# 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 102.67 7.57 13.25 22.04 116.04 -157.74 -100.42 127.51 99.87 0.12 0.00 99.86 0.05 0.01 0.00 0.00 0.00 0.06 0.01 1 L C C 104.29 5.73 11.99 19.41 113.09 -145.36 -88.99 127.78 82.15 15.91 1.94 79.94 1.08 1.65 0.74 0.87 0.00 11.32 4.41 2 T C C 79.06 7.87 11.03 20.05 110.53 -155.78 -94.87 115.21 80.34 15.40 4.26 59.66 13.69 6.55 0.83 3.87 0.00 12.79 2.62 3 R C C 132.07 6.38 14.74 22.50 121.61 -146.55 -107.66 137.97 80.94 14.36 4.70 49.54 24.64 6.99 0.55 4.42 0.00 12.47 1.38 4 F C C 102.61 10.04 16.08 26.70 118.36 -140.91 -100.68 134.85 78.79 17.36 3.85 63.80 10.06 4.20 0.56 3.54 0.00 16.11 1.74 5 I C C 37.35 18.30 12.85 30.69 116.28 -146.17 -99.02 125.45 59.32 40.46 0.21 57.97 1.35 0.19 0.07 0.12 0.00 38.33 1.98 6 T C C 73.60 6.73 19.69 27.35 101.39 177.89 -99.57 -24.28 63.24 36.70 0.07 43.52 18.68 0.50 0.01 0.06 0.00 36.80 0.42 7 D E E 70.22 6.36 22.31 29.59 135.81 8.95 -148.86 148.33 11.06 88.86 0.08 8.57 2.15 0.28 0.01 0.06 0.00 88.73 0.20 8 V E E 17.31 23.15 14.07 37.08 126.13 -166.92 -131.85 136.43 2.29 97.70 0.01 2.11 0.10 0.01 0.00 0.01 0.00 97.70 0.06 9 S E E 43.81 8.43 24.50 33.74 125.45 -170.02 -122.33 138.74 1.20 98.80 0.00 1.05 0.05 0.00 0.00 0.00 0.00 98.88 0.02 10 T E E 17.31 22.27 15.72 37.84 130.79 -172.91 -132.17 144.66 1.77 98.23 0.00 1.54 0.07 0.00 0.00 0.00 0.00 98.35 0.03 11 R E E 112.47 7.75 25.32 34.05 120.17 -160.10 -116.21 128.76 5.07 94.93 0.00 4.43 0.32 0.01 0.00 0.00 0.00 95.13 0.11 12 F E E 19.05 22.46 17.01 39.17 134.61 165.50 -140.03 152.11 19.89 80.09 0.01 18.58 1.25 0.03 0.00 0.01 0.00 77.51 2.62 13 N C C 39.65 10.77 24.33 36.02 108.48 -128.30 -99.28 107.99 98.60 1.39 0.01 98.30 0.63 0.03 0.00 0.00 0.00 0.91 0.13 14 P C T 14.23 22.20 16.82 39.33 93.60 -163.13 -67.79 -18.75 99.61 0.10 0.30 1.45 5.74 92.40 0.02 0.29 0.00 0.06 0.03 15 F C T 84.33 12.58 20.30 32.87 95.03 57.39 -90.25 0.56 99.48 0.12 0.40 0.85 7.51 91.15 0.03 0.36 0.00 0.07 0.04 16 S C S 39.20 10.15 16.66 28.01 117.37 93.43 -94.07 132.80 97.80 1.63 0.58 33.40 63.31 0.84 0.20 0.24 0.00 0.38 1.62 17 A C T 78.23 5.45 15.87 23.18 91.71 -135.91 -62.35 -26.76 80.88 0.29 18.83 2.52 9.15 69.51 2.60 15.85 0.00 0.15 0.22 18 K C T 130.30 4.72 19.52 25.21 91.77 63.49 -77.81 -12.17 82.05 0.40 17.54 5.23 7.30 69.34 4.26 13.35 0.00 0.21 0.31 19 A C C 