# 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 138.93 3.38 12.34 17.45 114.90 -156.45 -96.20 128.20 99.55 0.17 0.28 99.39 0.13 0.13 0.22 0.01 0.00 0.08 0.03 1 F C C 134.54 4.58 8.84 15.31 116.08 -162.91 -97.46 129.56 74.87 3.45 21.67 69.70 1.31 4.05 19.74 2.01 0.00 2.30 0.90 2 R C C 151.93 3.01 9.29 14.05 111.49 -152.06 -91.48 125.18 66.36 6.37 27.27 53.82 6.22 5.24 25.54 3.17 0.01 4.66 1.34 3 V C C 89.98 5.34 9.43 16.46 106.53 -155.01 -83.62 36.33 55.69 5.63 38.68 43.42 6.45 5.53 34.81 4.51 0.01 4.17 1.10 4 R C H 139.55 5.12 10.30 16.92 102.59 59.66 -80.63 -7.07 49.27 4.07 46.66 36.11 6.58 6.92 40.45 6.09 0.02 2.98 0.85 5 N C H 104.14 3.65 11.75 16.83 102.50 55.87 -80.72 1.39 48.49 3.02 48.49 31.46 8.16 9.28 41.22 7.06 0.02 2.11 0.69 6 R C H 143.59 4.01 12.54 18.01 102.49 63.06 -83.73 -2.50 48.02 4.72 47.26 32.10 7.75 8.79 40.59 6.32 0.04 3.43 0.99 7 I C C 77.29 10.66 10.03 21.28 105.79 67.14 -86.61 54.98 53.07 7.00 39.93 39.36 7.18 6.67 35.81 4.43 0.04 5.02 1.51 8 K C C 125.53 4.97 12.66 19.25 110.26 72.54 -87.67 120.34 64.32 5.97 29.71 47.30 6.68 8.88 28.01 3.49 0.02 4.21 1.42 9 R C C 155.91 3.97 12.27 17.93 104.72 -130.28 -83.76 25.51 73.24 4.40 22.36 43.54 12.41 16.29 19.65 4.00 0.02 2.77 1.33 10 T C C 79.81 6.33 13.01 20.64 107.35 81.54 -94.92 56.06 86.50 2.35 11.15 52.59 16.15 17.53 8.75 2.75 0.00 1.38 0.84 11 G C C 41.22 7.33 15.72 23.85 105.62 -116.77 76.77 3.29 95.47 2.36 2.16 51.71 30.32 13.79 0.62 1.40 0.00 1.65 0.52 12 R C C 111.72 8.96 18.25 27.84 118.57 72.50 -100.57 133.04 88.48 10.87 0.64 60.08 26.19 2.25 0.15 0.49 0.00 9.98 0.86 13 L C C 25.51 20.06 16.74 36.47 115.97 -120.68 -73.57 141.77 69.03 30.74 0.22 64.22 2.79 0.43 0.05 0.14 0.00 31.78 0.59 14 R E E 66.05 13.80 24.99 38.50 125.81 -161.57 -120.99 138.05 8.82 91.15 0.03 8.33 0.48 0.04 0.01 0.01 0.00 90.59 0.53 15 L E E 7.05 25.15 19.91 45.13 122.52 -155.43 -113.36 132.80 2.01 97.98 0.00 1.89 0.06 0.00 0.00 0.00 0.00 98.00 0.03 16 S E E 18.42 14.01 26.99 41.47 122.80 -167.92 -119.59 133.66 0.51 99.49 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.01 17 V E E 10.00 24.02 19.82 43.72 120.93 -164.64 -116.98 126.85 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 18 F E E 59.55 11.27 25.81 37.36 126.01 -173.85 -124.79 137.33 0.32 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.68 0.01 19 R E E 85.12 16.09 17.92 33.25 119.71 -154.17 -108.41 129.10 3.99 96.00 0.01 3.52 0.24 0.02 0.00 0.00 0.00 96.08 0.12 20 S C C 31.54 8.93 17.55 27.67 131.02 171.70 -122.45 177.22 79.14 20.82 0.04 76.75 1.30 0.12 0.01 0.02 0.00 21.45 0.35 21 L C S 119.66 4.38 16.35 21.78 91.65 -90.26 -64.29 -30.08 99.60 0.27 0.13 2.92 80.58 16.15 0.01 0.10 0.00 0.19 0.05 22 K C S 127.82 4.13 17.22 22.01 103.50 24.72 -106.99 -18.04 99.57 0.30 0.13 2.09 81.21 16.34 0.01 0.10 0.00 0.21 0.04 23 H E E 60.66 10.13 20.02 30.84 142.09 11.54 -154.42 160.17 41.06 58.90 0.04 31.51 7.61 0.36 0.00 0.04 0.00 60.08 0.38 24 I E E 9.05 23.23 16.93 40.86 119.58 -131.73 -109.40 129.80 1.39 98.61 0.00 1.32 0.03 0.00 0.00 0.00 0.00 98.62 0.02 25 Y E E 41.32 13.22 26.73 40.52 124.39 -170.15 -120.56 138.91 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 26 A E E 2.14 26.14 20.38 47.05 127.75 -170.27 -126.66 139.84 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 27 Q E E 29.88 15.77 28.37 44.10 126.58 -169.23 -125.76 139.49 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 28 I E E 5.89 23.92 23.17 47.18 117.07 -148.42 -104.65 126.48 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 29 I E E 18.07 16.48 22.06 39.25 124.16 -169.36 -119.81 135.98 0.22 99.78 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.77 0.02 30 D E E 30.41 10.99 20.20 32.95 107.95 -128.86 -84.16 115.40 13.01 86.98 0.01 12.51 0.26 0.02 0.00 0.00 0.00 86.96 0.25 31 D C T 48.41 16.03 14.25 30.55 93.73 -159.08 -70.34 -25.01 99.28 0.12 0.60 0.27 2.60 96.58 0.02 0.43 0.00 0.07 0.02 32 E C T 138.35 2.10 16.42 18.89 96.72 50.06 -76.54 -38.95 99.21 0.08 0.71 0.18 2.21 96.97 0.02 0.56 0.00 0.04 0.02 33 K C T 136.93 1.83 15.92 17.19 99.00 22.25 -100.40 -10.73 99.45 0.05 0.50 0.38 2.08 97.10 0.02 0.39 0.00 0.02 0.01 34 G C C 38.09 9.08 12.47 22.91 95.42 -124.71 73.39 14.91 99.04 0.58 0.38 54.22 5.95 38.90 0.09 0.24 0.00 0.48 0.12 35 V C C 69.84 6.28 19.17 26.68 117.87 143.41 -90.98 137.01 51.50 48.42 0.08 46.47 4.51 0.21 0.02 0.06 0.00 43.42 5.30 36 T E E 50.79 15.92 17.15 32.71 111.48 -122.59 -79.21 124.31 0.91 99.09 0.00 0.90 0.03 0.00 0.00 0.00 0.00 98.83 0.25 37 L E E 32.69 16.95 21.32 38.08 100.08 176.85 -93.98 -30.56 2.15 97.85 0.00 0.94 1.07 0.01 0.00 0.00 0.00 97.96 0.01 38 V E E 9.91 21.19 21.66 42.97 141.12 2.97 -153.85 149.20 0.22 99.78 0.00 0.16 0.02 0.00 0.00 0.00 0.00 99.82 0.00 39 S E E 35.10 18.13 