# 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 110.62 6.93 12.01 20.24 114.31 -165.29 -94.96 127.94 99.83 0.16 0.01 99.78 0.08 0.03 0.00 0.00 0.00 0.08 0.02 1 N C C 118.28 2.73 12.08 16.29 111.53 -152.71 -97.36 116.58 96.06 3.61 0.33 93.06 1.86 1.33 0.14 0.12 0.00 1.45 2.04 2 A C C 60.68 8.10 9.06 18.45 118.07 -152.54 -90.88 139.10 98.87 0.99 0.15 82.12 16.35 0.48 0.07 0.06 0.00 0.46 0.45 3 P C C 62.51 7.50 11.16 20.45 116.93 -105.88 -65.94 154.20 98.85 0.29 0.86 93.46 4.26 1.31 0.39 0.28 0.00 0.12 0.17 4 P C C 86.73 4.20 14.68 20.07 111.65 -98.36 -66.11 150.01 87.41 0.83 11.76 75.83 5.36 6.71 4.56 6.61 0.00 0.40 0.53 5 A C C 66.42 8.23 12.56 21.83 99.43 -111.08 -69.33 -25.17 64.99 2.48 32.52 23.65 20.53 22.03 11.45 19.85 0.04 1.32 1.14 6 F C C 100.61 10.40 12.99 23.81 104.05 62.55 -87.26 10.14 51.27 11.85 36.88 22.90 13.21 17.08 14.85 20.86 0.23 8.19 2.69 7 E C C 103.78 7.49 15.11 23.57 104.66 108.82 -87.57 39.19 47.63 17.14 35.22 30.82 9.21 8.27 15.60 19.57 0.07 13.90 2.56 8 S C C 52.86 10.29 14.60 25.46 111.22 106.84 -98.21 95.21 51.15 21.43 27.43 32.70 10.05 8.85 14.20 13.39 0.11 18.16 2.54 9 F C C 83.27 12.72 14.19 27.01 110.43 154.68 -96.91 107.12 47.27 30.56 22.17 30.11 9.87 7.93 13.38 8.94 0.18 26.32 3.27 10 L C C 83.27 8.73 16.24 25.83 114.58 -170.50 -99.08 123.42 46.97 36.96 16.08 32.81 8.09 5.28 11.93 5.03 0.16 31.64 5.07 11 L C C 64.93 12.34 12.64 25.55 115.49 -164.85 -101.50 128.94 60.72 29.55 9.73 46.71 9.66 3.69 7.24 3.11 0.07 26.04 3.49 12 F C C 104.70 7.41 13.52 22.13 115.80 -135.48 -92.19 134.41 67.40 22.86 9.74 46.68 12.39 8.85 5.36 4.47 0.13 17.42 4.69 13 E C T 142.18 3.33 13.63 18.43 102.88 -46.22 -51.27 97.33 88.62 4.42 6.96 6.91 11.09 70.90 2.13 4.34 0.01 3.42 1.19 14 G C T 49.97 4.37 13.94 19.34 100.29 -7.96 83.34 -1.37 93.37 2.45 4.18 8.63 12.52 72.31 0.79 3.25 0.00 2.03 0.47 15 E C C 92.97 8.80 12.68 22.62 117.39 112.83 -92.67 137.86 74.92 21.62 3.47 54.99 13.23 6.30 1.04 2.70 0.01 17.21 4.53 16 K C C 95.77 10.32 14.62 25.67 118.16 -153.29 -103.07 135.52 66.08 31.59 2.33 50.84 10.87 3.92 0.77 1.48 0.00 30.15 1.96 17 K C E 111.86 7.25 20.21 27.93 114.27 -121.64 -88.68 129.93 52.39 46.19 1.41 42.72 6.76 1.94 0.39 0.85 0.00 46.22 1.11 18 I E E 22.01 22.95 11.38 33.60 120.23 -155.10 -103.27 133.28 28.54 71.13 0.33 26.43 1.39 0.26 0.14 0.14 0.00 71.12 0.52 19 T E E 67.31 5.32 24.20 29.79 123.64 -164.68 -117.05 138.56 6.88 93.00 0.11 6.24 0.43 0.08 0.05 0.04 0.00 92.82 0.32 20 I E E 50.69 19.35 13.20 31.66 119.15 -150.98 -107.17 129.07 5.72 94.16 0.12 5.11 0.42 0.08 0.06 0.05 0.00 93.85 0.44 21 N E E 76.97 6.77 18.44 26.19 120.02 -168.54 -111.60 133.42 15.89 83.79 0.33 14.21 1.35 0.33 0.12 0.16 0.00 83.05 0.76 22 K E E 129.75 6.20 15.59 23.38 114.57 -124.97 -86.84 135.36 47.78 51.12 1.11 33.82 11.40 3.32 0.21 0.90 0.00 49.43 0.91 23 D C C 60.84 11.09 11.27 23.12 108.64 -141.33 -93.84 107.13 88.22 10.87 0.91 70.30 12.40 4.68 0.15 0.94 0.00 10.66 0.88 24 T C C 97.28 3.96 12.65 18.35 97.35 -169.26 -82.72 -13.02 95.77 3.25 0.99 50.24 27.89 17.73 0.16 1.03 0.00 2.18 0.76 25 K C S 155.52 1.55 15.02 16.46 94.42 64.66 -77.24 -21.12 97.69 1.75 0.55 12.14 65.85 19.78 0.05 0.56 0.00 1.24 0.37 26 V C S 44.10 12.27 9.77 23.04 116.46 51.64 -117.16 113.50 92.93 6.85 0.22 23.32 69.17 1.47 0.05 0.15 0.00 3.36 2.48 27 P C T 86.25 4.16 18.23 23.07 108.66 -133.76 -65.48 135.42 96.77 2.55 0.68 3.27 12.48 81.04 0.04 0.72 0.00 2.07 0.38 28 N C T 67.89 11.95 17.42 29.58 96.22 14.19 65.78 21.91 96.09 3.38 0.53 3.24 14.29 78.33 0.02 0.60 0.00 3.33 0.18 29 A E E 14.74 15.58 18.90 35.52 128.57 103.07 -118.48 148.72 33.06 66.79 0.15 27.43 4.80 0.50 0.02 0.14 0.00 66.21 0.89 30 C E E 7.25 20.07 20.01 40.54 134.20 -175.07 -135.49 152.47 3.58 96.41 0.01 3.21 0.17 0.01 0.00 0.00 0.00 96.44 0.15 31 L E E 31.64 13.48 25.43 39.64 119.58 -141.49 -110.58 130.64 0.53 99.46 0.00 0.45 0.03 0.00 0.00 0.00 0.00 99.51 0.01 32 F E E 6.05 24.57 20.03 44.93 121.49 -167.40 -115.04 130.04 0.22 99.78 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 33 T E E 28.83 12.01 26.43 39.27 119.70 -161.75 -112.98 128.31 0.33 99.67 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 34 I E E 7.53 23.48 16.75 40.72 117.44 -161.50 -108.21 125.97 3.48 96.51 0.01 3.42 0.09 0.01 0.00 0.00 0.00 96.27 0.21 35 N C E 69.17 8.31 22.14 30.85 107.37 -159.36 -93.26 83.12 54.22 45.61 0.17 29.08 23.93 1.33 0.03 0.14 0.00 45.03 0.46 36 K C S 84.34 9.81 17.28 27.67 116.48 70.77 -106.04 121.22 87.23 10.71 2.06 32.91 45.99 8.89 0.45 1.44 0.00 9.05 1.26 37 E C T 111.66 8.98 14.71 24.51 95.85 -135.91 -68.59 -23.21 89.96 3.20 6.84 25.92 25.51 39.33 1.49 4.84 0.01 1.88 1.02 38 D C T 110.93 2.55 18.45 21.07 95.98 52.66 -86.47 3.63 90.69 1.42 7.90 28.12 23.48 39.71 2.44 4.88 0.00 0.72 0.64 39 H C C 50.55 16.33 13.20 29.20 109.51 96.86 -93.89 97.56 80.30 2.55 17.15 56.92 17.27 5.85 13.75 3.70 0.00 1.12 1.39 40 T H H 60.88 8.14 22.67 31.24 96.67 155.66 -71.81 -36.70 44.81 2.84 52.35 30.03 10.55 5.01 50.49 1.40 0.02 0.82 1.67 41 L H H 18.15 21.59 21.14 41.51 92.21 53.24 -63.74 -41.70 5.75 0.05 94.20 1.64 0.99 3.11 93.54 0.67 0.01 0.02 0.02 42 G H H 3.57 22.82 19.44 42.07 91.11 52.45 -62.65 -41.65 2.65 0.02 97.33 0.75 0.35 1.41 97.02 0.46 0.01 0.01 0.01 43 N H H 72.96 7.14 25.79 33.36 91.64 51.00 -65.14 -39.96 0.83 0.00 99.17 0.26 0.10 0.38 99.04 0.22 0.00 0.00 0.00 44 I H H 41.00 12.04 24.24 36.62 91.63 50.05 -64.48 -42.86 0.25 0.00 99.75 0.04 0.02 0.13 99.75 0.06 0.00 0.00 0.00 45 I H H 3.11 26.05 