# 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 P C C 85.72 4.16 12.81 18.40 116.42 -104.36 -69.32 151.14 99.96 0.03 0.01 99.70 0.24 0.04 0.00 0.00 0.00 0.01 0.01 1 P C C 100.87 3.65 10.06 15.53 112.17 -104.80 -68.72 148.04 99.22 0.27 0.51 97.96 0.68 0.75 0.19 0.12 0.00 0.07 0.23 2 E C C 131.67 3.05 9.49 14.44 114.47 -107.69 -79.01 140.02 97.43 0.51 2.06 89.31 6.63 1.72 0.96 0.80 0.00 0.20 0.38 3 P C C 94.50 4.45 9.35 15.50 106.60 -106.87 -67.28 136.41 86.46 1.45 12.08 68.64 7.95 10.07 4.47 7.32 0.00 0.84 0.71 4 T C C 94.27 4.25 9.58 15.30 110.32 -133.80 -93.41 112.83 80.64 4.77 14.58 55.62 14.76 10.28 6.41 8.05 0.01 2.74 2.14 5 I C C 104.94 5.31 9.69 16.66 114.69 -155.90 -98.58 129.78 77.93 7.14 14.93 54.53 17.65 5.94 7.74 7.14 0.01 4.61 2.38 6 R C C 159.73 3.01 11.25 15.86 113.15 -139.23 -92.79 127.48 81.74 6.90 11.37 70.60 6.75 4.52 6.00 5.11 0.00 4.89 2.13 7 L C C 95.87 7.45 8.40 17.09 112.01 -131.01 -84.01 134.52 81.43 5.01 13.56 64.48 8.92 7.88 5.53 8.02 0.00 3.25 1.92 8 Q C C 126.67 3.11 11.19 15.74 113.78 -148.72 -92.44 135.20 85.37 4.04 10.59 58.31 16.08 11.02 3.76 6.69 0.00 2.35 1.79 9 E C C 134.18 3.67 10.06 15.47 111.06 -126.71 -82.84 131.51 89.63 2.91 7.46 52.89 27.56 9.45 2.19 4.93 0.00 1.46 1.51 10 D C C 92.22 4.49 10.23 16.46 110.76 -149.07 -101.50 108.73 98.10 1.18 0.72 72.98 23.42 1.77 0.29 0.38 0.00 0.51 0.65 11 P C C 87.29 5.70 9.34 16.72 106.34 -153.84 -71.55 107.20 96.86 0.62 2.52 60.54 25.22 11.20 0.95 1.42 0.00 0.28 0.39 12 D C C 94.64 3.52 11.20 16.22 112.87 -115.10 -84.50 132.93 94.54 0.84 4.62 50.66 35.59 8.36 2.61 1.86 0.00 0.31 0.61 13 P C C 84.56 4.67 10.51 16.84 103.91 -107.68 -73.42 49.72 75.30 1.07 23.63 51.06 12.07 11.96 14.62 9.11 0.00 0.49 0.70 14 E C C 113.33 5.25 10.92 17.60 101.75 75.77 -76.04 -12.03 59.95 1.33 38.72 36.13 11.31 12.88 25.35 12.95 0.01 0.64 0.72 15 D C C 85.18 6.03 11.21 18.54 102.90 67.19 -81.17 8.96 53.33 1.70 44.97 33.19 9.98 10.52 30.38 14.28 0.02 0.88 0.75 16 E C H 117.38 4.57 12.27 18.20 101.31 81.29 -79.02 -12.01 49.88 1.70 48.42 31.56 10.09 8.97 35.86 11.91 0.02 0.87 0.71 17 N C C 82.98 5.64 12.55 19.59 104.10 63.40 -88.46 53.75 57.33 1.54 41.13 41.73 7.81 8.09 31.17 9.69 0.00 0.79 0.72 18 L H H 81.58 8.36 11.60 21.21 96.56 139.99 -71.91 -24.13 44.64 1.72 53.64 24.11 9.33 11.81 37.32 15.75 0.04 0.92 0.72 19 Y H H 127.67 6.82 12.38 20.33 99.85 64.28 -81.00 -11.39 46.43 2.90 50.67 23.09 10.16 13.80 33.33 16.77 0.09 1.63 1.13 20 E C C 119.97 4.13 13.67 19.10 105.39 79.45 -83.23 53.84 55.19 3.65 41.16 32.81 10.33 12.55 