7.68 22.12 12.06 34.10 95.54 77.13 -77.75 1.18 65.38 0.67 33.95 55.53 6.32 5.10 19.41 12.90 0.00 0.26 0.48 20 K H H 105.90 7.12 23.49 31.64 92.94 110.12 -63.01 -39.98 9.07 0.07 90.86 5.71 1.37 2.36 89.05 1.45 0.00 0.03 0.03 21 A H H 24.42 13.33 23.23 36.78 91.87 52.61 -64.43 -40.37 2.90 0.03 97.06 0.93 0.36 1.55 95.65 1.48 0.01 0.02 0.01 22 A H H 1.73 26.39 19.06 45.79 91.74 51.18 -64.57 -40.77 1.15 0.02 98.82 0.42 0.13 0.56 97.56 1.30 0.00 0.02 0.00 23 R H H 75.74 15.72 23.80 38.15 91.43 52.75 -62.72 -41.59 0.43 0.01 99.56 0.12 0.04 0.21 98.99 0.63 0.00 0.00 0.00 24 L H H 71.70 7.01 26.15 33.62 91.63 50.65 -64.35 -41.95 0.44 0.00 99.56 0.06 0.03 0.28 98.91 0.71 0.00 0.00 0.00 25 F H H 8.88 23.15 20.91 43.53 91.99 49.44 -64.54 -43.37 0.76 0.00 99.23 0.07 0.04 0.57 98.14 1.17 0.00 0.00 0.00 26 L H H 6.33 25.24 18.54 43.71 91.20 51.19 -64.32 -37.63 2.12 0.01 97.88 0.11 0.10 1.85 93.49 4.44 0.00 0.00 0.00 27 S H H 64.06 7.35 22.22 30.21 90.41 60.59 -68.17 -23.01 29.61 0.02 70.36 0.33 0.55 30.66 64.40 4.01 0.02 0.01 0.02 28 F C T 97.02 9.43 20.68 30.75 94.10 54.64 -88.62 -8.75 57.48 0.05 42.47 0.93 1.72 55.41 38.08 3.78 0.01 0.02 0.05 29 L C S 11.55 24.68 10.83 35.09 115.35 98.88 -78.94 136.79 98.69 0.51 0.81 16.44 81.68 0.63 0.65 0.09 0.00 0.11 0.41 30 P C C 55.31 7.52 19.22 27.78 113.73 -109.52 -68.01 147.57 98.12 0.27 1.60 95.47 2.00 1.07 0.60 0.61 0.00 0.11 0.16 31 P C T 82.42 9.76 14.29 24.70 96.14 -116.79 -65.69 -24.33 76.33 0.88 22.80 32.00 12.24 32.46 5.21 17.12 0.00 0.42 0.56 32 N C T 115.07 2.84 17.48 20.80 99.22 59.45 -84.78 10.91 74.13 1.82 24.04 30.75 10.46 33.83 5.88 17.19 0.01 0.96 0.92 33 A C C 41.45 13.85 11.04 24.79 103.64 126.81 -77.50 18.88 75.72 2.83 21.45 55.06 12.05 8.30 5.57 16.26 0.00 1.53 1.23 34 R C C 140.55 6.48 14.28 22.07 107.00 93.65 -88.61 47.56 81.10 6.33 12.57 60.15 11.26 9.38 4.80 7.81 0.00 3.45 3.14 35 S C C 61.74 8.39 12.69 22.09 107.42 59.78 -90.29 83.03 85.00 6.84 8.16 57.44 15.89 11.50 2.47 5.72 0.00 3.69 3.29 36 N C T 115.75 3.52 14.98 19.95 105.70 -104.33 -84.99 70.42 93.57 2.10 4.34 14.32 22.07 57.37 0.89 3.28 0.00 1.31 0.76 37 G C T 48.18 4.78 16.93 22.70 98.89 -45.50 83.27 4.22 95.69 2.58 1.72 14.68 24.73 56.26 0.18 1.67 0.00 2.11 0.38 38 M C C 32.09 20.07 10.07 29.11 120.26 126.86 -98.01 137.69 63.28 36.44 0.28 53.00 8.29 0.87 0.04 0.27 0.00 