# 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 58.68 14.00 14.73 28.94 122.19 -162.40 -107.50 137.38 98.37 1.62 0.01 97.73 0.61 0.08 0.00 0.00 0.00 1.50 0.08 1 Q E B 89.55 6.39 14.54 22.45 124.62 -162.24 -116.23 143.37 6.59 93.34 0.07 5.47 0.22 0.01 0.08 0.01 0.00 15.83 78.38 2 N C C 53.79 8.46 10.07 20.20 122.22 -129.78 -81.51 175.45 93.34 6.56 0.09 93.87 0.54 0.13 0.02 0.04 0.00 4.14 1.26 3 E C T 158.72 1.74 11.07 14.06 91.46 -91.39 -65.52 -20.78 98.70 0.73 0.58 0.88 4.11 93.75 0.02 0.54 0.00 0.62 0.07 4 V C T 117.51 1.22 11.31 12.49 94.56 53.34 -88.61 -0.01 99.29 0.15 0.56 0.37 3.49 95.52 0.02 0.48 0.00 0.09 0.03 5 G C S 43.82 4.81 10.68 17.26 98.14 -102.57 86.12 6.10 99.03 0.59 0.37 12.16 85.10 1.96 0.03 0.26 0.00 0.32 0.18 6 D C C 84.92 3.27 12.55 17.46 117.53 136.16 -85.41 140.63 96.11 3.72 0.17 83.16 12.34 0.75 0.07 0.11 0.00 2.06 1.52 7 M E B 101.16 7.64 11.28 20.51 113.14 -118.97 -84.54 127.25 11.55 88.22 0.23 8.62 0.89 0.10 0.20 0.05 0.00 18.92 71.21 8 V C C 65.77 8.72 12.30 22.50 115.98 -175.26 -111.26 133.07 76.31 23.29 0.40 70.21 4.08 0.78 0.10 0.31 0.00 22.79 1.73 9 D C C 92.94 5.59 15.81 22.50 112.84 -130.11 -95.45 119.73 77.75 21.63 0.62 55.95 18.98 2.67 0.12 0.56 0.00 20.18 1.53 10 L C C 74.93 11.16 13.14 24.97 116.85 -155.04 -97.31 131.93 67.44 31.75 0.81 48.13 16.83 2.93 0.19 0.72 0.00 28.82 2.39 11 Y E E 111.57 9.37 15.41 25.68 121.46 -166.15 -113.24 135.65 43.80 55.79 0.41 34.56 7.49 0.90 0.18 0.32 0.00 46.40 10.16 12 V E E 55.25 11.67 14.93 27.58 118.04 -162.49 -117.33 121.26 49.75 50.15 0.10 43.39 5.85 0.22 0.04 0.08 0.00 47.01 3.42 13 P C C 59.76 8.56 16.25 26.15 111.98 -118.86 -66.84 143.28 60.25 38.60 1.15 52.64 5.09 1.45 0.37 0.81 0.00 37.13 2.51 14 R C C 123.40 9.57 13.50 23.73 103.21 -130.87 -77.58 -13.29 62.34 19.37 18.29 37.27 16.49 10.24 4.03 13.66 0.07 14.46 3.78 15 K C C 136.34 3.54 16.32 20.71 99.27 73.21 -77.52 -15.66 57.41 23.23 19.36 27.60 19.15 13.75 4.17 13.94 0.21 16.33 4.86 16 C C C 56.72 9.31 12.47 22.98 107.09 55.63 -98.16 25.75 51.11 32.44 16.45 29.61 13.09 9.20 5.18 10.98 0.39 19.23 12.31 17 S C C 37.99 11.26 10.69 22.78 116.40 91.64 -97.10 146.75 70.05 22.42 7.53 50.18 11.67 7.25 3.23 4.39 0.06 13.14 10.10 18 A C T 82.12 3.62 13.36 18.10 95.29 -127.35 -69.57 -20.57 91.63 2.32 6.05 8.33 20.48 63.06 1.57 4.14 0.01 1.55 0.87 19 T C T 93.16 2.86 13.20 16.79 99.30 50.81 -90.92 -1.21 93.92 1.35 4.72 7.49 22.66 64.07 1.02 3.34 0.00 0.84 0.59 20 N C S 99.95 