26.62 14.12 0.04 2.03 1.50 21 K C C 118.89 6.32 12.93 20.49 108.56 75.05 -86.44 102.61 72.98 4.48 22.55 40.56 22.67 10.56 16.12 5.48 0.05 1.72 2.84 22 N C C 66.25 9.07 11.68 22.07 111.06 -15.44 -108.02 106.42 95.68 2.95 1.37 70.88 22.19 2.50 0.68 0.63 0.00 1.24 1.89 23 P C C 73.79 7.57 12.62 21.82 100.98 -158.33 -70.28 6.54 89.65 2.33 8.02 42.60 17.97 29.36 1.70 6.03 0.00 1.10 1.23 24 D C T 81.51 6.48 12.45 20.23 110.01 79.18 -89.87 120.64 82.08 7.45 10.48 29.56 24.01 29.61 1.96 7.64 0.04 3.25 3.92 25 S C C 72.23 5.39 11.81 18.57 100.56 -128.59 -83.08 2.54 80.57 5.56 13.87 30.18 23.87 27.06 1.87 11.56 0.01 2.71 2.75 26 H C T 121.95 4.68 12.33 18.25 100.23 63.05 -94.11 12.80 83.84 4.74 11.42 19.42 25.49 39.05 1.53 9.59 0.02 2.32 2.58 27 G C T 44.17 5.25 12.81 19.45 103.86 -90.09 83.32 -0.34 89.38 4.58 6.05 21.56 33.12 34.77 0.78 5.41 0.01 2.45 1.90 28 Y C C 144.25 4.76 13.01 18.76 101.11 76.59 -91.59 -7.09 84.24 12.46 3.30 44.16 26.58 13.74 0.78 2.72 0.01 5.35 6.66 29 D C C 55.77 9.56 9.66 20.54 119.60 88.23 -108.54 137.64 90.43 8.27 1.31 70.04 14.60 5.04 0.41 0.96 0.00 4.02 4.93 30 K C S 162.29 1.72 14.00 16.36 96.58 -157.90 -80.93 -14.02 98.70 0.71 0.59 20.99 74.04 3.92 0.20 0.23 0.00 0.35 0.27 31 D C C 77.36 3.90 13.40 18.74 109.99 81.10 -99.04 107.74 98.74 0.81 0.44 60.73 37.38 0.69 0.31 0.11 0.00 0.25 0.52 32 P H H 73.17 8.06 11.77 21.48 93.65 -163.76 -62.67 -33.81 9.24 0.13 90.63 3.43 2.12 4.21 89.01 1.10 0.01 0.06 0.05 33 I H H 101.55 3.23 15.71 19.51 92.43 53.93 -65.13 -41.06 3.79 0.06 96.15 0.86 0.52 2.42 95.35 0.79 0.01 0.04 0.02 34 V H H 68.62 3.74 16.61 21.14 92.38 48.38 -65.81 -41.35 1.34 0.03 98.63 0.44 0.14 0.68 98.16 0.54 0.00 0.02 0.00 35 D H H 31.10 9.14 13.75 25.12 92.39 50.88 -64.11 -41.57 0.64 0.01 99.35 0.24 0.06 0.28 99.17 0.24 0.00 0.00 0.00 36 L H H 66.33 6.95 17.22 25.31 92.02 50.28 -64.07 -42.34 0.26 0.00 99.74 0.04 0.02 0.15 99.70 0.09 0.00 0.00 0.00 37 W H H 121.54 5.16 18.31 24.12 92.20 49.47 -64.28 -42.25 0.19 0.00 99.81 0.03 0.01 0.12 99.78 0.06 0.00 0.00 0.00 38 N H H 73.19 5.50 18.31 24.61 92.07 49.09 -65.37 -40.96 0.24 0.00 99.76 0.03 0.01 0.16 99.74 0.06 0.00 0.00 0.00 39 M H H 77.24 6.33 17.93 25.22 92.09 50.22 -65.12 -41.41 0.15 0.00 99.85 0.01 0.01 0.11 99.83 0.05 0.00 0.00 0.00 40 R H H 98.76 7.18 17.87 25.84 92.07 50.21 -64.92 -41.13 0.22 0.00 99.78 0.01 0.01 0.17 99.75 0.06 0.00 0.00 0.00 41 V H H 62.52 6.73 17.78 25.50 92.31 49.88 -64.93 -41.85 0.23 0.00 99.77 0.01 0.01 0.18 99.75 0.05 0.00 0.00 0.00 42 V H H 72.04 4.31 18.90 23.62 92.20 