# 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 K C C 123.84 5.56 15.06 22.12 118.96 -160.89 -99.26 136.08 99.91 0.08 0.01 99.87 0.06 0.02 0.00 0.00 0.00 0.04 0.01 1 T C C 87.21 6.02 13.15 20.96 117.57 -145.84 -100.74 131.80 89.17 8.99 1.83 87.69 1.12 1.29 0.91 0.60 0.00 5.46 2.93 2 H C C 79.88 10.99 11.53 23.42 119.26 -166.71 -109.47 136.15 79.84 16.62 3.54 66.13 9.13 3.85 1.64 1.97 0.01 12.26 5.01 3 S C C 63.32 6.56 14.96 22.90 120.73 -160.51 -115.12 139.32 74.90 21.10 4.00 56.13 13.53 4.89 1.64 2.52 0.01 16.67 4.61 4 Y C C 78.10 14.16 11.18 25.20 116.17 -167.73 -116.14 117.81 51.64 40.83 7.54 25.91 15.10 11.00 3.10 4.18 0.80 20.79 19.11 5 R C T 152.51 5.64 14.53 21.45 97.67 -30.97 44.53 45.92 88.33 4.04 7.63 9.89 15.93 62.47 2.60 4.85 0.04 2.65 1.58 6 G C T 56.17 2.85 15.09 18.61 98.57 -49.47 82.98 0.68 91.88 2.25 5.87 9.52 21.28 61.51 1.49 3.94 0.01 1.51 0.74 7 V C C 43.47 13.04 10.49 24.34 120.77 115.62 -101.89 138.06 54.21 43.25 2.54 33.84 18.82 2.31 1.89 0.89 0.06 19.38 22.82 8 D C C 75.60 3.72 19.21 22.97 114.28 -119.27 -78.74 138.89 83.71 14.80 1.49 81.59 2.05 0.64 1.26 0.30 0.00 10.67 3.49 9 L H H 51.37 16.72 11.46 27.77 93.23 -133.34 -60.23 -38.12 4.08 0.04 95.88 1.03 0.50 2.43 91.59 4.41 0.01 0.03 0.01 10 E H H 123.17 2.67 17.72 20.83 91.77 55.48 -64.11 -39.12 2.17 0.02 97.81 0.24 0.17 1.63 92.41 5.53 0.00 0.01 0.00 11 K H H 108.10 3.33 18.23 21.78 92.27 48.93 -67.12 -38.50 1.22 0.01 98.77 0.13 0.09 0.90 93.37 5.50 0.00 0.01 0.00 12 L H H 13.39 20.03 11.97 31.91 91.76 52.92 -64.73 -39.95 1.96 0.01 98.04 0.21 0.14 1.42 91.89 6.34 0.00 0.00 0.00 13 L H H 64.22 12.62 15.52 28.56 91.24 56.77 -68.22 -24.21 33.03 0.03 66.94 0.53 0.70 32.96 61.26 4.49 0.02 0.01 0.03 14 E C T 146.52 1.28 19.13 19.11 94.29 55.76 -86.42 -6.64 64.24 0.03 35.73 0.89 1.55 62.79 31.66 3.05 0.00 0.01 0.03 15 M C S 40.56 15.07 9.04 24.37 119.95 103.97 -80.23 148.40 99.14 0.41 0.46 20.13 78.40 0.58 0.40 0.06 0.00 0.08 0.36 16 S C C 58.06 2.47 20.29 21.66 119.16 -107.63 -71.82 158.98 98.94 0.87 0.20 98.71 0.32 0.07 0.13 0.01 0.00 0.16 0.59 17 T H H 61.38 13.68 12.48 26.26 91.60 -106.78 -58.54 -38.59 1.42 0.00 98.58 0.27 0.18 0.79 98.06 0.69 0.00 0.00 0.00 18 E H H 125.25 2.43 18.54 21.04 91.76 53.90 -63.62 -39.97 0.54 0.00 99.46 0.04 0.03 0.39 98.86 0.67 0.00 0.00 0.00 19 D H H 62.72 6.05 