# 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 L C C 54.23 14.77 12.20 26.89 117.12 -149.70 -87.05 136.93 99.93 0.05 0.01 99.86 0.08 0.03 0.00 0.00 0.00 0.02 0.01 1 T C C 68.83 4.37 15.45 20.74 121.22 -148.93 -95.02 155.57 91.16 1.66 7.18 88.83 0.95 2.18 5.51 0.94 0.00 0.61 0.98 2 T C H 79.63 7.99 10.84 19.92 95.24 -119.20 -65.07 -30.59 51.46 1.54 47.01 32.08 10.88 9.96 35.21 10.38 0.02 0.71 0.74 3 E H H 127.73 2.28 13.67 16.65 94.04 61.38 -68.28 -35.04 40.34 1.22 58.44 19.86 8.81 12.40 41.11 16.62 0.04 0.64 0.51 4 D H H 81.26 4.98 13.49 19.78 94.62 53.39 -73.20 -25.39 38.37 1.42 60.21 21.19 6.94 10.75 42.59 17.17 0.03 0.79 0.55 5 F H H 68.39 13.24 10.45 23.68 96.61 56.50 -81.66 -16.82 43.88 1.60 54.52 26.50 8.38 10.83 41.27 11.46 0.03 0.80 0.73 6 A C C 63.89 5.86 12.97 20.25 96.06 70.53 -72.58 -23.32 64.87 1.44 33.69 35.97 16.77 13.12 27.62 5.12 0.02 0.55 0.82 7 N C C 112.11 2.34 15.01 17.70 104.39 47.95 -100.11 67.76 93.44 0.76 5.80 56.56 31.63 5.18 4.33 1.47 0.00 0.26 0.56 8 P C C 64.51 11.41 9.06 20.78 112.55 142.64 -73.58 146.36 94.97 0.75 4.28 74.07 14.55 6.41 2.33 1.78 0.00 0.32 0.54 9 S C C 73.85 3.78 13.01 18.35 113.38 -106.38 -85.55 137.04 97.20 0.95 1.85 68.94 24.92 3.37 0.86 0.87 0.00 0.39 0.65 10 P C C 91.81 4.94 12.39 18.92 111.20 -104.12 -68.83 144.32 96.12 1.08 2.80 81.36 10.27 4.61 1.03 1.57 0.00 0.52 0.63 11 K C C 119.46 7.19 10.86 19.30 112.16 -122.69 -86.82 130.11 93.25 3.13 3.61 71.56 16.25 5.04 1.51 1.94 0.00 1.27 2.42 12 N C C 88.42 5.88 12.28 19.54 111.03 -149.85 -99.02 110.84 93.34 3.84 2.82 71.68 16.53 4.82 1.09 1.71 0.00 1.81 2.37 13 W C C 136.71 8.01 10.97 20.17 101.93 -148.28 -80.37 4.63 84.13 5.89 9.98 46.72 21.06 16.71 2.88 6.71 0.01 2.80 3.11 14 Q C C 100.03 6.54 12.10 19.92 111.14 86.89 -91.87 119.77 76.20 11.30 12.50 37.86 22.52 17.09 3.00 8.60 0.05 4.82 6.06 15 S C C 70.99 5.38 12.14 18.93 100.26 -147.54 -84.23 2.24 75.15 7.38 17.47 28.02 22.07 26.02 2.72 13.86 0.05 3.60 3.65 16 Y C T 138.11 5.63 13.48 20.18 100.49 33.96 -95.63 27.08 83.35 3.13 13.52 10.75 19.20 52.79 1.75 11.94 0.02 1.69 1.85 17 G C T 39.19 6.25 15.03 22.40 103.40 -83.69 91.83 1.81 89.38 3.58 7.04 19.43 25.97 43.95 0.85 6.34 0.00 2.02 1.43 18 F C C 73.87 11.59 10.63 23.02 121.12 113.60 -100.62 143.30 80.31 16.96 2.73 54.21 20.14 5.17 0.85 2.01 0.01 7.06 10.56 19 D C C 60.40 6.69 14.08 22.57 117.30 -151.67 -107.35 129.47 84.52 14.33 1.15 71.49 9.70 2.28 0.49 0.71 0.00 7.19 8.14 20 Y C T 148.18 6.09 11.85 19.61 94.23 -147.80 -68.18 -21.12 93.72 0.96 5.32 5.09 