24.53 41.02 134.95 -172.89 -140.22 147.10 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 40 A E E 7.94 22.72 21.75 43.78 135.62 -174.40 -141.51 149.45 0.75 99.25 0.00 0.70 0.02 0.00 0.00 0.00 0.00 99.24 0.03 41 S E E 25.64 15.08 24.59 39.30 136.45 -173.88 -140.83 154.89 9.31 90.62 0.07 8.45 0.65 0.08 0.02 0.05 0.00 90.28 0.47 42 S C C 23.19 19.30 18.44 36.84 98.40 -130.93 -82.63 -14.37 71.32 18.22 10.46 33.04 27.14 12.79 2.57 6.98 0.04 16.07 1.36 43 L C S 81.72 9.29 21.51 30.76 95.83 69.38 -80.23 -7.97 78.77 3.72 17.50 29.42 29.56 21.28 6.13 10.13 0.03 2.06 1.40 44 A C C 34.22 13.65 14.74 28.82 109.30 106.50 -73.76 122.69 65.41 1.42 33.17 37.61 15.87 11.95 12.10 21.01 0.00 0.66 0.79 45 L H G 107.11 6.32 16.19 23.63 94.83 -133.47 -67.55 -25.30 48.80 0.83 50.37 14.69 9.68 24.41 12.78 37.54 0.01 0.43 0.44 46 K C G 139.02 3.19 19.19 22.88 95.78 60.10 -79.46 -4.89 49.79 1.30 48.91 18.55 8.10 23.49 11.79 36.78 0.01 0.73 0.56 47 L C C 33.45 19.74 10.51 28.93 103.26 80.14 -85.02 16.80 66.19 2.07 31.74 45.61 11.13 9.39 11.00 20.79 0.00 1.06 1.02 48 K C C 128.29 5.73 16.86 23.96 114.50 116.48 -94.37 129.95 93.37 1.14 5.49 77.06 7.87 8.57 3.40 1.85 0.00 0.57 0.69 49 G C C 45.44 3.83 16.90 21.66 121.49 29.72 103.86 -169.83 95.68 1.11 3.22 58.61 23.83 13.39 1.53 1.50 0.00 0.53 0.61 50 N C C 106.46 5.99 16.04 23.18 106.67 -40.66 -89.96 83.15 93.78 1.46 4.77 67.67 18.67 7.39 3.07 1.68 0.00 0.64 0.89 51 K C C 94.24 10.02 16.81 27.25 110.29 124.55 -95.10 110.93 72.89 2.53 24.58 52.05 16.47 3.66 23.90 1.59 0.00 0.74 1.57 52 T H H 51.77 15.23 16.34 30.85 95.01 -132.11 -64.77 -37.29 12.28 0.15 87.56 6.27 2.39 3.75 86.44 1.04 0.01 0.06 0.05 53 E H H 109.35 3.23 24.70 27.47 92.12 53.74 -64.71 -40.08 5.45 0.08 94.46 2.76 0.66 1.98 93.63 0.91 0.00 0.04 0.02 54 V H H 21.61 14.71 21.04 36.26 91.75 51.37 -64.49 -42.06 1.56 0.02 98.41 0.75 0.17 0.56 98.00 0.50 0.00 0.01 0.00 55 A H H 2.11 25.91 18.80 44.90 91.08 51.32 -63.46 -42.75 0.52 0.00 99.48 0.17 0.05 0.22 99.35 0.21 0.00 0.00 0.00 56 R H H 92.97 12.80 26.38 38.56 91.42 50.97 -63.34 -42.13 0.35 0.00 99.64 0.07 0.03 0.18 99.61 0.11 0.00 0.00 0.00 57 Q H H 75.06 6.52 29.61 37.50 91.34 49.93 -64.15 -42.01 0.31 0.00 99.69 0.04 0.02 0.19 99.69 0.06 0.00 0.00 0.00 58 V H H 2.42 25.05 25.12 49.70 91.61 49.56 -63.96 -44.08 0.17 0.00 99.83 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 