18.29 25.33 91.84 49.03 -65.87 -39.72 0.25 0.00 99.75 0.03 0.02 0.17 98.99 0.80 0.00 0.00 0.00 20 F H H 19.83 19.98 14.59 34.55 91.92 51.07 -64.06 -42.68 0.17 0.00 99.83 0.01 0.01 0.11 99.54 0.32 0.00 0.00 0.00 21 V H H 46.29 12.58 18.58 31.48 91.66 50.57 -64.84 -39.24 0.86 0.00 99.14 0.03 0.02 0.79 98.18 0.97 0.00 0.00 0.00 22 K H H 126.34 3.01 22.85 25.57 91.93 50.87 -67.27 -37.01 7.23 0.00 92.77 0.07 0.11 7.84 90.68 1.29 0.00 0.00 0.00 23 L H H 36.31 13.34 19.47 33.24 93.95 49.40 -73.97 -37.48 12.10 0.01 87.89 0.35 0.62 11.34 86.36 1.31 0.02 0.00 0.01 24 A H H 13.85 18.76 18.57 37.22 92.75 55.68 -62.57 -43.80 10.38 0.11 89.51 3.37 1.68 5.24 83.62 5.97 0.02 0.05 0.06 25 P H H 50.82 8.81 21.50 30.81 92.04 50.40 -64.43 -39.53 9.18 0.09 90.73 3.21 0.80 4.75 85.66 5.48 0.01 0.05 0.04 26 A H H 40.76 5.58 21.60 27.88 92.10 51.37 -64.30 -41.13 3.42 0.04 96.54 1.27 0.41 1.65 93.01 3.62 0.01 0.02 0.01 27 R H H 76.21 10.98 20.56 31.85 92.46 49.79 -65.59 -40.64 2.24 0.04 97.72 0.91 0.28 1.04 96.47 1.27 0.00 0.02 0.01 28 V H H 28.79 14.54 17.12 32.31 92.09 50.77 -64.16 -41.63 1.81 0.04 98.16 0.67 0.19 0.87 97.51 0.73 0.00 0.02 0.01 29 R H H 122.81 4.59 20.14 24.89 91.77 50.95 -63.84 -40.97 2.00 0.04 97.96 0.63 0.20 1.06 97.31 0.75 0.01 0.03 0.01 30 R H H 112.93 4.07 19.01 23.40 92.27 50.51 -65.71 -40.29 3.26 0.08 96.66 0.91 0.35 1.91 95.63 1.13 0.01 0.05 0.02 31 R H H 69.46 10.39 14.64 26.23 92.58 50.86 -66.10 -39.49 5.53 0.19 94.28 1.74 0.68 3.13 92.66 1.59 0.02 0.12 0.05 32 F H H 91.17 8.46 13.44 23.07 93.09 51.09 -67.54 -36.10 9.04 0.32 90.63 3.07 1.13 4.96 87.98 2.53 0.03 0.19 0.10 33 A H H 79.38 2.27 14.15 17.15 93.12 56.93 -69.80 -24.54 21.64 0.38 77.97 3.92 2.44 15.43 75.11 2.65 0.07 0.19 0.18 34 R C T 147.07 3.26 12.28 16.77 96.68 53.94 -86.64 2.21 75.66 0.21 24.13 2.67 4.34 66.89 23.41 2.43 0.01 0.08 0.17 35 G C T 58.96 1.55 14.28 15.99 97.74 -101.65 83.58 9.30 94.80 0.14 5.06 8.25 6.63 80.03 3.95 1.00 0.00 0.06 0.08 36 M C C 73.11 10.93 8.66 20.35 115.11 135.99 -89.71 135.23 92.55 1.43 6.02 67.86 15.83 8.70 3.32 2.64 0.00 0.61 1.04 37 T C C 101.96 2.84 15.60 19.48 110.13 -157.71 -95.60 107.49 91.31 1.83 6.86 59.34 19.87 12.02 3.58 3.33 0.00 0.91 0.94 38 S C C 56.78 10.32 13.72 24.58 115.47 139.68 -95.07 132.55 88.75 2.24 9.01 52.62 29.25 6.86 6.01 2.95 0.00 0.95 1.36 39 K C C 