# 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 99.23 8.44 12.55 21.96 118.26 -166.06 -99.30 137.10 99.82 0.16 0.01 99.77 0.09 0.04 0.00 0.00 0.00 0.08 0.02 1 N C C 123.13 2.22 13.81 17.02 107.84 -128.34 -88.13 106.16 97.35 2.17 0.48 94.68 1.52 1.33 0.25 0.13 0.00 0.85 1.23 2 A C C 41.50 13.10 8.10 21.07 118.06 -138.39 -81.77 144.62 98.41 0.58 1.01 84.04 13.26 1.09 0.79 0.24 0.00 0.23 0.35 3 P C C 56.73 6.67 12.46 21.09 113.78 -104.56 -65.47 150.33 92.14 0.41 7.45 86.21 3.02 3.61 4.93 1.81 0.00 0.17 0.26 4 E H G 140.28 2.60 14.06 17.83 94.98 -107.70 -62.91 -30.92 39.15 0.61 60.24 12.48 7.17 18.56 25.44 35.71 0.01 0.32 0.31 5 R H G 127.06 6.79 13.45 21.37 94.45 61.43 -70.04 -20.01 33.18 0.87 65.94 6.67 5.67 19.37 28.76 38.59 0.07 0.49 0.37 6 Y H G 72.40 14.34 12.17 26.33 97.39 54.93 -89.27 -3.19 28.00 2.93 69.07 10.39 5.76 12.04 29.06 40.02 0.07 1.97 0.71 7 E C C 91.68 9.21 15.08 25.14 100.46 81.36 -80.59 1.27 45.69 11.34 42.97 25.44 9.65 11.18 25.30 17.65 0.21 8.19 2.37 8 R C C 123.98 6.83 17.37 25.05 116.91 89.81 -107.36 131.61 47.20 22.83 29.97 24.29 11.13 13.59 15.29 13.88 0.30 18.80 2.71 9 F C E 63.15 15.86 13.77 29.35 119.36 -161.13 -106.18 130.75 43.48 39.51 17.02 29.38 8.38 6.99 9.74 7.62 0.13 33.97 3.80 10 V E E 74.96 8.00 18.31 27.30 117.17 -159.36 -107.50 124.90 46.16 49.30 4.54 34.85 8.18 2.56 3.55 1.89 0.05 39.93 8.99 11 V C C 40.97 15.08 11.76 27.16 118.59 -162.60 -105.25 128.56 77.91 21.58 0.51 61.79 14.80 1.01 0.22 0.31 0.00 19.97 1.89 12 P C C 69.92 5.36 14.44 21.26 114.66 -112.75 -68.78 153.12 85.46 10.77 3.77 62.26 11.21 11.75 0.97 2.97 0.00 8.85 1.99 13 E C T 154.12 2.01 12.55 15.98 107.76 -74.67 -64.00 124.88 93.94 1.78 4.29 3.88 10.09 79.75 0.54 3.87 0.00 1.21 0.65 14 G C T 58.90 1.78 14.04 15.83 98.22 13.92 86.09 -4.50 95.02 1.51 3.46 6.11 11.52 76.99 0.34 3.51 0.00 1.14 0.38 15 T C C 59.92 9.95 10.74 21.85 119.66 113.69 -97.27 139.93 82.75 15.73 1.52 65.16 14.32 2.87 0.46 1.24 0.00 10.73 5.22 16 K C C 116.92 7.16 16.03 24.57 119.51 -145.75 -101.78 137.25 75.46 23.41 1.12 66.51 6.13 1.73 0.40 0.72 0.00 21.44 3.06 17 K C C 97.36 11.13 18.24 29.16 102.10 -137.00 -83.96 -10.21 66.09 33.13 0.78 51.05 12.83 1.49 0.24 0.56 0.00 31.46 2.36 18 V E E 17.71 22.67 12.22 34.20 122.79 -27.69 -112.70 135.97 45.58 54.12 0.30 40.95 3.27 0.42 0.10 