# 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 93.68 8.91 12.38 22.10 111.42 -148.42 -90.82 123.47 99.67 0.28 0.04 99.60 0.14 0.06 0.02 0.00 0.00 0.14 0.04 1 K C C 130.89 4.43 12.09 18.33 117.59 -152.24 -98.96 137.83 88.61 8.80 2.59 84.14 2.37 2.17 1.37 0.97 0.00 5.27 3.71 2 K C C 143.05 3.43 12.25 17.60 116.09 -133.12 -95.92 135.43 81.74 14.50 3.76 61.90 14.83 4.42 1.74 2.20 0.00 8.82 6.09 3 T C C 65.15 10.59 8.88 19.99 118.77 -145.83 -101.56 141.66 82.81 14.05 3.14 66.91 11.07 4.12 1.33 1.90 0.00 8.40 6.27 4 T C C 93.66 4.34 13.54 19.25 106.03 -155.98 -96.56 20.40 84.14 11.43 4.43 43.98 26.94 14.02 1.52 2.73 0.02 5.38 5.41 5 G C S 49.23 5.00 14.41 20.52 104.45 -78.03 83.21 -11.43 91.32 2.85 5.83 15.00 45.33 31.64 1.14 4.10 0.00 1.62 1.15 6 L C S 74.66 11.30 11.06 22.72 110.40 74.81 -97.57 101.46 80.41 11.73 7.87 27.67 31.98 21.48 1.83 5.57 0.06 5.54 5.87 7 V C T 97.26 5.84 13.35 20.81 111.43 -137.39 -73.77 129.78 81.63 9.55 8.82 12.65 15.58 53.13 2.18 6.51 0.08 6.08 3.78 8 G C T 52.46 3.91 16.43 21.22 97.57 15.44 83.96 -2.31 86.48 6.94 6.58 15.66 18.07 52.97 1.37 5.17 0.02 5.03 1.72 9 L C C 57.79 13.48 12.32 26.26 116.54 115.23 -91.76 137.56 72.46 22.63 4.91 54.81 11.76 5.06 1.93 3.28 0.02 16.15 6.99 10 A C C 56.07 8.14 18.20 26.99 112.54 -121.53 -74.19 137.57 63.71 32.68 3.60 50.46 8.22 3.93 1.92 2.01 0.02 24.47 8.97 11 V C C 63.06 13.83 15.36 29.02 116.47 -144.69 -100.44 131.93 70.79 26.69 2.52 50.28 15.16 4.48 1.24 1.57 0.03 18.65 8.60 12 C C C 28.63 14.95 12.73 28.20 124.88 -149.58 -113.84 145.30 84.15 15.09 0.76 76.19 6.52 1.11 0.42 0.37 0.00 9.55 5.85 13 E C S 149.79 1.89 18.16 20.35 94.28 -135.71 -70.95 -28.03 99.57 0.28 0.14 5.97 92.27 1.46 0.05 0.04 0.00 0.13 0.08 14 T C S 62.93 6.32 18.42 25.71 112.12 25.13 -126.17 91.31 99.38 0.33 0.29 45.88 52.83 0.72 0.19 0.06 0.00 0.09 0.22 15 P H H 16.92 20.52 14.35 35.12 93.17 -167.58 -62.51 -36.11 5.85 0.03 94.12 1.62 0.96 3.25 91.78 2.37 0.01 0.01 0.01 16 H H H 55.79 15.83 18.21 33.56 91.70 55.54 -63.01 -40.91 2.76 0.01 97.24 0.30 0.23 2.07 94.99 2.40 0.01 0.00 0.00 17 E H H 100.08 3.36 23.08 25.86 91.88 49.68 -65.88 -40.26 1.47 0.01 98.52 0.28 0.13 0.94 96.08 2.56 0.00 0.01 0.00 18 R H H 80.67 10.08 20.53 31.05 91.85 49.70 -65.24 -41.29 0.91 0.01 99.08 0.25 0.09 0.45 98.70 0.51 0.00 0.00 0.00 19 L H H 7.38 23.60 16.81 40.32 91.70 50.00 -64.73 -41.83 0.43 0.00 99.57 0.09 0.03 0.21 99.55 0.12 0.00 0.00 0.00 20 K H H 87.32 11.07 21.14 32.09 91.27 51.85 -62.51 -41.46 0.17 0.00 99.83 0.02 0.01 0.09 99.81 0.08 0.00 0.00 0.00 21 I H H 85.25 3.38 23.85 26.52 91.73 49.57 -64.39 -42.39 0.12 0.00 99.88 0.01 0.00 0.07 99.84 