 8 N H H 69.71 8.61 19.44 28.67 91.77 52.27 -64.07 -40.05 1.92 0.01 98.07 0.58 0.25 1.04 97.57 0.56 0.00 0.01 0.00 9 N H H 85.70 2.87 22.96 24.96 92.12 50.05 -65.46 -40.01 1.61 0.01 98.37 0.44 0.17 0.96 97.91 0.50 0.00 0.00 0.00 10 V H H 20.87 15.47 19.20 35.23 91.89 50.12 -63.92 -43.48 1.09 0.01 98.91 0.22 0.11 0.73 98.69 0.25 0.00 0.00 0.00 11 F H H 28.83 19.35 19.01 37.88 91.61 49.88 -63.22 -42.56 0.46 0.00 99.54 0.09 0.04 0.27 99.54 0.06 0.00 0.00 0.00 12 D H H 78.28 4.19 24.04 28.20 91.36 50.24 -63.60 -41.29 0.27 0.00 99.73 0.05 0.01 0.14 99.76 0.04 0.00 0.00 0.00 13 H H H 85.89 4.90 23.68 28.55 91.91 49.24 -65.07 -41.31 0.26 0.00 99.74 0.03 0.01 0.15 99.77 0.03 0.00 0.00 0.00 14 A H H 5.05 21.20 18.14 39.74 91.50 50.05 -63.65 -43.33 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 15 Y H H 53.62 15.96 21.09 36.53 91.27 50.02 -62.64 -42.60 0.18 0.00 99.82 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 16 E H H 106.22 2.16 25.46 25.91 91.32 50.11 -63.53 -41.71 0.24 0.00 99.76 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 17 M H H 51.52 9.55 21.09 31.59 91.71 49.91 -64.74 -41.54 0.40 0.00 99.60 0.05 0.02 0.24 99.63 0.06 0.00 0.00 0.00 18 L H H 6.71 23.51 15.86 39.45 91.74 49.73 -64.21 -42.56 0.62 0.00 99.38 0.08 0.04 0.39 99.33 0.15 0.00 0.00 0.00 19 K H H 93.68 9.74 20.52 30.47 91.55 51.24 -63.06 -41.05 1.44 0.01 98.56 0.17 0.10 1.04 98.25 0.45 0.00 0.00 0.00 20 E H H 104.89 2.14 22.96 23.35 91.88 50.00 -65.29 -40.04 5.14 0.01 94.84 0.36 0.30 4.38 93.25 1.70 0.01 0.00 0.00 21 N H H 37.62 11.52 17.45 30.05 93.75 48.53 -68.91 -38.02 16.71 0.05 83.24 1.25 1.17 14.15 81.00 2.34 0.03 0.02 0.03 22 I H H 21.47 18.40 12.93 31.06 95.22 49.54 -74.25 -33.69 36.25 1.21 62.54 10.82 6.11 21.45 55.44 4.69 0.20 0.52 0.76 23 R H H 137.66 4.38 16.82 22.24 94.79 58.74 -68.22 -34.13 48.89 1.93 49.19 18.22 7.95 24.13 40.75 6.90 0.12 0.89 1.05 24 Y C H 145.20 3.40 14.53 18.72 98.55 53.93 -80.98 -14.56 57.35 1.49 41.15 17.87 12.74 28.15 29.05 10.45 0.12 0.63 0.98 25 D C T 75.06 7.88 12.08 21.08 102.43 57.98 -88.45 7.06 68.05 0.58 31.37 12.07 14.80 41.07 17.63 13.61 0.04 0.25 0.52 26 D C T 110.41 2.88 15.86 19.58 97.59 -123.18 20.19 28.28 70.44 0.68 28.87 16.36 11.98 42.04 14.72 14.03 0.02 0.30 0.55 27 I C C 48.95 14.34 9.09 23.36 108.94 148.11 -91.54 106.68 69.96 2.50 27.54 40.81 13.44 15.80 14.37 12.81 0.01 1.09 1.68 28 R C C 161.43 2.89 15.10 19.13 103.72 162.85 -89.47 -6.79 77.50 1.82 20.68 40.88 15.46 21.36 11.19 9.14 0.01 0.79 1.18 29 D C C 89.63 4.81 13.53 19.55 106.02 65.92 -92.65 72.26 83.46 1.23 15.31 36.59 