0.17 0.00 54.40 0.68 19 S E E 52.10 5.65 23.85 29.73 126.35 -166.04 -119.82 148.94 17.82 82.05 0.13 16.26 1.03 0.17 0.04 0.07 0.00 82.09 0.34 20 Y E E 73.61 19.86 12.85 31.43 126.89 -160.53 -124.31 139.03 6.35 93.59 0.05 5.67 0.50 0.06 0.02 0.02 0.00 93.44 0.28 21 D E E 78.29 4.60 20.81 26.41 127.81 -178.00 -131.67 144.82 3.72 96.25 0.04 3.38 0.23 0.04 0.01 0.01 0.00 96.10 0.23 22 R E E 137.25 7.76 15.38 24.66 115.77 -115.18 -80.12 136.95 17.17 82.74 0.09 15.85 1.07 0.14 0.03 0.05 0.00 81.41 1.44 23 D C C 34.19 14.78 9.29 24.42 109.39 -122.34 -80.93 119.54 86.56 13.36 0.08 84.46 1.72 0.23 0.02 0.05 0.00 12.88 0.64 24 T C S 115.27 1.33 14.00 15.80 93.51 -160.16 -76.07 -18.69 98.94 0.79 0.28 5.96 69.32 23.76 0.03 0.22 0.00 0.57 0.14 25 K C S 150.78 1.63 14.44 16.08 97.18 50.78 -83.28 -27.00 99.03 0.71 0.26 2.00 75.59 21.63 0.02 0.17 0.00 0.46 0.13 26 I C S 51.53 12.40 9.83 22.88 114.80 36.37 -125.02 99.58 80.97 18.83 0.20 29.13 51.71 1.79 0.03 0.19 0.00 14.99 2.16 27 I C T 106.58 4.39 17.34 22.83 100.35 -151.22 -67.15 -4.19 80.74 18.74 0.53 3.51 11.81 67.17 0.03 0.53 0.00 16.05 0.90 28 N C T 70.44 10.98 17.58 28.97 96.39 32.45 -88.82 17.32 83.15 16.51 0.34 3.17 14.60 65.62 0.01 0.38 0.00 15.96 0.25 29 A E E 14.60 15.12 18.54 34.86 127.88 104.09 -116.58 147.99 32.91 67.02 0.07 27.30 4.36 0.33 0.01 0.07 0.00 67.43 0.50 30 A E E 6.19 19.82 19.82 40.12 133.68 -174.90 -133.20 153.92 1.58 98.42 0.00 1.39 0.07 0.00 0.00 0.00 0.00 98.41 0.13 31 S E E 21.23 13.66 25.07 39.37 124.08 -147.11 -117.42 137.93 0.37 99.63 0.00 0.30 0.02 0.00 0.00 0.00 0.00 99.67 0.01 32 F E E 7.40 23.88 19.50 43.53 126.60 -171.08 -124.94 138.44 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.84 0.00 33 T E E 32.89 11.05 26.14 38.11 119.04 -156.00 -110.01 128.65 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.70 0.01 34 V E E 6.36 23.53 16.16 40.21 118.21 -165.14 -110.80 126.67 2.85 97.14 0.01 2.83 0.06 0.00 0.00 0.00 0.00 96.92 0.19 35 E E E 85.27 7.48 22.34 30.05 114.72 -158.17 -93.31 140.52 49.53 49.88 0.59 16.65 29.64 3.57 0.06 0.45 0.00 49.18 0.44 36 R C S 136.47 5.33 21.99 27.53 100.79 3.12 57.04 59.09 85.65 13.20 1.16 12.97 64.61 7.74 0.15 0.90 0.00 12.64 0.98 37 E C C 57.72 18.53 13.17 30.26 117.31 130.31 -97.48 133.72 90.43 4.79 4.77 71.78 13.79 5.02 1.59 3.16 0.00 3.42 1.24 