36.49 1.04 39 N E E 92.05 4.07 23.78 27.95 116.84 -152.18 -103.83 128.67 10.08 89.87 0.05 8.98 0.74 0.11 0.01 0.04 0.00 89.45 0.68 40 I E E 33.29 22.74 11.80 33.61 120.73 -161.31 -113.83 129.03 2.86 97.13 0.01 2.61 0.17 0.02 0.00 0.00 0.00 97.12 0.07 41 T E E 67.66 4.86 23.99 28.98 120.83 -169.48 -116.36 131.66 1.54 98.46 0.00 1.38 0.08 0.01 0.00 0.00 0.00 98.51 0.03 42 T E E 46.41 20.11 12.35 31.07 125.84 -166.70 -122.40 136.94 2.23 97.76 0.00 2.00 0.09 0.00 0.00 0.00 0.00 97.88 0.03 43 Q E E 90.99 5.34 22.17 28.37 125.86 -175.92 -125.97 136.30 3.30 96.70 0.00 2.87 0.24 0.01 0.00 0.00 0.00 96.82 0.05 44 L E E 80.76 12.39 17.12 29.78 115.80 -133.50 -91.63 129.10 7.00 92.99 0.01 6.75 0.21 0.01 0.00 0.00 0.00 92.29 0.72 45 L C C 30.20 16.26 12.16 28.93 119.68 -152.27 -100.48 141.31 51.24 48.73 0.03 48.97 1.43 0.07 0.01 0.02 0.00 48.65 0.85 46 P C C 66.37 4.47 17.77 23.01 114.72 -107.78 -67.49 151.27 79.95 19.66 0.39 73.39 4.67 1.07 0.09 0.33 0.00 18.85 1.60 47 R C T 152.02 6.82 11.74 20.21 93.75 -109.51 -62.98 -27.76 97.95 0.82 1.23 7.13 21.45 69.27 0.13 1.21 0.00 0.52 0.28 48 N C T 131.38 1.04 15.02 15.13 97.32 51.81 -90.85 8.83 98.46 0.46 1.08 11.00 18.30 68.98 0.11 1.15 0.00 0.27 0.18 49 S C C 32.56 13.50 7.62 21.12 115.29 127.92 -74.19 141.13 98.02 1.15 0.83 77.54 16.70 3.50 0.15 0.82 0.00 0.48 0.80 50 T C C 118.52 1.11 15.81 16.47 97.82 -162.19 -93.70 -7.00 99.09 0.67 0.24 54.15 41.64 3.31 0.04 0.22 0.00 0.27 0.38 51 E C S 104.24 4.33 15.94 21.84 122.09 89.93 -91.31 147.92 99.04 0.89 0.07 22.17 76.59 0.50 0.01 0.04 0.00 0.33 0.35 52 T C C 72.22 8.03 19.17 27.83 115.15 -100.02 -67.24 144.71 99.25 0.73 0.02 89.48 9.57 0.30 0.00 0.02 0.00 0.51 0.11 53 P C C 10.38 22.63 13.67 36.58 115.55 -108.77 -67.90 146.79 92.68 7.30 0.03 83.81 8.67 0.21 0.00 0.03 0.00 7.01 0.27 54 L E E 49.47 10.09 25.66 36.43 127.40 -159.51 -123.88 141.29 2.70 97.30 0.00 2.56 0.11 0.00 0.00 0.00 0.00 97.16 0.16 55 L E E 4.17 25.56 17.35 43.81 120.36 -154.88 -113.12 130.65 0.18 99.82 0.00 0.16 0.00 0.00 0.00 0.00 0.00 99.83 0.00 56 Y E E 62.38 9.39 26.55 36.84 117.64 -161.18 -109.96 125.92 0.03 99.97 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 57 V E E 3.73 24.97 16.56 42.56 121.22 -166.69 -115.59 130.32 0.04 99.96 0.00 0.03 0.00 0.00 0.00 0.00 0.00 99.97 0.00 58 K E E 66.42 7.33 24.50 32.61 117.60 -159.18 -109.86 127.09 0.07 99.93 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 59 F E E 16.76 19.06 12.39 31.88 123.71 -153.52 -89.71 164.81 14.99 84.99 0.02 15.41 0.23 0.03 0.00 0.01 0.00 83.90 0.42 60 K C T 121.07 7.29 14.65 23.27 91.69 -101.35 -61.91 -27.23 98.71 0.53 0.76 0.24 2.13 96.57 0.01 0.65 0.00 0.35 0.04 61 D C T 104.57 2.15 14.64 17.26 93.03 55.97 -86.60 2.12 99.13 0.08 0.79 0.12 1.84 97.30 0.02 0.68 0.00 0.04 0.02 62 G C S 49.05 3.42 13.74 18.49 97.21 -99.51 88.49 5.18 99.06 0.32 0.62 11.24 85.35 2.62 0.06 0.45 0.00 0.15 0.12 63 K C C 100.25 5.18 14.26 21.42 117.44 136.83 -77.75 143.65 96.38 3.60 0.02 96.33 0.57 0.05 0.00 0.01 0.00 2.79 0.25 64 E E E 105.89 9.13 14.87 25.67 123.18 -153.04 -117.38 136.59 0.83 99.17 0.00 0.81 0.02 0.00 0.00 0.00 0.00 99.07 0.09 65 M E E 39.78 15.17 15.78 31.71 126.15 -172.20 -124.78 138.04 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 66 N E E 91.15 7.30 21.01 29.56 119.52 -153.12 -109.09 129.11 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 67 L E E 18.60 20.22 14.44 34.67 129.10 -171.78 -130.60 143.54 1.36 98.64 0.00 1.28 0.03 0.00 0.00 0.00 0.00 98.63 0.05 68 D E E 61.73 5.67 23.76 29.96 107.75 -138.44 -95.36 109.76 23.54 76.44 0.01 23.13 0.40 0.03 0.00 0.01 0.00 76.08 0.35 69 V C T 11.76 23.73 11.88 35.91 93.19 -166.54 -67.84 -24.09 70.98 1.57 27.45 10.85 7.31 49.85 1.00 29.51 0.00 1.11 0.37 70 E C T 112.33 7.51 17.89 26.43 91.75 66.46 -70.87 -20.01 77.55 0.28 22.16 1.03 4.10 71.32 0.52 22.75 0.00 0.15 0.13 71 N C T 120.59 1.51 19.06 19.62 99.75 38.29 -103.33 -4.27 73.35 0.63 26.02 4.27 7.37 59.35 0.78 27.63 0.00 0.36 0.25 72 M C C 42.18 16.05 10.91 26.96 125.06 83.80 -110.10 147.93 97.82 1.70 0.47 51.86 45.76 0.44 0.27 0.14 0.00 0.50 1.04 73 G C C 29.30 4.58 22.55 26.92 124.90 -127.45 -86.49 168.04 89.69 9.72 0.59 85.58 3.12 0.13 0.57 0.05 0.00 1.59 8.96 74 I H H 42.00 19.52 13.99 33.12 91.46 -101.56 -59.15 -38.57 1.16 0.00 98.84 0.20 0.17 0.63 98.75 0.23 0.00 0.00 0.00 75 K H H 130.62 3.20 21.11 24.89 91.38 53.44 -63.02 -40.19 0.45 0.00 99.55 0.05 0.03 0.28 99.42 0.22 0.00 0.00 0.00 76 S H H 42.38 5.74 21.08 27.58 91.71 50.27 -65.26 -40.22 0.25 0.00 99.74 0.05 0.01 0.14 99.59 0.21 0.00 0.00 0.00 77 I H H 5.44 23.64 16.40 40.26 91.55 50.05 -63.69 -43.77 0.13 0.00 99.87 0.02 0.01 0.06 99.88 0.04 0.00 0.00 0.00 