0.07 0.00 0.00 0.00 22 L H H 28.30 14.63 20.57 35.52 91.80 49.10 -64.52 -42.44 0.18 0.00 99.82 0.01 0.00 0.13 99.78 0.07 0.00 0.00 0.00 23 Y H H 22.99 20.64 18.28 38.51 92.19 50.28 -64.47 -41.31 0.40 0.00 99.60 0.03 0.01 0.28 99.63 0.05 0.00 0.00 0.00 24 T H H 61.57 5.87 22.33 28.58 91.61 51.57 -64.12 -41.05 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 25 K H H 99.65 4.47 23.13 27.52 91.77 50.29 -64.97 -41.18 0.23 0.00 99.77 0.02 0.01 0.15 99.78 0.05 0.00 0.00 0.00 26 I H H 15.60 19.30 18.39 37.62 92.02 49.54 -64.64 -42.93 0.30 0.00 99.70 0.03 0.01 0.19 99.68 0.08 0.00 0.00 0.00 27 L H H 39.50 14.69 18.96 33.74 91.58 51.12 -63.42 -40.41 0.25 0.00 99.75 0.02 0.01 0.16 99.66 0.15 0.00 0.00 0.00 28 D H H 92.10 2.00 23.27 23.83 91.95 50.73 -64.49 -40.59 0.66 0.00 99.34 0.04 0.02 0.52 98.88 0.55 0.00 0.00 0.00 29 V H H 38.19 9.97 18.83 30.08 92.10 49.21 -65.59 -41.23 1.15 0.00 98.85 0.07 0.05 0.94 97.39 1.56 0.00 0.00 0.00 30 L H H 17.39 20.95 13.38 34.11 91.56 52.89 -65.06 -35.58 1.83 0.00 98.16 0.09 0.09 1.55 92.85 5.41 0.00 0.00 0.00 31 G H H 46.81 5.16 17.80 24.24 90.76 60.29 -67.75 -21.49 32.23 0.01 67.75 0.35 0.61 32.92 60.38 5.70 0.01 0.01 0.01 32 Q C T 134.96 1.59 18.73 19.57 94.62 54.20 -88.73 -7.66 64.45 0.03 35.52 0.90 1.94 63.00 28.77 5.33 0.00 0.01 0.04 33 I C S 31.38 18.43 7.19 24.39 117.64 98.33 -78.72 140.82 99.78 0.10 0.12 10.50 89.10 0.23 0.07 0.01 0.00 0.02 0.08 34 P C C 69.41 3.45 16.42 20.61 113.20 -103.37 -62.84 144.05 99.78 0.12 0.10 99.16 0.49 0.18 0.03 0.03 0.00 0.03 0.08 35 K C T 146.90 5.01 11.06 18.29 91.97 -121.72 -61.44 -28.31 99.49 0.07 0.44 2.16 9.97 87.40 0.06 0.34 0.00 0.04 0.04 36 N C T 131.96 0.94 15.34 15.24 94.80 57.40 -89.84 3.39 99.41 0.06 0.52 2.61 8.58 88.23 0.06 0.44 0.00 0.03 0.04 37 A C S 26.84 10.85 9.48 22.10 118.80 114.79 -78.40 150.92 93.42 1.12 5.47 15.83 76.76 0.86 4.98 0.27 0.00 0.12 1.20 38 A H H 65.61 3.47 18.03 22.00 91.50 -119.82 -60.75 -36.20 5.89 0.01 94.11 0.28 0.68 5.15 92.95 0.92 0.01 0.00 0.01 39 Y H H 60.38 13.80 15.41 29.61 92.16 53.19 -65.33 -39.24 2.53 0.00 97.47 0.19 0.18 2.06 96.60 0.97 0.00 0.00 0.00 40 R H H 67.91 14.07 15.56 29.72 91.55 53.12 -63.33 -41.32 0.36 0.00 99.64 0.06 0.03 0.21 99.27 0.43 0.00 0.00 0.00 41 K H H 126.33 2.20 22.10 23.43 91.83 49.79 -64.96 -41.11 0.24 0.00 99.76 0.04 0.02 0.14 99.67 0.13 0.00 0.00 0.00 42 Y H H 97.87 6.27 21.37 28.09 92.09 48.87 -65.71 -41.65 0.26 0.00 99.74 0.04 0.02 0.17 99.71 0.07 0.00 0.00 0.00 43 T H H 11.21 19.67 16.30 36.11 92.03 49.51 -64.91 -41.88 0.17 0.00 99.83 0.02 0.01 0.11 99.83 0.04 0.00 0.00 0.00 44 E H H 72.64 10.17 20.29 30.85 91.64 51.89 -62.90 -41.45 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 45 Q H H 101.10 2.25 24.27 24.92 91.88 49.86 -64.61 -41.49 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 46 I H H 38.87 11.87 20.68 33.28 92.00 48.89 -64.66 -42.59 0.09 0.00 99.91 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 47 T H H 12.61 19.92 17.04 36.96 91.72 49.97 -63.81 -42.54 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 48 N H H 86.97 4.37 23.07 27.59 91.52 50.65 -64.31 -40.60 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 49 E H H 102.66 3.19 23.74 26.22 91.78 49.77 -64.79 -41.52 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 50 K H H 34.34 17.51 19.03 36.16 92.10 49.61 -64.92 -41.91 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 51 L H H 37.86 15.46 18.96 34.38 91.46 51.77 -62.47 -41.61 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 52 G H H 37.17 2.34 23.66 24.58 91.16 50.92 -63.37 -41.01 0.21 0.00 99.79 0.01 0.01 0.17 99.78 0.04 0.00 0.00 0.00 53 M H H 52.50 8.73 19.65 29.64 91.83 50.38 -64.84 -41.50 0.22 0.00 99.78 0.01 0.01 0.17 99.69 0.12 0.00 0.00 0.00 54 V H H 11.52 21.43 13.08 34.40 91.87 50.74 -65.17 -39.72 0.53 0.00 99.47 0.03 0.03 0.42 99.04 0.48 0.00 0.00 0.00 55 K H H 133.02 4.38 18.80 24.42 91.41 52.39 -67.57 -30.91 5.70 0.00 94.30 0.11 0.15 5.65 93.53 0.56 0.00 0.00 0.00 56 A H H 80.45 1.64 18.37 18.96 95.25 45.98 -82.32 -23.83 20.68 0.02 79.30 0.59 1.33 18.54 78.86 0.64 0.02 0.01 0.02 57 E C C 62.70 11.24 11.79 24.05 115.95 37.51 -129.50 101.28 99.28 0.17 0.55 75.37 23.08 0.76 0.50 0.07 0.00 0.04 0.19 58 P C S 94.63 5.57 15.09 22.65 94.68 -171.37 -73.71 -17.59 99.74 0.15 0.11 37.66 60.89 1.24 0.04 0.04 0.00 0.05 0.08 59 D C C 75.32 4.67 19.02 24.54 110.59 88.13 -92.69 116.07 97.99 1.46 0.56 62.67 34.24 0.70 0.41 0.12 0.00 0.25 1.62 60 V H H 34.67 19.21 12.03 30.91 93.16 -155.76 -62.91 -36.28 6.19 0.04 93.76 1.46 1.35 3.55 91.05 2.54 0.02 0.02 0.02 61 K H H 128.22 3.64 19.21 23.73 91.55 56.37 -63.11 -41.05 3.75 0.03 96.22 0.60 0.43 2.67 94.05 2.21 0.01 0.01 0.01 62 K H H 102.29 2.97 21.02 23.43 92.00 48.59 -65.64 -40.24 2.09 0.04 97.86 0.64 0.28 1.18 95.27 2.59 0.01 0.03 0.01 63 L H H 8.89 18.77 13.79 33.45 91.79 51.14 -64.01 -43.12 1.22 0.04 98.74 0.42 0.20 0.63 97.54 1.16 0.00 0.02 0.01 64 E H H 38.69 14.38 15.11 30.11 91.79 51.49 -63.40 -41.44 1.55 0.05 98.40 0.44 0.22 0.91 97.14 1.24 0.01 0.03 0.01 65 E H H 138.81 1.25 20.32 19.96 92.12 50.33 -64.98 -39.14 3.10 0.03 96.87 0.39 0.26 2.48 95.19 1.63 0.01 0.02 0.01 66 Q H H 97.91 6.05 17.33 24.30 92.43 49.93 -69.63 -32.85 6.97 0.03 93.00 0.25 0.51 6.54 91.56 1.08 0.03 0.01 0.02 67 L C H 