38 D C C 72.45 7.68 19.38 27.53 114.55 -152.67 -106.85 129.86 90.12 1.54 8.34 76.62 8.02 5.27 6.44 1.92 0.00 0.62 1.11 39 H C H 101.37 11.92 16.74 28.32 95.39 -107.69 -72.14 -14.14 52.65 0.55 46.80 14.19 18.04 20.41 44.57 2.22 0.04 0.18 0.35 40 T H H 65.05 6.52 22.30 28.98 93.68 67.89 -68.51 -41.64 25.79 0.28 73.93 6.44 6.45 13.88 71.31 1.56 0.08 0.09 0.19 41 I H H 20.90 19.82 20.63 39.54 92.69 49.26 -65.29 -42.32 5.42 0.04 94.55 1.16 0.92 3.28 93.84 0.76 0.02 0.01 0.02 42 G H H 2.89 23.34 18.92 42.19 90.96 52.51 -63.05 -42.06 2.52 0.02 97.47 0.63 0.35 1.40 97.13 0.46 0.01 0.00 0.01 43 N H H 68.53 6.90 25.64 33.04 91.42 51.56 -64.20 -40.75 0.83 0.00 99.17 0.23 0.09 0.40 99.13 0.15 0.00 0.00 0.00 44 I H H 41.20 11.36 24.58 36.47 91.49 50.19 -64.08 -42.81 0.21 0.00 99.78 0.03 0.01 0.11 99.80 0.04 0.00 0.00 0.00 45 V H H 1.85 26.62 20.97 47.78 91.44 49.13 -63.99 -43.51 0.09 0.00 99.91 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 46 R H H 62.47 17.96 22.81 39.10 91.09 51.29 -61.85 -42.69 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 47 M H H 84.77 4.69 25.84 30.49 91.56 49.91 -64.48 -41.83 0.17 0.00 99.82 0.01 0.01 0.12 99.79 0.07 0.00 0.00 0.00 48 Q H H 38.20 13.62 21.99 35.74 92.11 49.67 -65.35 -41.51 0.52 0.00 99.48 0.02 0.02 0.42 99.28 0.26 0.00 0.00 0.00 49 L H H 3.79 25.53 15.63 41.50 91.54 50.47 -64.56 -40.22 2.63 0.00 97.36 0.08 0.10 2.47 95.83 1.50 0.01 0.00 0.00 50 H H H 91.17 10.91 18.97 30.06 91.37 53.55 -68.03 -26.21 30.53 0.03 69.44 0.53 0.61 30.22 66.77 1.83 0.01 0.01 0.02 51 R C T 158.33 2.56 20.74 23.29 92.81 56.79 -81.57 -12.13 67.64 0.09 32.28 1.46 2.10 63.61 30.89 1.83 0.01 0.03 0.06 52 D C C 27.15 19.07 9.52 27.87 112.12 98.20 -83.73 124.83 97.65 1.51 0.84 52.61 43.98 0.99 0.66 0.20 0.00 0.43 1.13 53 E C T 157.78 1.24 19.44 20.17 91.69 -145.39 -68.24 -18.94 99.50 0.06 0.44 0.33 4.81 94.50 0.04 0.27 0.00 0.03 0.02 54 N C T 52.44 13.51 16.09 30.10 92.80 60.66 -84.88 -7.70 99.78 0.09 0.13 0.57 4.33 94.92 0.01 0.10 0.00 0.07 0.01 55 V E E 8.07 24.65 11.50 36.20 114.58 90.89 -90.95 123.22 6.34 93.66 0.01 5.77 0.40 0.01 0.00 0.00 0.00 93.12 0.69 56 L E E 71.72 7.72 23.59 32.14 99.29 176.87 -92.27 -33.78 8.52 91.47 0.01 5.34 2.56 0.06 0.00 0.00 0.00 91.98 0.05 57 F E E 62.70 10.13 25.41 36.31 142.14 1.84 -157.43 150.99 0.80 99.19 0.00 