114.46 7.18 18.17 26.26 117.77 -144.10 -94.26 136.15 87.02 1.28 11.70 62.48 20.15 3.85 10.62 1.68 0.00 0.58 0.64 40 P C C 39.53 17.34 14.79 31.35 108.43 -105.36 -67.59 136.31 72.19 1.80 26.02 61.15 3.98 6.94 22.74 3.48 0.00 0.91 0.80 41 A C H 47.36 11.16 18.28 29.61 98.68 -137.46 -69.72 -26.87 50.50 1.25 48.25 34.20 6.68 10.12 43.43 4.41 0.01 0.58 0.57 42 G H H 26.50 6.57 20.43 27.96 95.86 61.43 -62.57 -37.55 32.68 0.84 66.48 22.11 4.59 7.01 61.99 3.57 0.01 0.40 0.32 43 F H H 27.90 17.84 17.96 35.60 92.72 57.98 -65.60 -41.09 7.38 0.17 92.46 4.49 1.09 2.29 90.37 1.61 0.01 0.08 0.05 44 M H H 33.42 17.71 17.81 35.08 92.01 52.28 -63.78 -41.50 1.83 0.03 98.14 0.88 0.24 0.74 97.47 0.65 0.00 0.01 0.01 45 K H H 120.66 2.66 23.60 25.62 91.45 50.67 -63.82 -41.51 0.71 0.01 99.28 0.27 0.07 0.32 99.06 0.27 0.00 0.00 0.00 46 K H H 92.46 7.05 21.79 29.22 91.73 49.30 -65.04 -40.56 0.48 0.00 99.51 0.15 0.04 0.24 99.42 0.15 0.00 0.00 0.00 47 L H H 8.25 22.53 15.34 37.88 91.96 50.33 -64.18 -42.18 0.34 0.00 99.65 0.08 0.02 0.18 99.61 0.10 0.00 0.00 0.00 48 R H H 108.75 8.13 21.16 29.73 91.69 51.58 -62.97 -41.67 0.36 0.00 99.64 0.07 0.02 0.21 99.62 0.08 0.00 0.00 0.00 49 A H H 56.72 2.28 22.45 23.24 91.64 50.21 -64.22 -41.59 0.57 0.00 99.43 0.09 0.03 0.37 99.40 0.11 0.00 0.00 0.00 50 A H H 16.53 13.02 15.54 30.07 91.88 50.79 -64.87 -40.52 0.85 0.00 99.15 0.11 0.05 0.56 99.03 0.25 0.00 0.00 0.00 51 K H H 76.24 14.57 15.05 29.19 91.72 53.01 -63.88 -38.00 2.15 0.00 97.84 0.24 0.13 1.58 97.20 0.85 0.00 0.00 0.00 52 L H H 126.03 1.60 18.40 19.44 92.18 52.35 -69.06 -29.26 10.24 0.02 89.73 0.44 0.52 9.08 88.98 0.95 0.02 0.01 0.01 53 A H H 80.44 2.07 16.56 18.39 95.48 50.58 -87.70 -8.39 34.54 0.09 65.37 1.89 2.79 28.60 65.49 1.12 0.03 0.02 0.07 54 A C S 23.19 16.86 6.53 21.96 119.60 104.09 -77.34 149.02 99.69 0.19 0.12 31.63 67.83 0.23 0.08 0.02 0.00 0.04 0.17 55 P C C 77.95 2.73 14.24 17.63 115.67 -104.07 -65.21 153.83 99.55 0.24 0.22 98.11 1.02 0.43 0.06 0.08 0.00 0.06 0.24 56 E C T 161.25 1.33 11.29 13.63 105.51 -85.16 -62.14 132.39 98.59 0.08 1.33 0.80 4.89 92.88 0.05 1.29 0.00 0.04 0.05 57 N C T 143.41 0.61 12.73 12.26 95.92 20.02 60.20 8.44 98.53 0.07 1.41 1.06 4.64 92.70 0.05 1.48 0.00 0.04 0.02 58 E C C 91.10 6.98 9.97 18.85 120.11 113.37 -93.46 145.61 96.01 2.66 1.33 56.48 37.11 1.50 0.19 1.29 0.00 