27.16 17.74 10.84 28.31 98.48 43.26 -95.44 2.64 50.00 0.35 49.64 2.87 9.96 35.99 48.82 1.83 0.12 0.09 0.31 68 Q C T 145.54 1.54 18.15 19.50 94.82 -117.22 57.15 41.16 90.01 0.30 9.69 7.89 6.30 76.47 2.71 6.21 0.00 0.13 0.29 69 G C T 45.50 6.65 14.72 22.60 95.18 -46.61 75.16 6.69 88.42 0.20 11.38 2.52 9.41 76.22 1.26 10.32 0.00 0.10 0.17 70 G C T 33.49 9.48 16.43 26.37 99.12 -81.70 83.20 3.80 88.61 0.91 10.48 17.65 28.58 41.85 1.33 9.60 0.00 0.40 0.60 71 Q C C 76.54 7.53 20.79 28.83 111.61 133.79 -84.78 123.48 91.92 3.32 4.77 84.44 5.93 1.00 3.85 0.85 0.00 0.83 3.11 72 I H H 30.36 20.68 14.68 34.83 94.10 -147.36 -62.61 -40.45 1.49 0.00 98.51 0.33 0.19 0.77 98.17 0.55 0.00 0.00 0.00 73 E H H 100.93 6.92 21.68 29.00 91.79 54.48 -63.30 -40.43 0.45 0.00 99.55 0.05 0.02 0.30 99.01 0.62 0.00 0.00 0.00 74 E H H 85.59 4.95 23.06 28.21 91.74 49.03 -65.56 -40.62 0.16 0.00 99.84 0.02 0.01 0.11 99.34 0.54 0.00 0.00 0.00 75 V H H 8.88 20.32 17.48 38.06 91.74 50.30 -64.22 -43.29 0.07 0.00 99.93 0.01 0.00 0.04 99.89 0.06 0.00 0.00 0.00 76 I H H 33.21 16.80 20.34 36.77 91.91 50.01 -63.69 -42.71 0.06 0.00 99.94 0.01 0.00 0.04 99.94 0.02 0.00 0.00 0.00 77 L H H 81.67 4.09 24.28 28.13 91.55 49.60 -63.79 -42.33 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 78 Q H H 63.71 8.65 22.44 31.58 91.83 49.39 -64.85 -41.37 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 79 A H H 8.10 19.79 17.58 37.83 91.87 50.99 -63.93 -41.79 0.20 0.00 99.80 0.01 0.01 0.13 99.83 0.03 0.00 0.00 0.00 80 E H H 87.53 7.67 22.84 30.82 91.64 51.16 -63.25 -41.56 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 81 N H H 82.81 3.49 23.68 26.70 91.86 49.56 -64.96 -40.97 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 82 E H H 43.84 14.13 19.20 33.62 92.22 50.66 -65.05 -41.49 0.29 0.00 99.71 0.02 0.01 0.20 99.72 0.06 0.00 0.00 0.00 83 L H H 46.45 13.10 19.17 32.49 92.05 50.76 -63.99 -40.97 0.27 0.00 99.73 0.02 0.01 0.17 99.73 0.07 0.00 0.00 0.00 84 S H H 55.61 3.11 22.13 24.68 91.68 50.73 -64.15 -41.74 0.60 0.00 99.39 0.04 0.02 0.45 99.40 0.09 0.00 0.00 0.00 85 L H H 60.14 7.20 19.63 27.70 91.88 49.80 -65.02 -41.18 0.64 0.00 99.36 0.04 0.02 0.48 99.37 0.09 0.00 0.00 0.00 86 A H H 20.46 13.98 15.74 30.82 91.82 51.99 -63.16 -41.43 0.26 0.00 99.74 0.03 0.01 0.15 99.71 0.10 0.00 0.00 0.00 87 R H H 119.03 4.30 19.69 24.44 91.78 51.26 -63.88 -40.38 0.42 0.00 99.58 0.03 0.02 0.30 99.25 0.40 0.00 0.00 0.00 88 K H H 111.15 2.91 18.58 21.45 91.86 50.47 -65.12 -39.79 0.92 0.00 99.07 0.05 0.04 0.74 98.11 1.06 0.00 0.00 0.00 89 M H H 57.14 12.02 13.46 26.24 92.46 51.41 -67.52 -33.76 2.55 0.00 97.45 0.12 0.11 2.24 94.52 3.02 