6.47 11.68 19.59 98.61 -118.45 58.25 34.28 90.66 6.05 3.30 37.30 40.39 13.29 0.71 2.59 0.00 3.50 2.23 21 R C C 138.23 4.59 13.37 19.59 116.84 141.38 -95.02 136.82 82.50 15.83 1.67 59.92 18.11 4.15 0.70 1.13 0.00 11.57 4.41 22 I C C 99.92 6.69 14.65 22.45 112.01 -111.87 -84.94 125.26 55.16 43.33 1.51 44.99 7.55 1.27 0.96 0.73 0.01 21.13 23.35 23 I C C 52.46 15.36 10.89 26.10 115.23 -132.21 -96.22 126.52 72.93 25.37 1.69 62.19 7.59 1.54 1.06 0.85 0.00 19.30 7.46 24 T C C 68.17 5.23 17.39 23.36 125.52 -165.21 -113.98 159.77 83.05 14.04 2.91 67.92 11.33 3.29 1.44 1.58 0.00 9.74 4.71 25 A C T 66.83 8.24 12.19 21.44 96.56 -107.70 -64.96 -26.55 69.62 4.59 25.78 22.43 20.69 28.78 6.73 16.84 0.08 2.49 1.97 26 K C T 151.13 2.03 16.34 18.61 96.50 61.10 -74.44 -17.11 72.01 2.68 25.31 15.38 19.68 38.31 6.26 17.52 0.05 1.45 1.36 27 D C C 67.12 9.89 14.15 24.71 100.93 58.39 -91.40 1.71 69.93 4.17 25.90 28.33 18.08 25.31 5.95 18.25 0.04 2.12 1.92 28 H C C 77.45 13.63 14.85 28.05 108.07 88.57 -91.05 51.30 70.97 10.08 18.95 35.31 17.14 20.23 5.14 12.72 0.06 6.29 3.09 29 A C C 45.97 10.43 17.88 28.80 103.14 124.05 -84.45 -2.37 71.14 16.29 12.57 29.97 26.48 16.49 2.48 9.07 0.07 13.59 1.84 30 S E E 42.15 11.90 19.24 31.11 125.27 16.88 -115.66 143.61 39.15 54.31 6.54 27.32 8.62 5.10 1.27 4.72 0.02 51.73 1.22 31 V E E 33.79 17.03 16.57 33.62 124.62 -165.09 -122.19 134.70 9.25 90.54 0.21 8.08 0.96 0.15 0.08 0.10 0.00 90.26 0.37 32 Q E E 86.28 8.84 21.69 30.99 117.55 -145.87 -98.89 131.88 2.10 97.87 0.02 1.90 0.13 0.02 0.01 0.01 0.00 97.78 0.14 33 I E E 34.89 18.93 15.17 33.75 123.33 -166.72 -117.64 133.88 3.25 96.73 0.02 3.01 0.14 0.01 0.01 0.01 0.00 96.72 0.10 34 N E E 72.35 7.83 21.59 30.01 115.77 -153.51 -101.22 122.74 5.64 94.33 0.03 4.74 0.65 0.06 0.00 0.02 0.00 94.37 0.16 35 I E E 43.74 16.75 15.07 31.79 114.90 -168.96 -106.83 119.75 10.30 89.59 0.11 9.23 0.80 0.13 0.02 0.08 0.00 89.03 0.70 36 G E E 25.24 8.87 18.53 28.21 116.80 -155.52 -94.41 -42.80 25.27 74.55 0.18 13.22 11.51 1.38 0.01 0.19 0.00 73.36 0.33 37 H E E 103.44 5.88 18.45 24.88 116.55 -7.78 -102.78 126.17 13.36 86.55 0.09 7.38 5.08 0.78 0.01 0.10 0.00 86.32 0.33 38 V E E 50.48 13.80 9.98 24.06 123.53 -167.85 -115.18 141.75 3.57 96.40 0.02 3.33 0.30 0.01 0.02 0.01 0.00 68.57 27.76 39 D C C 62.87 4.12 12.93 18.61 124.12 -128.23 -82.02 175.45 97.23 2.75 0.02 97.72 0.18 0.03 0.00 0.00 0.00 1.79 0.27 40 E C T 172.03 0.73 10.60 11.53 90.21 -88.38 -63.07 -20.12 