0.71 2.72 59 K C C 148.01 2.51 16.73 20.30 115.10 -124.76 -89.96 135.79 98.71 1.21 0.08 93.10 5.54 0.19 0.02 0.05 0.00 0.56 0.54 60 P C C 34.95 19.35 10.57 29.05 116.74 -108.66 -66.37 148.34 98.01 1.83 0.16 94.70 3.15 0.39 0.03 0.16 0.00 0.98 0.60 61 A C C 57.35 6.09 21.71 28.02 117.20 -115.00 -78.65 147.47 95.30 4.63 0.07 81.66 13.51 0.29 0.01 0.07 0.00 3.88 0.59 62 P C C 60.37 13.11 18.62 31.56 115.39 -103.99 -68.15 143.99 81.67 18.25 0.08 73.67 6.66 0.27 0.01 0.07 0.00 18.56 0.75 63 V E E 16.55 21.46 15.83 37.39 119.11 -147.63 -106.25 131.63 14.87 85.08 0.05 14.33 0.50 0.05 0.03 0.03 0.00 79.41 5.65 64 R E E 116.08 8.13 24.58 33.37 116.89 -146.27 -97.75 130.94 16.06 83.89 0.05 15.34 0.75 0.07 0.02 0.03 0.00 81.57 2.22 65 T C C 14.44 22.93 14.74 37.14 129.13 -169.70 -125.30 148.55 62.42 37.05 0.52 56.36 4.09 0.77 0.11 0.40 0.00 36.71 1.56 66 H C C 81.53 9.39 23.15 32.96 102.96 -159.24 -96.91 -9.30 81.00 16.51 2.49 41.96 31.53 8.34 0.36 2.28 0.00 13.73 1.79 67 M C C 38.50 18.40 17.50 35.03 106.76 62.54 -95.75 78.29 82.75 7.69 9.56 51.33 18.29 12.59 1.32 9.19 0.00 5.60 1.67 68 R C T 103.66 12.84 18.76 31.40 95.51 135.52 -71.62 -21.77 77.58 5.25 17.17 19.50 17.84 40.71 1.58 15.51 0.01 3.63 1.21 69 N C T 91.33 7.04 22.01 29.48 96.70 48.53 -91.61 10.80 78.97 4.27 16.77 19.47 19.47 40.44 1.38 15.27 0.00 3.11 0.85 70 M C C 26.66 20.45 16.03 36.08 124.07 110.74 -103.44 146.65 77.17 13.39 9.44 58.15 14.67 4.43 1.35 8.41 0.00 11.29 1.69 71 I E E 56.51 11.67 25.18 37.21 116.55 -134.00 -100.21 129.43 46.35 52.44 1.21 38.23 6.28 0.94 0.59 0.77 0.01 41.20 11.97 72 I E C 14.80 23.61 17.91 41.64 114.68 -151.75 -99.22 124.46 41.15 58.68 0.17 38.45 2.58 0.15 0.11 0.08 0.00 36.71 21.92 73 V C C 27.75 14.19 21.79 36.47 116.98 -156.90 -100.19 125.95 98.95 1.03 0.02 98.70 0.54 0.02 0.01 0.01 0.00 0.63 0.09 74 P H G 57.21 12.77 18.23 31.55 91.39 -128.25 -59.34 -32.64 10.94 0.14 88.92 1.35 1.00 7.29 1.96 88.27 0.00 0.12 0.01 75 E H G 110.70 6.53 21.77 29.30 89.86 64.92 -67.47 -18.46 9.78 0.10 90.12 0.38 0.64 8.09 1.44 89.36 0.00 0.08 0.01 76 M H G 9.28 22.86 15.47 39.01 93.98 56.28 -91.26 -6.52 9.70 0.12 90.18 1.04 0.90 6.27 1.20 90.48 0.00 0.08 0.01 77 I C T 54.02 16.27 17.01 33.43 112.16 113.42 -63.30 131.52 96.09 1.06 2.85 0.65 1.52 95.17 0.42 1.21 0.00 0.37 0.66 78 G C T 39.72 5.38 22.89 29.51 