22.09 25.35 6.70 7.84 0.00 0.48 0.94 30 T C C 76.84 8.58 11.01 20.50 103.96 101.47 -87.29 7.38 80.01 0.73 19.26 28.35 25.15 27.39 9.64 8.57 0.00 0.27 0.62 31 D C S 110.94 2.31 14.79 17.71 97.87 76.42 -76.82 -18.92 80.07 0.80 19.13 25.32 30.61 25.17 10.70 7.25 0.01 0.30 0.64 32 D C C 76.25 5.62 15.55 22.20 105.36 44.83 -100.27 60.06 77.93 1.40 20.68 61.26 9.12 7.06 16.85 4.19 0.00 0.54 0.98 33 L H H 38.66 18.21 12.55 30.12 94.51 146.43 -65.71 -35.79 9.71 0.08 90.22 4.99 1.73 3.27 88.44 1.51 0.00 0.03 0.04 34 H H H 96.89 8.81 18.73 28.00 92.13 56.29 -63.41 -41.10 4.48 0.02 95.50 1.12 0.57 2.68 94.11 1.49 0.00 0.01 0.01 35 D H H 75.20 3.14 22.16 24.65 92.23 50.48 -65.54 -40.52 2.61 0.02 97.36 0.94 0.34 1.33 96.02 1.34 0.00 0.01 0.01 36 A H H 16.49 13.85 17.67 32.61 91.98 51.14 -64.54 -42.63 0.91 0.01 99.08 0.28 0.10 0.46 98.58 0.58 0.00 0.00 0.00 37 I H H 27.10 18.70 18.14 36.50 92.12 49.81 -64.09 -42.30 0.65 0.01 99.34 0.15 0.06 0.35 99.06 0.37 0.00 0.00 0.00 38 H H H 94.05 6.96 21.76 29.07 91.72 51.21 -63.95 -40.67 0.96 0.01 99.02 0.19 0.08 0.59 98.55 0.58 0.00 0.01 0.00 39 M H H 88.25 4.94 22.09 27.14 92.23 50.25 -65.78 -40.61 2.02 0.02 97.96 0.30 0.17 1.41 97.16 0.93 0.00 0.01 0.00 40 A H H 20.47 16.22 17.57 33.78 92.59 49.62 -66.91 -39.03 5.26 0.04 94.71 0.59 0.45 4.04 93.87 1.01 0.01 0.02 0.01 41 A H H 27.66 15.85 16.59 32.36 95.13 48.22 -74.55 -27.98 22.28 0.20 77.51 3.17 2.95 16.49 75.49 1.63 0.07 0.07 0.13 42 D C H 80.86 6.73 18.27 25.61 97.30 65.01 -71.12 -17.92 54.46 0.59 44.95 11.38 6.81 36.04 38.83 6.21 0.06 0.25 0.42 43 N C T 106.45 5.10 18.08 24.02 98.00 0.00 -74.31 -1.62 70.97 0.35 28.68 8.63 10.52 51.31 20.98 8.08 0.02 0.15 0.32 44 A C T 48.05 10.61 16.71 27.73 100.23 60.88 -91.47 -5.41 73.11 1.18 25.71 22.41 17.12 34.42 17.10 7.61 0.03 0.46 0.85 45 V C C 42.14 16.07 14.88 30.68 113.07 99.63 -89.80 125.57 81.02 1.47 17.52 39.17 37.24 4.29 16.26 1.72 0.01 0.44 0.88 46 P C C 54.73 11.14 17.86 29.53 105.37 -111.42 -66.97 125.42 70.64 1.57 27.78 55.76 5.99 7.68 25.59 3.52 0.00 0.82 0.64 47 H C H 95.39 8.81 18.97 27.92 99.27 54.46 -74.48 -32.59 52.34 4.01 43.65 29.66 11.38 12.92 37.47 4.84 0.10 2.08 1.54 48 Y H H 74.96 11.64 19.11 30.96 99.71 54.85 -73.80 -35.99 37.69 3.13 59.19 25.07 5.97 8.69 53.49 3.82 0.08 1.63 1.24 49 Y H H 64.33 16.98 17.28 33.30 93.72 55.30 -64.53 -41.48 4.34 0.08 95.58 1.80 0.73 1.89 94.22 1.27 0.01 0.05 0.02 50 A H H 50.80 7.13 20.40 28.14 92.39 52.19 -64.65 -40.47 1.73 0.02 98.25 0.41 0.21 1.07 97.45 0.84 0.00 0.02 0.00 51 D H H 71.03 5.78 22.09 27.99 92.53 49.34 -66.59 -40.43 1.37 