78 V H H 31.90 15.33 20.17 35.50 91.39 50.23 -62.44 -42.67 0.07 0.00 99.93 0.01 0.00 0.03 99.95 0.01 0.00 0.00 0.00 79 E H H 105.21 2.42 24.72 25.79 91.62 50.03 -64.05 -41.86 0.06 0.00 99.94 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 80 E H H 49.00 11.49 21.39 33.45 91.84 49.37 -64.45 -42.28 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 81 V H H 6.06 23.66 17.48 41.23 91.44 49.41 -63.91 -42.89 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 82 D H H 64.65 8.35 21.97 30.66 91.46 51.02 -63.29 -40.78 0.33 0.00 99.67 0.03 0.01 0.22 99.71 0.03 0.00 0.00 0.00 83 R H H 124.88 2.76 23.86 25.71 91.67 50.38 -64.63 -41.84 0.49 0.00 99.51 0.05 0.02 0.35 99.51 0.08 0.00 0.00 0.00 84 H H H 37.85 14.09 19.73 34.21 92.24 49.13 -65.42 -41.40 0.89 0.00 99.11 0.10 0.05 0.64 99.07 0.14 0.00 0.00 0.00 85 S H H 17.30 15.70 17.42 33.69 91.72 51.62 -64.01 -41.24 1.49 0.00 98.50 0.28 0.10 0.91 98.52 0.19 0.00 0.00 0.00 86 R H H 128.04 2.77 22.47 24.61 91.82 50.95 -64.41 -41.03 0.96 0.00 99.04 0.22 0.07 0.51 99.05 0.15 0.00 0.00 0.00 87 I H H 72.83 4.86 20.30 25.76 91.85 50.13 -64.55 -41.97 0.69 0.00 99.30 0.14 0.05 0.39 99.28 0.15 0.00 0.00 0.00 88 L H H 36.13 12.73 16.14 29.93 92.17 50.16 -64.66 -41.36 0.63 0.00 99.37 0.16 0.05 0.31 99.31 0.17 0.00 0.00 0.00 89 Q H H 89.27 5.76 17.82 24.48 91.93 51.32 -63.83 -41.28 0.85 0.00 99.14 0.23 0.07 0.42 99.13 0.15 0.00 0.00 0.00 90 K H H 119.16 1.94 18.07 19.27 92.20 49.65 -65.02 -41.33 1.30 0.01 98.70 0.32 0.11 0.69 98.67 0.21 0.00 0.00 0.00 91 Q H H 89.17 4.20 15.72 20.97 92.47 49.78 -65.60 -40.36 1.75 0.01 98.24 0.44 0.17 0.94 98.13 0.31 0.00 0.00 0.00 92 A H H 43.26 5.95 12.54 20.38 92.09 50.78 -65.29 -39.48 3.86 0.02 96.11 1.01 0.39 2.15 95.88 0.55 0.00 0.01 0.01 93 D H H 92.73 1.92 13.53 15.78 92.66 51.34 -66.60 -36.86 10.19 0.06 89.74 2.51 1.00 6.11 89.32 1.00 0.01 0.03 0.03 94 L H H 113.79 1.81 11.33 13.83 94.18 53.13 -69.67 -31.78 18.17 0.14 81.69 4.89 2.35 10.68 80.33 1.61 0.02 0.06 0.07 95 N H H 116.37 1.93 9.85 12.89 97.57 53.93 -80.29 -14.26 34.85 0.32 64.83 10.06 4.87 19.59 63.67 1.48 0.02 0.11 0.19 96 D C C 115.35 1.65 8.79 11.74 101.95 64.48 -81.93 4.75 68.20 0.25 31.55 36.27 2.29 26.53 33.56 1.11 0.00 0.09 0.15 97 G C C 54.83 2.50 11.22 15.16 105.72 -9.15 12.82 8.35 99.95 0.02 0.03 99.72 0.11 0.13 0.01 0.00 0.00 0.01 0.00