94.94 22.94 86.30 -4.81 99.31 0.30 0.39 0.36 1.99 97.15 0.02 0.22 0.00 0.23 0.02 79 S C C 15.72 18.12 17.65 36.21 121.23 127.46 -79.80 152.60 94.54 5.43 0.04 85.20 8.77 0.17 0.00 0.03 0.00 5.64 0.18 80 V E E 40.83 12.39 25.62 38.65 117.44 -128.83 -103.94 129.27 1.22 98.78 0.00 1.24 0.04 0.00 0.00 0.00 0.00 98.43 0.29 81 V E E 3.06 25.89 20.32 46.82 122.48 -168.09 -117.00 133.84 0.16 99.84 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.01 82 G E E 6.18 16.50 25.95 42.81 122.11 -152.04 -105.67 142.75 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 83 I E E 9.69 21.62 21.62 43.27 120.65 -155.40 -115.46 130.02 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.59 0.01 84 Y E E 43.00 15.18 18.98 34.83 114.44 -156.13 -105.65 121.09 7.44 92.53 0.03 6.13 0.81 0.11 0.01 0.02 0.00 92.69 0.23 85 N E E 64.82 8.89 18.18 28.41 103.45 175.96 -111.63 35.35 44.83 54.24 0.93 24.40 12.93 8.87 0.09 0.95 0.00 51.93 0.83 86 G C T 41.39 7.49 15.42 23.43 99.75 -92.24 76.16 -20.34 98.46 0.47 1.07 2.80 34.40 61.20 0.03 1.15 0.00 0.32 0.10 87 K C T 155.59 1.68 16.09 17.80 103.31 29.11 -101.60 -19.00 98.61 0.55 0.84 2.67 40.06 55.94 0.03 0.83 0.00 0.37 0.10 88 A E E 63.83 3.05 17.84 21.41 131.42 29.49 -134.20 153.39 31.83 68.03 0.14 20.18 12.12 1.10 0.03 0.14 0.00 64.54 1.89 89 F E E 81.18 17.13 11.23 27.43 118.69 -128.73 -97.10 135.17 15.66 84.32 0.02 13.92 1.11 0.11 0.01 0.02 0.00 84.31 0.52 90 N E E 66.94 7.91 19.71 28.50 126.76 -173.43 -126.21 144.69 10.96 89.03 0.01 9.21 0.84 0.06 0.00 0.01 0.00 89.79 0.08 91 Q E E 102.93 9.49 18.17 28.58 117.56 -126.07 -89.31 134.34 3.94 96.06 0.00 3.61 0.12 0.01 0.00 0.00 0.00 96.22 0.03 92 V E E 21.20 18.31 15.21 33.75 127.11 -173.72 -126.23 141.93 0.93 99.07 0.00 0.96 0.01 0.00 0.00 0.00 0.00 99.00 0.02 93 E E E 105.89 5.33 24.64 30.42 115.48 -129.97 -87.77 132.06 0.92 99.08 0.00 0.95 0.01 0.00 0.00 0.00 0.00 98.97 0.08 94 I E E 10.54 24.65 11.30 36.26 114.01 -136.95 -90.30 126.42 26.07 73.92 0.01 25.89 0.30 0.01 0.00 0.00 0.00 73.12 0.68 95 R C C 102.68 5.03 22.84 27.95 128.81 -175.43 -122.27 151.95 99.10 0.81 0.09 98.47 0.82 0.05 0.02 0.04 0.00 0.55 0.06 96 P H G 77.23 10.64 14.42 25.72 91.42 -105.05 -58.27 -32.32 7.17 0.05 92.78 0.45 0.55 4.86 0.69 93.42 0.00 0.04 0.00 97 E H G 139.82 2.08 19.36 21.66 89.67 62.06 -68.79 -17.14 6.46 0.03 93.50 