0.02 98.61 0.32 0.14 0.88 97.94 0.71 0.00 0.01 0.00 52 I H H 19.79 18.26 18.13 36.43 92.08 49.74 -64.25 -43.37 0.61 0.00 99.38 0.09 0.06 0.42 99.20 0.23 0.00 0.00 0.00 53 F H H 49.68 15.20 19.17 34.23 91.95 49.69 -64.17 -41.67 0.35 0.00 99.65 0.05 0.02 0.22 99.54 0.17 0.00 0.00 0.00 54 S H H 57.10 3.69 22.53 25.88 91.69 51.55 -64.23 -41.30 0.57 0.00 99.43 0.06 0.03 0.40 99.16 0.34 0.00 0.00 0.00 55 V H H 42.75 8.71 19.67 29.63 92.00 49.19 -64.96 -42.31 0.87 0.00 99.12 0.07 0.06 0.68 98.83 0.35 0.00 0.00 0.00 56 M H H 26.73 16.93 15.48 32.61 92.58 49.05 -65.77 -40.90 2.46 0.02 97.52 0.30 0.25 1.82 97.03 0.58 0.01 0.01 0.01 57 A H H 48.02 8.88 15.99 25.93 93.00 51.40 -66.93 -37.22 9.03 0.07 90.91 1.02 0.81 7.16 88.56 2.34 0.05 0.03 0.03 58 S H H 79.60 2.33 16.84 19.35 94.20 58.09 -72.29 -22.36 21.83 0.08 78.08 1.25 1.73 18.86 75.60 2.40 0.07 0.03 0.06 59 E C T 115.34 5.30 14.94 21.23 98.94 39.27 -93.46 4.37 68.83 0.17 31.01 2.12 5.97 58.88 30.26 2.53 0.03 0.06 0.16 60 G C T 38.32 6.43 16.96 24.14 104.83 -102.94 84.27 13.78 90.24 0.39 9.38 15.33 12.14 62.75 6.95 2.39 0.00 0.16 0.27 61 I C C 45.88 16.67 12.06 28.09 99.84 81.46 -86.06 1.76 70.01 0.85 29.13 52.58 7.44 10.06 19.26 9.67 0.00 0.38 0.59 62 D H H 67.33 8.62 15.58 25.27 98.06 87.81 -70.37 -32.35 33.07 0.80 66.13 18.11 4.81 9.76 35.35 31.19 0.02 0.43 0.33 63 L H H 96.05 4.51 16.56 22.00 93.55 58.55 -66.29 -33.28 21.11 0.32 78.57 3.74 2.84 12.50 40.97 39.61 0.04 0.18 0.13 64 E H H 88.01 8.25 15.51 24.74 92.86 56.99 -68.43 -31.97 21.35 0.45 78.20 4.50 2.90 12.16 41.32 38.63 0.05 0.26 0.18 65 F H H 57.48 14.99 12.01 26.84 96.07 52.75 -78.91 -20.31 35.70 2.69 61.60 16.38 7.93 12.17 37.73 23.05 0.17 1.35 1.22 66 E C H 119.53 4.87 15.95 22.02 95.81 63.77 -71.64 -24.96 53.99 3.00 43.01 23.11 13.77 19.13 30.61 10.25 0.14 1.40 1.59 67 D C C 91.95 4.53 14.70 20.26 102.03 59.46 -89.77 42.71 68.90 2.40 28.70 29.98 18.22 21.75 18.42 9.03 0.05 1.00 1.55 68 S C C 53.22 10.62 11.78 22.98 99.40 122.01 -82.44 -2.06 81.39 1.94 16.68 33.80 14.99 33.38 7.18 8.48 0.01 0.82 1.33 69 G C T 45.84 5.39 15.03 21.61 100.71 -140.55 46.89 -9.22 88.82 1.75 9.43 28.67 22.32 38.30 2.35 6.56 0.00 0.78 1.02 70 L C S 90.94 7.61 14.01 22.55 98.51 71.42 -83.63 -20.82 89.30 3.31 7.38 31.02 37.25 21.27 1.57 5.32 0.00 1.38 2.18 71 M C C 64.05 10.88 10.48 22.40 116.87 42.17 -110.60 117.92 95.48 3.22 1.30 48.11 44.23 2.93 0.41 0.81 0.00 1.08 2.42 72 P C T 89.20 4.67 13.14 19.40 99.39 -129.13 -64.40 -23.37 96.73 0.82 2.46 12.77 10.60 73.09 0.36 2.31 0.00 0.47 0.40 73 D C T 125.39 1.12 14.95 15.53 98.14 36.34 -87.19 10.41 97.70 0.39 1.91 9.07 11.16 77.17 0.23 1.96 0.00 0.23 0.18 74 T C C 41.81 12.67 8.58 21.66 114.91 111.80 -98.80 130.39 96.61 1.80 1.59 81.66 11.72 2.85 0.50 1.09 0.00 0.70 1.47 75 K C C 156.64 2.05 16.31 18.93 98.73 -168.89 -89.34 -10.71 97.79 0.96 1.26 58.14 37.68 2.03 0.74 0.39 0.00 0.29 0.73 76 D C C 68.24 6.15 17.07 24.38 112.15 89.04 -90.19 122.88 92.40 4.27 3.34 60.79 30.26 0.87 3.18 0.35 0.00 0.82 3.72 77 V H H 40.63 16.49 15.24 31.78 93.33 -154.08 -63.54 -35.99 1.90 0.00 98.09 0.49 0.29 0.93 97.99 0.29 0.00 0.00 0.00 78 I H H 59.84 12.81 18.91 31.79 91.52 55.00 -62.73 -41.70 0.52 0.00 99.48 0.10 0.04 0.28 99.36 0.21 0.00 0.00 0.00 79 R H H 106.26 7.12 22.33 29.67 91.86 49.83 -65.65 -40.52 0.13 0.00 99.87 0.03 0.01 0.06 99.75 0.14 0.00 0.00 0.00 80 I H H 30.76 13.71 20.47 34.78 92.01 50.70 -63.65 -43.30 0.07 0.00 99.93 0.01 0.00 0.03 99.91 0.04 0.00 0.00 0.00 81 L H H 21.85 17.36 21.60 38.84 91.55 49.22 -63.90 -42.67 0.11 0.00 99.89 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 82 Q H H 55.69 12.69 23.38 35.84 91.46 50.64 -63.74 -41.69 0.16 0.00 99.84 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 83 A H H 24.29 10.65 22.39 34.06 91.60 51.78 -63.46 -42.05 0.20 0.00 99.80 0.02 0.01 0.14 99.81 0.02 0.00 0.00 0.00 84 R H H 83.47 10.14 24.71 34.94 91.96 50.76 -64.85 -41.51 0.21 0.00 99.79 0.02 0.01 0.15 99.81 0.02 0.00 0.00 0.00 85 I H H 21.44 17.67 21.96 39.49 91.56 49.53 -63.97 -43.41 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.01 0.00 0.00 0.00 86 Y H H 56.24 15.51 22.25 37.16 91.46 50.36 -63.20 -42.40 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 87 E H H 83.80 6.79 23.90 30.97 91.48 50.20 -63.93 -41.83 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 88 Q H H 66.44 8.34 23.10 31.81 91.97 49.58 -65.08 -42.01 0.21 0.00 99.79 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 89 L H H 18.46 18.26 19.39 37.75 92.00 49.52 -64.34 -42.75 0.52 0.00 99.48 0.06 0.03 0.35 99.49 0.07 0.00 0.00 0.00 90 T H H 39.51 12.99 20.58 33.66 91.93 50.27 -63.78 -42.22 1.29 0.00 98.71 0.25 0.11 0.80 98.64 0.20 0.00 0.00 0.00 91 I H H 83.32 3.46 22.96 25.82 91.69 49.58 -64.49 -42.21 1.64 0.00 98.35 0.34 0.16 1.00 98.09 0.40 0.00 0.00 0.00 92 D H H 55.36 7.39 21.58 29.57 92.00 49.39 -65.20 -41.18 2.42 0.01 97.58 0.56 0.21 1.43 97.20 0.59 0.00 0.00 0.00 93 L H H 19.46 18.03 17.53 35.74 91.96 49.70 -64.44 -42.67 2.71 0.01 97.28 0.58 0.25 1.68 96.53 0.95 0.00 0.00 0.00 94 W H H 99.06 10.49 19.83 30.65 91.69 50.53 -63.16 -41.70 3.05 0.01 96.93 0.68 0.33 1.92 95.67 1.40 0.00 0.00 0.01 95 E