0.00 0.00 0.00 90 L H H 85.44 8.83 13.72 23.42 91.78 56.72 -68.39 -25.43 30.05 0.02 69.93 0.42 0.68 30.05 65.23 3.56 0.02 0.01 0.02 91 R C T 181.07 0.93 16.72 16.12 95.32 51.20 -88.65 -7.39 61.10 0.04 38.86 1.01 1.67 58.51 35.94 2.81 0.01 0.01 0.03 92 W C C 105.49 9.37 8.63 19.30 116.71 100.07 -78.98 140.02 94.37 0.67 4.96 52.62 37.59 3.87 4.06 0.84 0.00 0.14 0.87 93 K C C 136.12 3.07 14.57 18.76 112.45 -144.01 -96.99 116.38 98.49 0.70 0.80 95.21 2.42 0.91 0.24 0.42 0.00 0.25 0.55 94 P C T 66.61 11.44 10.35 22.37 95.46 -138.19 -67.03 -18.60 97.35 0.60 2.05 17.78 14.00 65.21 0.19 2.22 0.00 0.32 0.28 95 W C T 151.51 6.71 12.33 19.91 101.88 50.54 -94.85 15.50 96.18 1.45 2.38 17.11 14.45 64.29 0.26 2.50 0.00 0.80 0.59 96 E C C 107.81 4.38 12.16 18.21 117.29 126.30 -86.54 141.76 97.59 1.81 0.60 49.79 46.96 1.06 0.15 0.40 0.00 0.74 0.90 97 P C C 96.94 3.91 11.58 17.19 113.87 -102.95 -65.88 146.25 96.37 2.28 1.35 87.29 5.98 3.05 0.31 1.07 0.00 1.25 1.06 98 L C C 99.69 7.39 8.37 17.05 109.08 -113.45 -77.44 127.00 93.14 4.95 1.91 78.68 10.33 3.55 0.51 1.57 0.00 2.32 3.05 99 V C C 109.78 3.46 9.76 14.69 109.54 -162.22 -96.34 84.11 92.47 5.88 1.65 74.75 14.44 2.93 0.51 1.20 0.00 2.81 3.36 100 E C C 137.62 2.46 10.05 14.10 117.82 84.37 -99.53 143.13 95.07 4.00 0.92 71.46 21.70 2.05 0.27 0.62 0.00 1.92 1.97 101 E C C 153.40 1.48 11.76 14.28 114.55 -102.03 -80.61 135.20 98.93 0.99 0.08 89.12 9.72 0.20 0.03 0.04 0.00 0.45 0.44 102 P C C 68.13 10.18 7.22 17.97 116.70 -107.46 -65.38 150.16 99.85 0.13 0.02 98.63 1.19 0.07 0.01 0.01 0.00 0.05 0.05 103 P C C 82.29 3.40 10.61 15.75 114.73 -102.87 -64.48 150.76 99.40 0.24 0.36 97.85 1.05 0.60 0.08 0.18 0.00 0.08 0.17 104 A C T 95.32 1.14 10.48 12.20 108.17 -99.74 -66.70 142.13 97.35 0.30 2.34 10.45 21.89 64.74 0.22 2.35 0.00 0.14 0.21 105 N C T 123.25 2.07 10.03 13.24 98.23 14.95 25.21 40.73 96.60 0.61 2.79 21.85 13.95 60.53 0.39 2.65 0.00 0.30 0.33 106 Q C C 104.52 5.37 8.83 16.01 99.71 152.10 -78.46 -14.43 91.26 1.48 7.26 42.86 18.39 28.88 0.87 7.48 0.00 0.65 0.87 107 W C C 145.71 6.79 8.48 16.35 108.66 50.82 -94.54 95.94 92.71 1.95 5.34 45.43 17.04 29.57 0.72 5.25 0.00 0.89 1.10 108 K C C 145.63 2.06 10.70 14.28 117.25 142.34 -99.66 137.89 93.42 3.09 3.49 63.68 23.23 6.01 0.77 2.90 0.00 1.24 2.17 109 W C C 173.39 4.02 7.30 13.22 114.78 -108.06 -82.04 140.42 97.66 1.48 0.86 49.66 39.65 8.34 0.19 0.71 0.00 0.66 0.80 110 P C C 106.45 2.14 8.91 12.38 107.82 -11.10 -72.75 128.90 99.12 0.47 0.41 88.27 3.87 7.05 0.09 0.25 0.00 0.25 0.22 111 I C C 117.08 4.36 9.59 15.53 107.86 -131.99 -86.51 97.63 99.91 0.08 0.01 99.81 0.10 0.04 0.00 0.00 0.00 0.03 0.01