49.21 -64.81 -42.29 0.19 0.00 99.81 0.02 0.01 0.13 99.80 0.04 0.00 0.00 0.00 43 F H H 95.51 5.32 18.58 24.45 92.21 48.75 -65.10 -41.71 0.29 0.00 99.71 0.02 0.01 0.23 99.67 0.08 0.00 0.00 0.00 44 F H H 81.15 8.27 17.39 26.51 92.17 48.68 -64.95 -41.93 0.33 0.00 99.67 0.02 0.02 0.27 99.60 0.09 0.00 0.00 0.00 45 F H H 98.33 6.08 18.48 25.02 92.34 48.57 -65.32 -41.59 0.45 0.00 99.55 0.03 0.02 0.35 99.49 0.10 0.00 0.00 0.00 46 G H H 34.44 3.85 19.06 23.09 91.96 49.77 -65.18 -41.59 1.03 0.00 98.97 0.06 0.05 0.84 98.87 0.17 0.00 0.00 0.00 47 F H H 93.83 5.84 19.02 25.24 92.46 47.51 -66.09 -41.64 1.95 0.01 98.04 0.11 0.12 1.63 97.90 0.23 0.01 0.00 0.00 48 S H H 32.37 10.21 16.47 27.75 92.27 50.25 -65.20 -41.86 2.91 0.03 97.06 0.30 0.27 2.26 96.79 0.33 0.02 0.01 0.01 49 I H H 83.11 5.10 19.24 24.70 92.17 49.38 -64.76 -41.89 1.86 0.04 98.10 0.31 0.21 1.32 97.64 0.47 0.02 0.02 0.01 50 V H H 76.29 3.77 19.04 22.82 92.25 49.26 -65.32 -41.79 1.47 0.07 98.46 0.27 0.15 1.05 97.58 0.87 0.02 0.05 0.01 51 L H H 73.10 7.15 17.62 25.46 92.45 48.15 -66.16 -41.05 1.95 0.13 97.92 0.20 0.17 1.63 96.71 1.13 0.03 0.10 0.02 52 V H H 61.12 7.73 16.81 25.27 92.70 46.25 -66.23 -41.46 4.28 0.26 95.46 0.28 0.36 3.88 94.07 1.07 0.11 0.17 0.05 53 L H H 88.80 3.71 18.21 22.05 92.42 47.96 -66.25 -40.47 10.26 0.21 89.53 0.76 0.98 8.84 87.61 1.48 0.13 0.12 0.08 54 G H H 32.33 4.38 16.38 21.73 92.44 50.95 -65.20 -41.41 15.12 0.17 84.70 2.15 2.00 11.47 81.55 2.55 0.11 0.08 0.10 55 S H H 47.69 5.53 15.69 22.33 92.63 50.02 -65.97 -39.82 13.44 0.21 86.35 1.87 1.94 10.21 81.32 4.30 0.15 0.11 0.10 56 T H H 61.92 5.80 15.03 21.85 92.94 49.35 -67.39 -38.57 9.24 0.18 90.58 1.14 1.26 7.22 84.87 5.18 0.14 0.12 0.07 57 F H H 113.25 4.23 14.29 19.61 93.50 49.69 -68.51 -36.71 9.07 0.22 90.72 1.08 1.31 6.99 83.22 6.94 0.23 0.13 0.09 58 V H H 95.85 3.16 14.15 17.97 94.66 47.25 -74.10 -32.41 14.64 0.23 85.13 1.28 1.81 11.78 77.30 7.26 0.32 0.13 0.12 59 A H H 71.77 3.52 13.62 17.66 96.91 45.83 -80.85 -27.71 30.38 0.52 69.10 3.00 5.44 22.89 61.85 5.75 0.48 0.23 0.35 60 Y C H 123.70 5.61 12.47 19.28 108.24 37.82 -112.93 39.86 61.39 2.22 36.40 16.17 23.71 23.04 30.51 3.98 0.25 0.71 1.62 61 L C C 93.48 6.06 13.95 21.63 116.16 -153.60 -75.84 133.17 96.94 1.22 1.84 70.09 24.02 2.79 1.17 0.60 0.00 0.50 0.82 62 P C C 54.54 12.54 10.86 23.78 113.64 -108.29 -68.79 147.87 97.16 1.03 1.81 84.36 9.64 3.12 0.90 0.75 0.00 0.43 0.80 63 D C C 71.37 5.52 14.01 20.87 115.47 -118.06 -80.98 149.67 95.67 1.55 2.78 86.33 6.71 2.39 1.67 0.90 0.00 0.49 1.52 64 Y H H 