0.61 0.08 0.01 0.00 0.00 0.00 99.29 0.01 58 A E E 13.11 23.87 16.58 39.86 133.03 -172.98 -139.00 144.10 0.68 99.32 0.00 0.62 0.03 0.00 0.00 0.00 0.00 99.34 0.01 59 G E E 13.25 12.41 24.78 37.98 143.64 158.40 -157.40 172.06 0.77 99.22 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.26 0.01 60 Y E E 49.40 20.03 17.80 36.97 133.36 -140.74 -139.49 148.36 2.00 97.99 0.00 1.85 0.08 0.00 0.00 0.00 0.00 98.01 0.06 61 Q E E 85.50 8.96 21.13 30.51 120.45 -153.79 -114.33 130.95 13.76 86.23 0.02 11.99 1.43 0.06 0.00 0.01 0.00 85.92 0.58 62 L C C 56.86 13.61 14.02 28.17 113.40 -157.70 -108.02 116.40 70.50 29.47 0.03 59.92 8.36 0.26 0.00 0.03 0.00 30.90 0.52 63 P C C 72.20 6.14 14.83 22.54 98.88 -160.06 -71.31 -22.53 85.54 14.23 0.23 62.17 21.01 2.05 0.03 0.26 0.00 13.54 0.94 64 H C C 90.79 5.59 11.45 18.84 125.02 7.86 -123.31 141.34 85.61 13.08 1.31 56.15 23.32 6.35 0.21 1.38 0.00 7.47 5.11 65 P C T 101.99 3.17 11.23 15.85 99.74 -96.42 -64.04 -8.78 96.46 0.54 3.00 2.45 12.68 80.96 0.20 3.14 0.00 0.35 0.21 66 L C T 130.83 2.09 11.83 14.32 97.75 34.72 -83.20 -3.82 95.36 1.00 3.63 3.57 13.08 78.34 0.33 3.65 0.00 0.70 0.34 67 K C S 106.45 5.45 12.59 19.59 120.07 75.01 -111.20 139.08 89.30 8.38 2.33 26.53 49.27 13.90 0.26 2.29 0.00 5.03 2.71 68 Y C C 111.34 9.76 13.85 24.56 106.93 -134.25 -82.98 96.46 91.85 7.79 0.35 41.88 36.91 12.96 0.03 0.43 0.00 7.23 0.56 69 K E E 73.50 10.20 18.90 29.90 127.81 137.66 -122.90 146.43 46.37 53.55 0.08 38.11 7.24 0.48 0.02 0.08 0.00 52.67 1.41 70 I E E 14.96 20.54 16.62 37.41 120.48 -143.93 -108.19 133.69 10.18 89.81 0.01 10.03 0.17 0.01 0.00 0.00 0.00 89.47 0.31 71 I E E 33.49 11.62 24.42 37.23 117.29 -154.81 -109.41 126.79 1.67 98.33 0.00 1.40 0.09 0.00 0.00 0.00 0.00 98.48 0.03 72 V E E 5.12 24.48 18.92 43.92 119.54 -164.84 -111.76 127.99 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.80 0.00 73 R E E 58.93 11.87 26.83 39.22 119.17 -163.10 -110.80 127.66 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 74 I E E 4.16 25.32 19.62 45.59 119.99 -167.34 -114.53 127.45 0.63 99.37 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.38 0.01 75 H E E 55.09 10.99 26.93 38.48 118.33 -161.88 -108.57 130.21 3.04 96.96 0.00 2.99 0.05 0.00 0.00 0.00 0.00 96.88 0.07 76 T E E 11.48 21.34 14.98 36.18 133.45 167.50 -131.05 156.60 30.45 69.53 