31.09 58.41 1.29 3.08 0.00 0.54 0.49 21 K C T 164.62 0.75 14.33 13.74 96.22 54.52 -79.67 -28.90 94.29 0.58 5.12 2.90 37.56 55.21 1.16 2.50 0.00 0.27 0.39 22 D C C 69.95 4.70 12.00 18.43 111.46 29.35 -126.04 85.03 89.98 5.26 4.76 59.93 20.28 9.55 2.34 2.33 0.00 2.63 2.94 23 Q H H 85.60 9.41 11.09 21.86 94.29 169.63 -63.47 -35.74 8.15 0.33 91.52 4.56 1.66 2.70 90.03 0.79 0.01 0.17 0.09 24 V H H 91.48 2.71 16.55 19.42 91.98 53.73 -65.06 -41.42 1.88 0.05 98.07 0.43 0.23 1.18 97.69 0.43 0.00 0.02 0.01 25 E H H 93.51 3.01 17.55 20.78 91.86 48.64 -64.97 -40.97 0.58 0.01 99.41 0.13 0.05 0.32 99.18 0.31 0.00 0.01 0.00 26 D H H 29.40 10.28 13.51 25.78 92.18 50.85 -64.19 -41.39 0.34 0.00 99.66 0.09 0.03 0.17 99.55 0.17 0.00 0.00 0.00 27 R H H 103.12 7.03 17.81 25.67 92.17 50.14 -64.40 -42.14 0.20 0.00 99.80 0.03 0.01 0.13 99.77 0.06 0.00 0.00 0.00 28 K H H 109.61 3.81 19.03 23.00 92.06 49.44 -65.03 -41.39 0.23 0.00 99.77 0.03 0.01 0.15 99.76 0.05 0.00 0.00 0.00 29 A H H 50.25 5.04 18.66 24.50 92.08 48.96 -65.09 -41.11 0.34 0.00 99.66 0.03 0.02 0.23 99.66 0.06 0.00 0.00 0.00 30 T H H 50.45 7.60 17.72 26.43 92.43 49.56 -65.36 -41.48 0.41 0.00 99.59 0.04 0.02 0.28 99.60 0.05 0.00 0.00 0.00 31 K H H 87.28 7.40 18.31 26.45 92.29 50.11 -64.49 -41.24 0.49 0.00 99.51 0.03 0.02 0.36 99.51 0.07 0.00 0.00 0.00 32 S H H 49.71 5.86 18.48 25.08 92.18 50.14 -64.99 -41.38 0.62 0.00 99.38 0.03 0.03 0.48 99.40 0.06 0.00 0.00 0.00 33 T H H 66.07 4.23 19.59 24.03 92.26 49.33 -65.20 -41.89 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 34 F H H 88.99 6.55 18.57 25.69 92.31 49.13 -65.25 -41.72 0.15 0.00 99.85 0.01 0.00 0.10 99.84 0.04 0.00 0.00 0.00 35 F H H 79.11 9.25 17.64 27.53 92.18 49.27 -65.05 -42.00 0.10 0.00 99.90 0.01 0.00 0.08 99.89 0.03 0.00 0.00 0.00 36 V H H 73.64 5.42 19.07 24.88 91.89 48.99 -65.24 -41.79 0.11 0.00 99.89 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 37 T H H 68.79 3.47 20.05 23.27 92.05 49.60 -65.41 -41.70 0.13 0.00 99.87 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 38 V H H 57.36 7.79 18.49 26.99 92.01 48.81 -65.08 -42.48 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 39 T H H 39.68 11.08 16.90 28.81 92.02 49.24 -64.96 -41.87 0.11 0.00 99.89 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 40 L H H 87.27 3.90 20.11 24.16 91.88 49.30 -64.85 -41.54 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.04 0.00 0.00 0.00 41 C H H 64.42 3.86 19.46 23.26 91.88 49.17 -65.22 -41.70 0.15 0.00 99.85 0.01 0.01 0.11 99.80 0.07 0.00 0.00 0.00 42 L