164.16 3.02 12.91 17.47 93.57 -114.06 -62.77 -30.58 40.21 0.27 59.51 4.79 5.56 27.61 32.54 29.06 0.08 0.13 0.23 65 R H H 162.69 1.91 15.25 17.18 93.07 55.29 -68.38 -24.97 38.75 0.18 61.07 3.21 3.86 29.04 36.22 27.37 0.07 0.09 0.15 66 M H H 60.62 11.69 12.81 25.08 97.07 46.80 -90.16 -11.80 27.69 0.34 71.97 8.89 3.65 13.92 45.16 27.99 0.03 0.18 0.18 67 Q H H 65.46 12.78 14.81 27.82 92.72 75.39 -62.42 -41.53 6.37 0.03 93.60 2.23 0.87 3.06 91.50 2.32 0.00 0.01 0.01 68 E H H 103.51 3.50 21.37 24.59 91.97 51.45 -64.92 -40.75 2.15 0.01 97.85 0.44 0.21 1.30 96.87 1.18 0.00 0.00 0.00 69 W H H 95.70 6.52 21.03 28.00 91.72 49.98 -64.26 -42.13 1.07 0.00 98.93 0.23 0.09 0.64 98.11 0.93 0.00 0.00 0.00 70 A H H 14.14 16.53 17.40 34.67 91.72 51.09 -63.70 -42.72 0.50 0.00 99.50 0.15 0.04 0.25 99.35 0.21 0.00 0.00 0.00 71 R H H 90.24 11.24 22.18 33.18 91.73 50.43 -63.78 -41.83 0.16 0.00 99.84 0.03 0.01 0.09 99.83 0.05 0.00 0.00 0.00 72 R H H 104.64 4.56 24.56 29.02 91.59 50.14 -63.97 -42.43 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 73 E H H 52.45 10.12 22.64 33.06 91.84 49.29 -64.61 -41.99 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 74 A H H 13.05 17.05 18.65 36.31 91.25 51.48 -63.34 -42.29 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 75 E H H 78.87 7.79 22.71 30.98 91.46 50.76 -63.70 -41.54 0.18 0.00 99.82 0.01 0.00 0.14 99.82 0.03 0.00 0.00 0.00 76 R H H 104.37 4.47 23.16 27.36 91.54 50.36 -64.62 -41.60 0.12 0.00 99.88 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 77 L H H 41.98 12.06 19.66 32.26 91.88 50.10 -64.44 -41.80 0.05 0.00 99.95 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 78 V H H 31.25 13.66 17.34 31.72 91.74 50.05 -64.11 -42.17 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 79 K H H 111.82 2.68 21.04 23.16 91.50 50.14 -63.97 -41.75 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 Y H H 101.32 3.96 18.38 22.73 91.81 49.33 -64.67 -41.93 0.11 0.00 99.89 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 81 R H H 51.05 11.05 12.97 25.49 92.19 49.67 -65.06 -41.14 0.30 0.00 99.70 0.03 0.02 0.20 99.69 0.07 0.00 0.00 0.00 82 E H H 94.74 5.89 13.42 20.78 91.75 50.16 -64.10 -40.73 0.82 0.00 99.18 0.05 0.03 0.63 98.94 0.34 0.00 0.00 0.00 83 A H H 88.91 1.11 14.40 15.02 90.88 52.60 -66.43 -28.41 6.93 0.01 93.06 0.14 0.18 6.92 92.19 0.57 0.00 0.00 0.00 84 N C T 103.00 3.02 12.36 16.50 93.48 49.37 -90.61 1.60 84.59 0.01 15.40 0.20 0.73 83.99 14.58 0.48 0.00 0.00 0.01 85 G C T 59.15 1.40 14.51 15.83 95.32 -108.86 79.27 13.00 99.89 0.00 0.11 