0.02 29.77 0.62 0.03 0.00 0.01 0.00 68.69 0.87 77 T C C 50.96 7.61 18.71 27.33 120.85 -115.19 -84.69 161.85 86.44 13.39 0.17 71.67 13.14 1.39 0.04 0.17 0.00 12.01 1.59 78 S C T 83.80 4.06 15.02 20.53 92.64 -95.12 -63.92 -24.74 99.00 0.42 0.58 2.05 33.78 63.30 0.04 0.47 0.00 0.24 0.12 79 Q C T 149.51 0.97 16.63 16.30 97.16 45.94 -89.76 -8.71 99.23 0.24 0.54 3.87 28.24 67.16 0.05 0.47 0.00 0.15 0.08 80 S C S 33.83 12.11 11.76 24.82 126.55 62.39 -116.53 152.74 96.35 3.24 0.41 31.56 63.69 1.26 0.14 0.20 0.00 1.04 2.11 81 S C C 49.06 4.68 22.26 26.78 119.75 -121.61 -85.33 156.59 99.64 0.24 0.12 98.31 1.35 0.06 0.09 0.01 0.00 0.07 0.10 82 P H H 19.55 22.20 14.32 36.10 91.66 -112.71 -59.74 -37.00 3.82 0.01 96.17 0.62 0.42 2.58 95.23 1.14 0.00 0.00 0.00 83 M H H 84.27 10.67 21.62 32.20 91.71 54.05 -63.04 -41.34 1.49 0.00 98.51 0.18 0.10 1.03 97.79 0.90 0.00 0.00 0.00 84 Q H H 96.73 2.94 25.52 27.58 91.70 48.90 -65.13 -40.94 0.39 0.00 99.61 0.07 0.03 0.22 99.02 0.65 0.00 0.00 0.00 85 A H H 6.82 18.27 18.47 37.62 91.51 50.90 -63.20 -43.52 0.17 0.00 99.83 0.03 0.01 0.09 99.76 0.11 0.00 0.00 0.00 86 Y H H 19.65 22.26 20.18 41.53 91.63 49.34 -64.00 -42.74 0.14 0.00 99.86 0.02 0.01 0.09 99.85 0.04 0.00 0.00 0.00 87 N H H 76.52 6.32 24.52 31.13 91.49 50.05 -63.62 -42.09 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 89.74 4.07 25.61 29.40 91.80 48.37 -65.00 -41.54 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 89 A H H 5.65 19.94 19.17 39.63 91.77 50.25 -63.39 -43.62 0.16 0.00 99.84 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 90 I H H 26.38 17.48 21.05 38.13 91.44 49.78 -63.16 -42.47 0.14 0.00 99.86 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 91 N H H 87.41 2.61 25.37 26.84 91.51 49.93 -63.82 -42.07 0.15 0.00 99.85 0.01 0.00 0.09 99.87 0.02 0.00 0.00 0.00 92 D H H 54.75 7.29 22.57 30.41 91.80 48.99 -65.01 -41.41 0.29 0.00 99.71 0.02 0.01 0.20 99.74 0.03 0.00 0.00 0.00 93 L H H 10.19 21.79 16.91 38.71 91.87 50.56 -64.75 -42.05 0.25 0.00 99.75 0.02 0.01 0.16 99.77 0.04 0.00 0.00 0.00 94 D H H 64.16 9.04 20.83 30.31 91.43 51.76 -62.84 -41.51 0.20 0.00 99.80 0.02 0.01 0.11 99.82 0.03 0.00 0.00 0.00 95 K H H 123.48 1.59 23.45 22.80 91.73 49.69 -64.43 -41.45 0.27 0.00 99.73 0.03 0.01 0.17 99.74 0.04 0.00 0.00 0.00 96 E H H 58.18 10.25 19.19 30.29 