99.63 0.14 0.23 0.19 2.32 97.17 0.00 0.20 0.00 0.09 0.02 41 N C T 127.89 0.74 12.30 12.07 92.30 55.16 -88.87 2.21 99.73 0.04 0.22 0.12 2.44 97.22 0.00 0.20 0.00 0.02 0.01 42 G C S 33.66 8.26 10.64 20.44 95.49 -105.70 85.77 8.11 99.45 0.32 0.23 13.78 84.91 0.88 0.02 0.16 0.00 0.15 0.11 43 L C C 80.39 4.44 15.38 21.33 118.13 136.71 -85.40 141.35 87.23 12.71 0.07 83.04 5.02 0.15 0.02 0.03 0.00 4.95 6.77 44 Y E E 71.79 15.42 9.67 24.99 111.52 -117.37 -79.23 128.73 5.39 94.57 0.03 4.64 0.29 0.02 0.04 0.01 0.00 52.48 42.52 45 D E E 89.14 3.92 17.24 21.84 100.79 -173.68 -103.09 2.78 48.41 51.40 0.19 37.51 8.74 1.65 0.03 0.22 0.00 50.95 0.89 46 G C E 44.32 6.35 13.87 21.41 98.15 -100.96 85.15 3.42 59.15 40.49 0.36 12.70 40.23 5.16 0.02 0.35 0.00 41.01 0.53 47 R C E 143.48 3.64 16.98 21.62 117.44 109.96 -95.86 134.67 55.79 43.86 0.34 23.98 28.39 2.80 0.02 0.35 0.00 44.02 0.44 48 F E E 82.46 14.40 13.11 27.24 124.59 -148.80 -119.50 138.97 20.38 79.55 0.07 16.57 3.09 0.26 0.01 0.06 0.00 79.71 0.32 49 T E E 51.70 11.15 18.51 30.37 126.57 -169.34 -125.84 139.65 2.21 97.79 0.00 2.09 0.07 0.00 0.00 0.00 0.00 97.75 0.09 50 T E E 51.96 14.88 18.13 32.71 124.10 -157.57 -117.36 135.81 0.70 99.30 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.02 51 F E E 44.50 15.58 20.40 36.13 125.59 -171.88 -126.35 137.07 0.90 99.10 0.00 0.87 0.02 0.00 0.00 0.00 0.00 99.07 0.03 52 A E E 27.36 15.34 23.36 38.51 118.28 -149.37 -102.46 133.48 4.61 95.37 0.02 4.28 0.19 0.02 0.00 0.01 0.00 95.40 0.10 53 L E E 15.35 21.21 19.90 40.87 121.29 -162.51 -110.19 134.94 18.60 81.22 0.18 17.89 0.65 0.09 0.11 0.07 0.00 79.66 1.52 54 S C C 23.10 13.92 21.27 35.28 125.43 -157.80 -102.65 162.66 68.73 27.04 4.22 62.94 4.07 0.92 3.70 0.83 0.00 25.64 1.90 55 G H H 31.14 9.42 20.72 30.49 93.78 -85.35 -57.13 -43.36 16.40 0.43 83.18 2.89 3.92 10.25 75.38 6.96 0.17 0.28 0.15 56 F H H 100.50 5.73 21.93 28.09 91.85 51.31 -65.14 -37.99 8.52 0.21 91.27 1.88 1.37 5.43 83.26 7.78 0.06 0.15 0.06 57 V H H 13.44 19.19 14.68 34.02 92.19 52.35 -65.57 -41.07 5.55 0.21 94.24 1.66 0.96 3.04 84.48 9.62 0.03 0.16 0.05 58 R H H 91.84 12.71 15.98 28.65 91.88 52.95 -65.10 -37.54 9.60 0.34 90.07 2.99 1.59 5.33 81.58 8.12 0.06 0.22 0.10 59 A H H 78.54 2.57 17.29 20.13 92.09 55.26 -68.78 -26.02 27.12 0.49 72.39 4.00 3.54 20.11 65.71 5.94 0.19 0.26 0.25 60 Q C T 105.73 4.87 14.75 20.66 96.25 55.46 -85.81 -4.74 59.83 0.65 39.52 5.71 9.18 44.05 36.46 3.80 0.11 0.26 0.45 61 G C