H H 62.36 9.56 17.23 27.46 92.40 48.80 -65.66 -41.23 0.41 0.00 99.59 0.02 0.01 0.38 99.46 0.13 0.00 0.00 0.00 43 V H H 61.55 7.95 17.52 26.07 92.62 47.92 -65.51 -42.16 1.30 0.02 98.68 0.05 0.06 1.25 98.42 0.20 0.01 0.01 0.00 44 W H H 143.22 2.54 19.85 21.81 92.12 48.09 -65.45 -41.43 2.08 0.02 97.90 0.14 0.14 1.72 97.57 0.41 0.01 0.01 0.01 45 G H H 28.12 5.53 16.96 23.56 92.12 51.04 -64.43 -41.57 3.84 0.03 96.14 0.37 0.31 3.00 95.31 0.98 0.01 0.01 0.01 46 S H H 40.26 7.92 15.82 24.83 92.09 50.45 -65.20 -40.41 4.58 0.07 95.35 0.44 0.42 3.66 93.89 1.49 0.03 0.05 0.02 47 F H H 99.01 5.51 16.61 22.93 92.10 50.05 -65.41 -40.96 3.20 0.07 96.73 0.27 0.33 2.64 94.52 2.12 0.05 0.05 0.02 48 Y H H 125.59 3.86 16.43 20.88 92.61 49.48 -66.42 -40.06 3.04 0.08 96.88 0.24 0.28 2.56 93.17 3.60 0.06 0.06 0.02 49 W H H 138.11 5.54 15.47 21.68 93.51 46.64 -70.73 -35.77 4.37 0.04 95.59 0.23 0.29 3.93 90.17 5.30 0.04 0.03 0.01 50 A H H 57.89 7.37 14.23 22.14 94.37 48.60 -77.93 -26.33 16.00 0.08 83.92 0.66 1.11 14.55 79.14 4.36 0.11 0.04 0.05 51 Y H H 124.85 5.77 14.60 21.49 101.89 41.46 -103.65 1.75 45.22 0.85 53.94 5.15 9.09 32.07 48.62 3.71 0.37 0.27 0.72 52 L C C 81.89 7.80 14.06 23.15 115.25 121.23 -80.93 134.99 97.03 1.51 1.46 50.20 44.55 2.44 0.90 0.44 0.00 0.53 0.95 53 P C C 64.95 10.34 13.10 24.17 111.99 -107.18 -68.89 144.87 97.13 1.44 1.44 79.50 14.07 3.45 0.59 0.75 0.00 0.60 1.04 54 D C C 58.49 9.26 12.07 22.69 113.21 -146.03 -97.23 129.66 95.25 2.91 1.84 85.92 6.66 1.94 0.88 0.78 0.00 0.87 2.93 55 T H G 97.03 3.48 13.38 18.39 94.76 -144.05 -67.14 -25.76 44.65 0.41 54.95 6.42 7.02 30.52 7.48 48.07 0.01 0.20 0.27 56 Q H G 137.57 1.60 15.12 16.46 93.12 56.41 -71.89 -16.51 45.49 0.23 54.28 2.96 5.23 36.04 8.82 46.61 0.02 0.11 0.19 57 F H G 75.14 11.92 11.92 24.24 98.84 39.59 -93.16 9.07 40.75 0.48 58.77 15.45 5.61 19.47 13.16 45.80 0.00 0.25 0.27 58 R H H 98.77 11.97 14.40 26.70 93.23 115.11 -61.50 -41.70 7.01 0.02 92.96 2.26 0.97 3.61 90.45 2.69 0.00 0.01 0.01 59 N H H 93.40 3.63 20.69 24.37 92.10 51.67 -65.06 -40.02 2.75 0.01 97.25 0.43 0.25 1.86 95.48 1.96 0.00 0.00 0.00 60 W H H 92.77 7.18 20.55 28.15 91.93 49.69 -64.94 -41.94 1.20 0.00 98.80 0.20 0.09 0.78 97.25 1.68 0.00 0.00 0.00 61 A H H 13.89 16.77 17.26 34.86 91.73 50.97 -63.94 -42.40 0.61 0.00 99.38 0.14 0.05 0.33 99.09 0.38 0.00 0.00 0.00 62 Q H H 65.28 11.83 22.18 33.79 91.97 50.42 -64.12 -41.65 0.31 0.00 99.69 0.05 0.02 0.18 99.65 0.10 0.00 0.00 0.00 63 R H H 103.11 5.47 24.64 30.29 91.68 49.91 -64.32 -42.26 0.21 0.00 