92.03 49.43 -65.08 -41.21 0.30 0.00 99.70 0.03 0.01 0.20 99.70 0.06 0.00 0.00 0.00 97 L H H 31.22 15.66 16.18 32.15 91.87 50.79 -64.24 -41.11 0.34 0.00 99.66 0.04 0.02 0.21 99.65 0.08 0.00 0.00 0.00 98 D H H 81.59 2.63 20.81 22.79 91.64 51.45 -63.71 -40.46 0.46 0.00 99.53 0.06 0.02 0.30 99.55 0.08 0.00 0.00 0.00 99 Y H H 119.63 2.59 19.86 21.80 91.72 50.03 -64.55 -41.94 0.48 0.00 99.52 0.05 0.02 0.32 99.53 0.08 0.00 0.00 0.00 100 L H H 39.70 12.07 16.00 29.12 92.15 49.74 -64.88 -41.85 0.35 0.00 99.65 0.06 0.02 0.21 99.63 0.09 0.00 0.00 0.00 101 K H H 93.08 7.81 17.23 25.97 91.50 51.52 -62.85 -41.31 0.35 0.00 99.65 0.05 0.02 0.22 99.64 0.08 0.00 0.00 0.00 102 N H H 96.23 1.52 19.68 19.38 91.85 49.84 -65.23 -40.55 0.60 0.00 99.40 0.07 0.03 0.40 99.40 0.09 0.00 0.00 0.00 103 Q H H 91.01 3.76 18.04 22.20 92.02 49.63 -65.05 -41.30 0.58 0.00 99.41 0.07 0.03 0.37 99.44 0.08 0.00 0.00 0.00 104 F H H 61.14 10.49 14.41 26.09 92.21 49.43 -64.56 -42.00 0.38 0.00 99.62 0.07 0.03 0.20 99.63 0.07 0.00 0.00 0.00 105 E H H 107.31 3.26 17.37 21.08 91.62 50.97 -63.63 -41.08 0.33 0.00 99.67 0.06 0.02 0.17 99.69 0.06 0.00 0.00 0.00 106 A H H 59.56 1.76 17.59 18.31 91.68 50.08 -64.44 -41.06 0.51 0.00 99.48 0.08 0.03 0.30 99.48 0.10 0.00 0.00 0.00 107 E H H 83.82 4.65 15.90 21.69 92.22 49.47 -65.37 -40.81 0.95 0.00 99.05 0.14 0.06 0.58 99.03 0.18 0.00 0.00 0.00 108 V H H 58.32 6.56 13.55 21.62 92.33 50.25 -64.93 -40.73 1.75 0.01 98.25 0.35 0.14 1.04 98.10 0.37 0.00 0.00 0.00 109 A H H 61.52 1.83 15.17 16.78 91.74 51.46 -64.17 -40.04 4.45 0.02 95.53 0.86 0.38 2.89 94.97 0.89 0.00 0.01 0.01 110 K H H 127.07 1.51 14.35 15.50 92.52 50.77 -66.36 -38.30 11.27 0.04 88.69 1.82 0.99 8.15 87.20 1.81 0.01 0.02 0.02 111 F H H 102.72 4.50 10.77 16.85 94.42 49.40 -72.26 -32.43 14.79 0.11 85.10 4.82 2.17 8.03 80.70 4.16 0.01 0.05 0.06 112 S H H 71.80 3.09 10.34 14.85 94.53 58.35 -69.71 -30.02 23.58 0.22 76.20 7.20 2.98 13.41 68.27 7.88 0.03 0.11 0.12 113 N H H 126.03 1.10 10.30 11.74 96.92 55.76 -77.90 -14.57 44.50 0.32 55.17 10.63 4.50 29.17 46.76 8.56 0.03 0.14 0.21 114 Q C C 132.52 1.81 8.79 11.89 100.62 71.42 -82.02 -5.37 65.70 0.33 33.97 38.26 1.88 26.26 28.53 4.70 0.00 0.15 0.22 115 F C C 137.06 4.12 9.00 14.78 106.72 83.65 -89.38 66.58 99.95 0.02 0.02 99.86 0.06 0.05 0.01 0.00 0.00 0.01 0.00