59 G H H 0.78 26.95 23.90 50.85 91.17 51.25 -62.77 -43.34 0.17 0.00 99.83 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 60 R H H 99.09 9.48 29.32 39.88 91.39 50.08 -63.42 -41.64 0.20 0.00 99.80 0.01 0.01 0.12 99.85 0.01 0.00 0.00 0.00 61 A H H 24.06 10.02 28.61 40.40 91.36 49.93 -63.58 -43.11 0.13 0.00 99.87 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 62 L H H 1.46 26.60 25.37 51.74 91.69 49.39 -64.54 -43.75 0.07 0.00 99.93 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 63 A H H 2.76 24.82 22.94 47.29 91.04 51.28 -62.78 -43.50 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 64 E H H 96.07 4.36 28.89 33.87 91.16 50.04 -63.25 -42.48 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 65 K H H 64.34 10.30 25.58 36.22 91.66 49.00 -64.78 -41.61 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 66 A H H 1.06 26.73 15.60 43.35 90.85 50.62 -63.30 -43.20 0.13 0.00 99.87 0.01 0.00 0.10 99.84 0.05 0.00 0.00 0.00 67 L H H 72.03 13.07 19.47 32.08 91.20 50.27 -62.28 -41.32 0.40 0.00 99.60 0.01 0.01 0.36 99.36 0.26 0.00 0.00 0.00 68 A H H 86.46 1.43 21.46 21.86 89.68 54.17 -64.35 -28.10 5.33 0.00 94.67 0.04 0.07 5.75 93.76 0.37 0.00 0.00 0.00 69 L C T 69.10 11.11 15.50 27.55 92.56 53.74 -87.14 -0.83 80.30 0.01 19.69 0.13 0.44 80.30 18.65 0.47 0.00 0.00 0.01 70 G C T 45.36 3.37 22.84 26.37 97.87 -101.80 90.93 11.40 99.91 0.00 0.08 0.38 0.39 99.20 0.02 0.01 0.00 0.00 0.00 71 I C C 10.71 24.34 10.21 34.40 111.63 147.52 -82.01 122.99 88.69 11.26 0.04 89.55 0.34 0.04 0.01 0.01 0.00 9.47 0.57 72 K C C 126.46 4.38 23.53 28.96 101.04 175.07 -104.58 -18.69 80.53 19.43 0.05 68.44 10.23 0.28 0.00 0.04 0.00 20.69 0.31 73 Q E E 76.52 9.40 25.28 35.51 130.04 41.15 -133.06 139.93 12.39 87.55 0.06 10.09 1.87 0.16 0.01 0.04 0.00 87.61 0.22 74 V E E 4.27 26.41 18.03 45.07 125.29 -168.41 -126.63 134.41 2.10 97.88 0.02 2.05 0.08 0.01 0.00 0.00 0.00 97.77 0.08 75 A E E 18.88 16.21 27.61 43.48 122.48 -163.70 -114.93 134.38 1.49 98.50 0.01 1.46 0.05 0.00 0.00 0.00 0.00 98.35 0.13 76 F E E 14.83 23.85 20.32 43.58 124.94 -165.51 -118.29 135.78 8.98 91.00 0.02 8.72 0.24 0.02 0.01 0.01 0.00 90.76 0.24 77 D C E 50.93 13.16 22.92 35.82 108.69 -137.83 -94.37 114.13 52.56 47.33 0.11 44.00 6.10 0.51 0.02 0.10 0.00 48.70 0.56 78 R C C 68.59 16.14 15.70 31.59 101.11 174.12 -98.59 6.46 85.00 14.11 0.89 72.80 9.42 2.32 0.22 0.73 