99.79 0.02 0.01 0.13 99.78 0.05 0.00 0.00 0.00 64 E H H 51.66 10.78 23.13 34.13 91.88 49.20 -64.88 -41.89 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.03 0.00 0.00 0.00 65 G H H 8.25 17.31 19.33 37.34 91.57 51.60 -63.43 -42.56 0.22 0.00 99.78 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 66 F H H 77.27 8.85 22.98 32.30 91.70 50.25 -64.09 -42.03 0.20 0.00 99.80 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 67 L H H 64.89 5.33 22.92 28.63 91.32 50.12 -64.04 -41.75 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 68 E H H 47.81 12.02 20.20 32.73 91.83 50.16 -64.56 -41.63 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 69 L H H 32.90 14.46 17.60 32.68 91.79 50.08 -64.41 -41.94 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 70 R H H 123.82 3.50 20.91 24.31 91.57 50.18 -63.94 -41.56 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 71 R H H 105.75 4.12 18.70 23.07 91.95 49.46 -64.76 -41.28 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 72 R H H 50.87 10.61 13.26 25.52 92.10 49.80 -65.14 -41.21 0.29 0.00 99.71 0.03 0.01 0.19 99.68 0.08 0.00 0.00 0.00 73 E H H 94.46 6.17 13.47 20.97 92.04 50.82 -64.05 -40.85 0.65 0.00 99.35 0.04 0.02 0.49 99.09 0.36 0.00 0.00 0.00 74 L H H 131.17 1.17 14.33 15.14 90.91 52.22 -66.27 -29.30 5.19 0.00 94.81 0.10 0.13 5.15 94.05 0.56 0.00 0.00 0.00 75 A C T 70.51 3.38 11.74 16.47 93.03 50.95 -87.93 -0.95 78.94 0.01 21.04 0.19 0.65 78.71 19.88 0.55 0.00 0.00 0.01 76 G C T 63.04 0.87 14.49 14.37 94.53 -111.00 78.81 15.07 99.89 0.00 0.10 0.60 0.63 98.73 0.03 0.01 0.00 0.00 0.00 77 V C C 56.10 10.12 8.67 20.01 118.68 141.21 -95.94 140.48 99.49 0.42 0.09 93.48 5.75 0.18 0.03 0.03 0.00 0.12 0.40 78 D C C 96.32 3.28 18.07 21.73 112.43 -106.87 -71.84 139.95 99.20 0.51 0.30 95.67 2.67 0.89 0.07 0.18 0.00 0.20 0.31 79 L C S 69.91 15.14 13.46 28.01 96.29 -135.58 -71.81 -22.50 97.48 1.59 0.94 30.63 51.06 15.63 0.15 0.93 0.00 0.69 0.90 80 V C C 56.79 13.66 13.34 27.05 116.43 62.37 -102.23 126.26 93.24 5.62 1.14 42.54 36.47 13.12 0.22 1.03 0.00 1.61 5.02 81 S C C 42.87 8.29 14.98 24.60 118.88 -155.94 -93.58 148.75 98.73 0.90 0.37 90.78 7.35 0.56 0.07 0.30 0.00 0.38 0.55 82 P C T 97.27 5.39 14.46 21.42 91.56 -117.95 -62.67 -22.56 83.15 0.40 16.44 7.23 7.95 65.27 0.86 18.25 0.00 0.23 0.20 83 N C T 88.23 7.35 15.01 23.37 94.17 65.29 -82.21 1.50 84.79 0.46 14.76 9.01 6.31 67.98 1.55 14.66 0.00 0.26 0.23 84 Y C S 76.22 14.12 14.38 28.42 96.88 104.68 -77.83 -18.36 81.96 2.66 15.38 28.55 29.91 21.91 1.56 15.12 0.00 