0.74 0.76 98.45 0.03 0.02 0.00 0.00 0.00 86 L C C 57.84 10.39 8.74 20.39 117.59 145.74 -92.03 139.48 99.67 0.30 0.03 94.60 4.99 0.07 0.01 0.01 0.00 0.08 0.23 87 P C C 75.15 4.01 16.39 21.20 113.40 -105.94 -66.51 147.49 99.37 0.34 0.28 95.74 2.65 1.00 0.06 0.20 0.00 0.16 0.20 88 L C S 87.01 11.60 11.89 23.74 96.41 -115.02 -65.98 -23.04 95.21 2.26 2.54 35.18 36.52 23.13 0.35 2.47 0.00 0.93 1.43 89 M C C 111.78 6.70 12.88 20.47 102.15 56.84 -89.80 18.91 93.31 4.05 2.64 45.20 25.75 21.80 0.35 2.63 0.00 1.53 2.72 90 E C C 89.20 7.10 11.58 20.20 118.43 124.02 -88.69 143.99 94.66 2.46 2.87 70.87 20.57 2.71 0.68 2.31 0.00 0.91 1.95 91 S C T 88.57 2.57 13.65 17.47 94.18 -111.75 -64.95 -20.98 83.96 0.68 15.35 7.47 11.83 63.09 1.30 15.51 0.00 0.40 0.39 92 N C T 88.47 7.15 12.95 21.13 98.57 59.84 -89.14 14.16 84.66 0.52 14.83 13.06 7.90 62.90 1.80 13.74 0.00 0.31 0.29 93 C C S 49.46 12.16 12.62 25.27 100.74 116.86 -80.50 -5.15 86.38 3.61 10.01 31.48 33.93 20.68 1.62 8.32 0.01 1.51 2.45 94 F C S 67.75 12.45 12.07 25.25 123.42 51.56 -113.29 139.65 89.48 9.35 1.17 29.98 55.02 3.36 0.49 0.59 0.00 2.59 7.95 95 D C C 76.64 4.13 17.84 22.69 108.34 -119.83 -83.14 118.25 99.64 0.32 0.04 98.56 1.12 0.06 0.01 0.01 0.00 0.13 0.10 96 P H G 61.87 13.48 9.28 22.99 92.19 -149.76 -61.46 -26.44 12.53 0.12 87.35 1.38 1.07 7.84 0.82 88.80 0.00 0.08 0.01 97 N H G 131.37 1.12 14.88 15.88 89.93 64.37 -69.99 -16.27 12.38 0.09 87.53 0.57 0.84 9.03 0.69 88.80 0.00 0.06 0.01 98 K H G 137.08 2.59 14.02 17.47 94.91 56.24 -93.15 -5.09 12.83 0.25 86.93 1.85 1.76 7.15 0.74 88.31 0.00 0.17 0.02 99 I C C 44.26 16.14 7.21 22.64 118.12 94.17 -91.14 131.85 85.83 11.71 2.46 56.38 28.22 1.44 0.79 1.61 0.00 5.87 5.68 100 Q C C 135.22 1.72 17.77 19.41 114.11 -149.62 -102.62 123.67 83.81 15.88 0.31 82.21 2.30 0.33 0.13 0.16 0.00 8.22 6.65 101 L C C 70.25 13.93 8.99 22.70 119.36 -150.43 -93.16 141.29 97.85 2.07 0.07 93.77 4.21 0.16 0.03 0.03 0.00 1.25 0.55 102 P C C 65.36 6.68 10.74 19.30 115.54 -105.74 -67.14 153.15 98.78 0.73 0.49 93.58 4.15 1.12 0.13 0.31 0.00 0.35 0.37 103 E C C 136.63 2.11 11.50 14.76 114.31 -104.54 -74.60 152.84 95.00 1.36 3.65 82.86 7.25 4.60 0.89 2.75 0.00 0.56 1.09 104 D C C 120.22 2.08 8.95 12.51 101.89 -100.50 -71.43 3.01 90.86 1.04 8.10 36.21 23.65 30.76 1.22 7.10 0.00 0.48 0.58 105 E C C 145.38 1.82 7.84 11.08 104.90 81.47 -81.83 47.60 92.30 0.76 6.94 65.59 3.78 23.58 1.45 4.79 0.00 0.43 0.38 106 D C C 108.25 2.79 9.58 13.95 105.60 83.17 -81.08 66.54 99.65 0.09 0.26 99.18 0.29 0.31 0.08 0.06 0.00 0.05 0.03