T 47.54 4.97 15.55 21.59 102.16 -110.28 81.40 -2.17 91.58 0.95 7.48 13.98 27.26 50.97 4.01 2.79 0.01 0.43 0.55 62 D C C 81.85 6.39 16.93 24.16 105.01 98.19 -97.74 57.37 90.30 1.24 8.46 60.49 12.68 17.21 4.90 3.32 0.00 0.54 0.86 63 A C H 31.57 16.67 12.87 28.84 96.32 145.59 -66.88 -33.58 51.32 0.97 47.70 23.62 11.75 17.49 34.96 11.11 0.05 0.40 0.63 64 D H H 89.21 6.62 19.41 26.54 94.73 56.19 -68.88 -28.74 40.92 0.48 58.60 7.99 7.65 25.43 46.75 11.53 0.12 0.22 0.32 65 G H H 32.40 5.06 20.11 25.49 94.94 52.26 -70.75 -30.85 34.09 0.52 65.38 11.44 6.34 17.29 54.24 10.09 0.07 0.24 0.29 66 S H H 23.65 11.76 17.26 30.30 93.20 65.56 -64.75 -41.57 13.31 0.19 86.50 6.60 2.70 4.72 83.13 2.66 0.01 0.09 0.08 67 L H H 35.77 16.50 17.34 33.61 92.19 51.72 -64.27 -42.16 4.20 0.08 95.72 1.54 0.76 2.03 94.51 1.09 0.01 0.04 0.02 68 D H H 73.22 5.07 20.99 26.34 91.55 51.48 -64.08 -41.05 2.02 0.03 97.95 0.88 0.24 0.90 97.44 0.52 0.00 0.02 0.01 69 R H H 118.47 3.31 21.17 24.20 92.01 50.55 -64.97 -41.78 0.75 0.01 99.24 0.22 0.07 0.39 99.02 0.29 0.00 0.00 0.00 70 L H H 35.73 12.00 17.48 30.57 91.89 50.14 -64.45 -42.74 0.39 0.00 99.61 0.08 0.03 0.23 99.44 0.21 0.00 0.00 0.00 71 W H H 75.28 10.41 16.98 28.35 91.97 49.98 -64.07 -41.85 0.36 0.00 99.63 0.07 0.02 0.20 99.58 0.12 0.00 0.00 0.00 72 Q H H 101.20 2.50 19.28 21.30 91.87 50.23 -64.37 -41.69 0.56 0.00 99.43 0.10 0.04 0.34 99.42 0.11 0.00 0.00 0.00 73 K H H 106.27 3.55 17.77 21.75 92.21 49.27 -65.54 -40.86 1.22 0.01 98.78 0.21 0.09 0.77 98.76 0.16 0.00 0.00 0.00 74 R H H 94.07 8.51 14.80 24.30 92.47 50.19 -65.79 -39.73 2.85 0.02 97.14 0.61 0.24 1.74 97.08 0.31 0.00 0.01 0.00 75 K H H 109.93 4.08 15.37 20.45 92.33 51.70 -64.84 -39.36 6.52 0.07 93.42 1.71 0.65 3.89 92.89 0.80 0.01 0.03 0.03 76 A H H 62.14 1.99 14.42 16.50 92.44 51.80 -65.88 -38.77 12.63 0.21 87.16 3.59 1.44 7.13 85.91 1.72 0.02 0.11 0.07 77 E H H 105.57 3.06 12.77 16.95 93.96 52.06 -69.31 -35.23 20.34 0.66 79.01 7.33 2.45 10.28 76.35 2.98 0.02 0.40 0.19 78 I H H 87.91 5.62 9.27 16.42 95.93 55.26 -74.24 -29.47 26.84 1.12 72.04 11.39 3.84 12.16 66.18 5.35 0.05 0.65 0.38 79 K H H 154.84 1.36 9.98 12.08 98.18 64.59 -72.97 -14.78 45.76 1.18 53.05 16.80 4.53 24.48 48.11 4.95 0.03 0.63 0.48 80 Q C C 137.56 1.56 8.22 10.92 102.28 71.60 -81.49 3.65 68.58 0.83 30.59 42.24 1.62 23.40 29.12 2.79 0.00 0.39 0.45 81 L C C 118.74 3.09 9.50 14.21 105.70 68.02 -84.26 48.51 99.92 0.04 0.05 99.79 0.07 0.08 0.03 0.00 0.00 0.02 0.01