0.27 0.38 4.67 0.66 93.99 0.00 0.02 0.00 98 M H G 25.44 18.67 13.14 32.18 94.31 56.09 -92.23 -5.39 7.86 0.09 92.05 1.20 0.91 4.11 0.85 92.86 0.00 0.06 0.00 99 L C T 58.66 15.62 14.21 30.02 112.99 116.09 -64.01 134.85 95.25 2.49 2.26 6.02 5.07 84.45 0.60 1.34 0.00 1.19 1.32 100 G C T 42.49 6.25 20.86 28.13 94.62 20.49 83.55 -3.88 97.66 0.95 1.39 3.75 7.21 86.73 0.26 1.12 0.00 0.67 0.26 101 H C C 65.32 12.67 17.64 30.70 122.23 124.28 -88.76 152.79 92.27 4.91 2.83 74.12 14.82 2.98 1.13 1.66 0.00 2.23 3.06 102 Y C C 86.65 11.09 21.78 32.86 117.88 -112.52 -85.98 142.80 56.96 33.10 9.94 37.85 9.09 6.00 4.55 4.70 0.04 8.02 29.76 103 L C G 24.97 22.46 15.08 36.75 96.08 -113.59 -63.88 -28.53 50.53 2.77 46.70 7.13 8.21 34.85 7.60 39.03 0.10 1.76 1.31 104 G H G 32.35 11.40 19.54 30.68 94.95 58.14 -57.87 -17.65 47.01 1.33 51.66 6.42 7.18 32.95 8.26 43.74 0.04 0.79 0.63 105 E H G 102.73 6.87 20.38 27.66 95.20 68.77 -76.56 -18.50 45.68 2.63 51.69 18.53 11.41 17.18 9.17 41.17 0.04 1.45 1.05 106 F C C 60.32 16.90 14.35 30.39 101.35 58.53 -92.41 1.13 62.27 11.01 26.72 34.14 16.59 12.80 8.66 17.13 0.12 5.69 4.87 107 S C C 49.90 12.13 15.86 28.03 116.98 99.46 -99.07 135.86 70.97 15.51 13.52 49.45 14.02 7.59 5.57 7.97 0.04 10.83 4.54 108 I C C 82.76 10.99 13.82 25.36 113.89 -143.93 -94.95 123.59 71.24 20.98 7.78 55.77 9.53 5.10 3.68 4.23 0.01 16.19 5.48 109 T C C 85.95 6.11 14.41 21.85 108.14 -175.24 -100.53 36.69 77.76 18.56 3.68 60.16 12.63 4.37 1.62 2.19 0.01 14.30 4.71 110 Y C C 118.34 8.79 10.97 20.92 119.70 90.12 -111.21 137.09 83.06 15.74 1.20 53.91 27.56 2.48 0.48 0.75 0.00 10.31 4.50 111 T C C 97.91 2.86 14.07 18.45 116.86 -143.92 -100.94 131.89 91.83 8.01 0.16 72.64 18.94 0.56 0.05 0.11 0.00 6.62 1.08 112 P C C 79.71 8.49 9.84 19.58 113.44 -109.51 -66.85 145.77 87.93 10.44 1.63 73.87 10.01 3.70 0.43 1.23 0.00 8.46 2.28 113 V C C 95.64 5.20 9.90 16.96 114.03 -130.02 -91.59 133.16 84.11 13.68 2.21 66.10 12.58 4.99 0.60 1.76 0.00 10.02 3.95 114 R C C 172.58 2.40 10.35 14.69 115.29 -143.43 -98.23 129.48 80.90 17.09 2.01 68.12 8.63 3.26 0.69 1.41 0.00 13.19 4.71 115 H C C 138.30 3.75 7.97 13.73 114.57 -163.45 -102.46 128.75 89.54 9.66 0.80 86.72 1.41 1.86 0.29 0.33 0.00 7.23 2.16 116 G C C 56.26 2.06 12.30 15.28 110.24 -64.39 87.37 -32.66 99.89 0.10 0.01 99.70 0.16 0.07 0.00 0.00 0.00 0.06 0.01