20.88 46.89 91.52 49.20 -64.10 -43.38 0.13 0.00 99.87 0.02 0.01 0.07 99.87 0.03 0.00 0.00 0.00 46 K H H 57.37 17.63 22.36 38.38 91.34 51.45 -61.87 -42.74 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.03 0.00 0.00 0.00 47 S H H 52.68 4.44 25.34 29.65 91.75 50.30 -64.33 -41.94 0.25 0.00 99.75 0.01 0.01 0.18 99.72 0.08 0.00 0.00 0.00 48 Q H H 42.35 13.01 21.85 35.00 92.23 49.19 -65.73 -41.22 0.60 0.00 99.40 0.02 0.02 0.50 99.17 0.28 0.00 0.00 0.00 49 L H H 3.67 25.68 15.24 41.23 91.33 50.22 -65.13 -40.03 2.28 0.00 97.72 0.06 0.09 2.14 96.34 1.37 0.00 0.00 0.00 50 L H H 77.02 11.19 18.60 30.04 91.40 54.44 -67.80 -25.45 32.27 0.02 67.72 0.46 0.54 32.26 64.94 1.76 0.00 0.01 0.02 51 K C T 147.22 1.99 20.82 22.34 92.94 56.89 -81.91 -10.92 71.76 0.04 28.20 0.86 1.77 69.52 25.98 1.81 0.00 0.01 0.04 52 D C C 24.08 19.34 9.34 28.13 109.82 98.37 -83.76 119.26 99.55 0.35 0.11 55.36 43.92 0.27 0.06 0.03 0.00 0.09 0.27 53 P C T 111.75 1.85 19.51 21.58 91.40 -149.88 -66.46 -20.03 99.77 0.02 0.21 0.19 2.72 96.91 0.00 0.15 0.00 0.01 0.01 54 Q C T 63.90 13.16 16.61 30.19 92.86 61.69 -82.89 -9.05 99.84 0.04 0.12 0.30 2.13 97.44 0.00 0.10 0.00 0.03 0.00 55 V E E 7.72 24.79 11.49 36.40 113.92 91.69 -88.58 123.64 6.24 93.75 0.01 5.62 0.46 0.01 0.00 0.00 0.00 93.25 0.64 56 L E E 71.10 7.87 23.69 32.39 98.73 176.60 -90.97 -33.90 8.80 91.19 0.00 5.62 2.55 0.04 0.00 0.00 0.00 91.73 0.04 57 F E E 62.61 10.34 25.40 36.40 142.20 1.86 -157.18 151.54 0.59 99.41 0.00 0.44 0.05 0.00 0.00 0.00 0.00 99.49 0.01 58 A E E 13.20 23.76 16.84 39.95 133.17 -172.09 -139.83 145.80 0.42 99.58 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.60 0.01 59 G E E 13.30 12.97 24.18 37.74 143.62 158.79 -158.27 173.13 0.60 99.40 0.00 0.52 0.03 0.00 0.00 0.00 0.00 99.44 0.01 60 Y E E 54.33 18.78 18.01 36.03 134.83 -143.34 -142.42 150.94 2.29 97.71 0.00 2.09 0.10 0.00 0.00 0.00 0.00 97.73 0.08 61 K E E 101.33 9.18 19.91 29.60 119.95 -147.42 -111.01 132.03 19.03 80.95 0.01 15.59 3.19 0.11 0.00 0.01 0.00 80.62 0.47 62 V C C 56.34 11.95 15.07 27.83 116.72 -163.27 -114.93 116.80 62.74 37.24 0.03 47.67 13.47 0.27 0.00 0.03 0.00 38.02 0.54 63 P C C 72.98 6.56 14.80 22.78 111.77 -127.02 -69.63 144.18 79.64 20.21 0.15 66.06 11.68 1.02 0.03 0.16 0.00 19.88 1.17 64 H C C 82.33 8.05 10.53 20.02 120.33 -117.73 -109.94 136.41 85.99 13.44 0.57 69.87 13.18 2.29 0.15 0.56 0.00 8.07 5.90 65 P C T 101.94 3.33 11.32 16.18 94.71 -113.44 -63.69 -23.35 95.23 0.61 4.16 2.34 12.30 80.04 0.21 4.49 0.00 0.40 0.21 66 L C T 128.86 2.04 11.72 14.03 98.48 42.42 -85.93 -9.14 94.18 0.99 4.84 2.99 11.94 78.69 0.32 5.04 0.00 0.68 0.33 67 E C S 91.25 6.60 11.48 19.59 117.92 53.53 -108.54 136.87 87.30 7.41 5.28 22.95 41.07 23.56 0.47 5.16 0.00 4.20 2.59 68 