H H 109.53 2.16 23.01 23.64 91.96 49.81 -64.61 -41.29 7.23 0.02 92.75 1.06 0.61 5.23 92.00 1.08 0.00 0.00 0.01 96 D H H 55.60 7.89 20.32 28.93 92.48 48.57 -66.49 -39.89 13.65 0.04 86.31 2.77 1.25 9.18 85.63 1.14 0.00 0.01 0.02 97 A H H 14.39 17.24 15.70 33.38 91.87 52.00 -63.95 -41.83 4.41 0.02 95.57 1.80 0.57 1.89 94.91 0.81 0.00 0.01 0.01 98 E H H 95.56 5.46 20.48 26.38 91.46 51.80 -63.42 -41.17 2.17 0.01 97.82 0.77 0.24 1.01 97.38 0.60 0.00 0.01 0.00 99 D H H 83.62 2.14 22.22 22.80 92.09 49.90 -65.17 -40.75 1.95 0.02 98.03 0.71 0.20 0.94 97.53 0.60 0.00 0.01 0.00 100 L H H 40.46 10.53 18.05 29.89 91.97 50.26 -64.53 -42.40 1.07 0.01 98.92 0.39 0.11 0.49 98.68 0.32 0.00 0.00 0.00 101 L H H 41.92 13.03 17.02 30.76 91.52 50.11 -63.51 -42.15 0.69 0.00 99.31 0.18 0.06 0.35 99.24 0.17 0.00 0.00 0.00 102 N H H 87.51 2.74 20.38 22.57 91.60 50.35 -63.92 -41.71 0.76 0.00 99.24 0.16 0.06 0.43 99.16 0.18 0.00 0.00 0.00 103 E H H 94.97 2.81 20.05 22.31 91.76 49.92 -64.47 -41.72 0.72 0.00 99.28 0.11 0.06 0.44 99.20 0.19 0.00 0.00 0.00 104 Y H H 63.76 10.37 16.43 27.99 92.01 49.45 -64.51 -42.07 0.85 0.00 99.15 0.14 0.06 0.52 99.07 0.21 0.00 0.00 0.00 105 L H H 62.87 7.27 16.35 25.04 91.94 49.99 -63.94 -41.71 0.88 0.00 99.11 0.18 0.08 0.51 99.01 0.22 0.00 0.00 0.00 106 E H H 109.01 1.66 18.79 19.08 91.66 50.16 -63.99 -41.10 1.25 0.00 98.75 0.23 0.11 0.75 98.61 0.30 0.00 0.00 0.00 107 E H H 94.22 3.21 17.21 20.71 92.21 49.31 -65.37 -40.62 2.40 0.01 97.59 0.46 0.22 1.48 97.43 0.41 0.00 0.00 0.00 108 V H H 49.13 7.78 13.68 23.16 92.37 50.24 -65.15 -40.66 3.22 0.01 96.77 0.91 0.39 1.70 96.39 0.60 0.00 0.01 0.00 109 E H H 100.93 2.55 15.51 18.37 91.95 51.48 -64.31 -40.45 5.10 0.03 94.87 1.93 0.67 2.41 93.86 1.11 0.00 0.01 0.01 110 E H H 112.64 1.40 15.35 15.87 92.41 50.34 -65.50 -40.00 8.59 0.06 91.35 3.17 1.10 4.26 89.89 1.53 0.00 0.03 0.02 111 Y H H 114.92 3.31 12.66 17.18 93.10 50.60 -67.10 -38.82 12.45 0.09 87.46 5.26 1.80 5.52 85.37 1.97 0.01 0.04 0.04 112 E H H 100.83 3.35 11.16 15.99 92.82 52.98 -66.01 -38.68 14.85 0.14 85.01 7.57 2.18 5.48 81.71 2.93 0.01 0.07 0.06 113 E H H 131.83 1.35 10.99 12.66 93.28 52.79 -68.71 -34.19 21.91 0.20 77.89 8.76 2.98 10.44 74.06 3.56 0.01 0.09 0.10 114 D H H 112.67 1.21 9.55 11.32 95.86 54.58 -75.80 -21.81 37.41 0.35 62.24 15.17 4.34 18.26 58.69 3.18 0.01 0.14 0.20 115 E C C 137.98 1.95 8.04 11.38 99.67 63.04 -82.03 -9.28 65.15 0.37 34.48 43.81 1.60 18.38 34.08 1.76 0.00 0.15 0.23 116 E C C 141.66 2.12 10.54 14.00 104.40 104.52 -80.62 66.46 99.93 0.02 0.06 99.78 0.07 0.10 0.04 0.00 0.00 0.01 0.00