1.15 1.80 85 V C S 37.25 15.79 12.51 28.33 122.71 45.35 -117.14 133.73 91.83 6.99 1.18 28.78 59.84 2.32 0.51 0.51 0.00 1.72 6.32 86 D C C 78.15 4.15 19.95 24.39 108.08 -126.08 -85.12 117.01 99.76 0.22 0.03 98.57 1.20 0.05 0.01 0.01 0.00 0.08 0.08 87 P H G 51.12 16.28 9.55 25.38 92.36 -148.49 -61.05 -26.94 16.88 0.13 82.99 1.70 1.29 10.86 0.83 85.22 0.00 0.08 0.01 88 A H G 91.31 1.48 15.60 17.42 90.08 64.96 -68.27 -17.83 17.02 0.08 82.90 0.58 0.97 12.99 0.65 84.75 0.00 0.05 0.01 89 S H G 77.55 2.77 14.77 18.34 94.35 55.34 -91.23 -6.78 16.82 0.20 82.98 1.69 1.94 10.23 0.63 85.37 0.00 0.12 0.02 90 I C C 35.61 18.10 7.68 24.69 119.79 89.63 -99.65 137.05 93.76 5.40 0.84 58.86 34.38 0.83 0.28 0.49 0.00 2.25 2.90 91 T C C 105.21 1.73 20.25 21.51 112.99 -143.01 -99.29 121.11 90.09 9.75 0.15 88.67 2.14 0.21 0.06 0.07 0.00 4.31 4.53 92 L C C 53.03 18.48 10.31 27.64 119.99 -153.86 -93.44 140.76 98.37 1.59 0.04 95.11 3.46 0.09 0.02 0.02 0.00 0.81 0.50 93 P C C 39.04 11.18 12.33 25.05 118.10 -106.13 -66.84 157.21 99.62 0.28 0.09 97.61 1.85 0.23 0.04 0.03 0.00 0.12 0.13 94 S C C 64.23 2.48 17.33 19.42 117.91 -102.53 -70.95 161.45 98.61 0.58 0.81 95.55 2.54 0.54 0.50 0.18 0.00 0.14 0.55 95 D H H 102.42 5.65 10.55 18.16 91.54 -105.81 -58.99 -36.09 20.91 0.26 78.82 4.06 3.71 12.03 46.51 33.35 0.06 0.12 0.14 96 E H H 154.33 0.75 13.56 13.37 91.91 57.75 -65.77 -31.81 14.72 0.08 85.20 1.26 1.29 10.35 47.85 39.15 0.01 0.04 0.03 97 D H H 83.94 5.13 12.52 19.02 93.81 50.85 -75.75 -25.08 13.39 0.14 86.47 1.49 1.36 8.76 51.46 36.78 0.02 0.08 0.05 98 L H H 43.07 14.93 9.06 23.54 98.25 45.93 -93.15 -11.31 29.15 1.16 69.69 7.36 6.32 15.58 47.56 21.77 0.22 0.56 0.62 99 G C T 37.79 4.24 14.77 20.49 116.87 -155.99 70.08 -155.46 92.06 2.20 5.75 32.51 15.26 45.04 2.62 2.53 0.00 1.09 0.96 100 D C T 124.41 1.53 14.59 16.48 101.59 -21.95 -84.88 47.26 93.44 3.20 3.36 27.52 25.29 41.13 0.71 2.47 0.00 2.24 0.64 101 T C C 55.57 10.42 10.38 21.91 121.50 134.49 -104.07 142.41 84.18 14.08 1.74 65.31 15.58 3.03 0.46 1.35 0.00 12.46 1.81 102 E C C 122.87 4.23 16.19 21.70 114.12 -122.68 -84.00 130.49 63.41 35.62 0.97 56.81 3.92 1.29 0.30 0.61 0.00 34.86 2.21 103 I C C 57.65 14.73 10.76 25.58 115.33 -150.89 -100.72 124.28 51.35 48.16 0.49 48.58 1.57 0.43 0.22 0.23 0.00 46.50 2.48 104 I C C 87.04 6.91 15.25 23.52 111.69 -155.75 -95.57 118.58 58.09 41.64 0.27 58.31 0.45 0.20 0.13 0.08 0.00 38.28 2.54 105 I C C 73.12 12.75 13.68 26.36 112.51 -167.10 -99.65 118.60 98.97 1.03 0.01 99.01 0.08 0.02 0.00 0.00 0.00 0.88 0.02