0.00 12.14 2.37 79 G C C 34.71 7.44 16.47 25.06 115.51 -153.57 65.74 -155.48 86.06 5.01 8.93 35.12 20.76 30.25 0.98 8.50 0.00 2.97 1.42 80 P C T 109.45 2.56 15.53 18.67 96.61 -15.12 -81.91 -2.71 86.64 1.66 11.70 13.05 29.40 43.66 1.10 11.14 0.00 0.88 0.77 81 Y C C 115.46 9.37 11.76 22.06 116.79 90.85 -91.56 132.88 81.97 4.45 13.58 37.90 24.81 19.26 2.30 11.36 0.01 2.19 2.18 82 K C C 129.85 4.59 16.84 22.79 114.81 -146.59 -89.67 135.18 88.96 4.50 6.54 53.15 21.09 14.84 2.07 4.40 0.00 2.40 2.04 83 Y C C 99.98 14.77 11.91 26.15 112.93 -107.41 -83.72 122.09 90.75 3.51 5.74 64.44 15.03 11.15 2.44 3.25 0.00 1.75 1.95 84 H C C 93.04 6.42 16.48 24.38 130.97 165.92 -133.81 161.94 90.79 1.70 7.52 73.78 13.15 2.99 7.23 1.11 0.00 0.61 1.13 85 G H H 45.22 4.00 19.94 24.41 107.40 -35.83 59.19 -123.84 17.72 0.11 82.17 4.31 6.84 6.92 80.71 1.08 0.02 0.03 0.07 86 R H H 88.43 14.05 19.46 32.86 93.11 9.76 -67.53 -36.54 4.27 0.03 95.70 0.97 0.66 2.49 95.10 0.76 0.01 0.01 0.01 87 V H H 6.49 24.54 17.21 41.45 91.70 52.23 -63.73 -42.33 1.37 0.02 98.61 0.42 0.17 0.69 98.19 0.52 0.00 0.01 0.00 88 K H H 94.57 9.52 24.99 34.63 91.44 51.73 -62.88 -41.69 0.52 0.00 99.47 0.15 0.05 0.24 99.34 0.21 0.00 0.00 0.00 89 A H H 34.41 7.47 25.92 34.22 91.35 50.83 -64.07 -42.39 0.32 0.00 99.68 0.06 0.02 0.17 99.64 0.11 0.00 0.00 0.00 90 L H H 9.61 22.77 23.18 45.40 91.98 49.48 -64.78 -43.07 0.26 0.00 99.74 0.04 0.01 0.16 99.70 0.08 0.00 0.00 0.00 91 A H H 8.43 20.77 22.60 42.90 91.45 49.87 -62.76 -43.36 0.33 0.00 99.67 0.05 0.02 0.19 99.67 0.07 0.00 0.00 0.00 92 E H H 95.92 4.30 27.94 32.55 91.39 49.97 -63.44 -41.87 0.55 0.00 99.45 0.09 0.04 0.33 99.42 0.12 0.00 0.00 0.00 93 G H H 14.32 10.90 22.14 34.19 91.58 50.58 -63.21 -42.56 0.96 0.00 99.04 0.16 0.07 0.61 98.91 0.25 0.00 0.00 0.00 94 A H H 10.02 21.35 17.24 38.47 91.89 50.08 -64.29 -41.08 1.85 0.01 98.15 0.32 0.18 1.22 97.78 0.50 0.00 0.00 0.00 95 R H H 122.86 8.59 20.37 29.48 91.94 49.69 -65.20 -38.45 5.95 0.04 94.02 1.03 0.65 4.20 93.25 0.83 0.01 0.02 0.02 96 E H H 140.25 1.85 19.72 21.12 92.61 49.61 -69.88 -28.12 19.94 0.07 79.99 2.01 1.51 15.70 79.81 0.88 0.02 0.02 0.04 97 G C H 38.65 9.26 14.33 24.02 96.24 51.04 -77.28 -11.85 55.64 0.11 44.25 16.80 1.30 33.00 47.95 0.83 0.00 0.04 0.07 98 G C C 39.15 7.91 17.14 25.74 116.30 -129.44 86.96 -167.45 99.95 0.02 0.02 99.69 0.12 0.16 0.01 0.00 0.00 0.01 0.00