H C S 112.40 7.14 14.38 22.74 101.50 -140.36 -80.07 43.26 93.87 5.46 0.67 29.59 39.18 25.20 0.05 0.75 0.00 4.72 0.51 69 K C E 76.77 9.79 18.31 28.98 128.74 105.02 -121.57 148.42 51.75 48.09 0.16 40.07 10.82 0.99 0.03 0.16 0.00 46.66 1.28 70 I E E 17.93 19.39 16.49 36.25 121.20 -144.29 -110.59 134.53 10.50 89.49 0.01 10.21 0.21 0.01 0.00 0.00 0.00 89.32 0.24 71 I E E 34.13 11.71 23.85 36.82 117.76 -154.18 -108.64 126.99 0.96 99.04 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.10 0.03 72 I E E 6.53 24.18 18.77 43.42 119.28 -163.92 -111.69 128.04 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 64.50 11.57 26.80 38.83 118.25 -159.64 -106.59 127.11 0.46 99.54 0.00 0.44 0.00 0.00 0.00 0.00 0.00 99.55 0.01 74 V E E 3.42 25.62 18.84 45.21 121.52 -168.11 -113.98 131.52 2.30 97.70 0.00 2.35 0.02 0.00 0.00 0.00 0.00 97.59 0.04 75 Q E E 53.21 10.68 27.13 38.44 119.48 -160.83 -108.28 130.98 3.79 96.21 0.00 3.78 0.06 0.00 0.00 0.00 0.00 96.00 0.16 76 T E E 11.74 21.55 15.03 36.37 133.97 165.42 -131.65 160.34 29.10 70.89 0.01 29.01 0.53 0.01 0.00 0.00 0.00 69.22 1.22 77 T C C 39.13 8.23 18.45 28.13 119.09 -104.14 -74.84 156.47 92.84 7.13 0.03 90.09 2.90 0.15 0.01 0.02 0.00 6.08 0.76 78 P C T 101.00 4.96 14.29 21.07 91.40 -104.58 -62.26 -25.09 99.63 0.13 0.24 0.62 11.39 87.68 0.01 0.20 0.00 0.07 0.04 79 D C T 128.11 0.64 16.91 15.30 94.84 50.09 -89.53 -6.62 99.72 0.06 0.22 0.95 9.51 89.28 0.01 0.19 0.00 0.04 0.02 80 Y C S 62.73 13.47 10.72 24.83 127.00 61.72 -120.55 146.85 95.27 4.47 0.26 34.94 59.56 0.76 0.09 0.13 0.00 1.38 3.15 81 S C C 49.92 4.09 22.29 26.00 120.43 -128.87 -86.45 158.07 99.65 0.29 0.07 98.57 1.12 0.04 0.05 0.01 0.00 0.13 0.08 82 P H H 24.40 21.35 13.72 34.63 91.46 -111.85 -58.43 -37.26 2.87 0.01 97.12 0.41 0.28 1.96 96.23 1.10 0.00 0.00 0.00 83 Q H H 94.23 8.59 21.17 30.30 91.64 53.94 -63.09 -41.28 1.09 0.00 98.91 0.13 0.06 0.74 98.17 0.90 0.00 0.00 0.00 84 E H H 103.55 2.95 25.05 27.14 91.67 48.29 -65.57 -40.90 0.31 0.00 99.69 0.05 0.02 0.19 98.97 0.77 0.00 0.00 0.00 85 A H H 6.56 18.72 17.96 37.51 91.57 50.38 -63.20 -43.59 0.20 0.00 99.80 0.03 0.01 0.11 99.67 0.18 0.00 0.00 0.00 86 F H H 18.94 21.91 20.09 41.12 91.86 49.30 -64.20 -42.17 0.24 0.00 99.76 0.03 0.01 0.15 99.74 0.07 0.00 0.00 0.00 87 T H H 63.21 6.24 24.40 30.89 91.65 50.12 -63.80 -42.49 0.18 0.00 99.82 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 88 N H H 77.53 4.34 25.55 29.69 91.91 48.45 -65.23 -41.47 0.22 0.00 99.78 0.02 0.01 0.15 99.80 0.03 0.00 0.00 0.00 89 A H H 5.04 20.53 19.05 40.04 91.70 50.07 -63.53 -43.40 0.24 0.00 99.76 0.02 0.01 0.16 99.78 0.03 0.00 0.00 0.00 90 I H H 27.23 18.15 21.09 38.59 91.52 49.64 -63.41 -42.62 0.19 0.00 99.80 0.02 0.01 0.11 99.83 0.02 0.00 0.00 0.00 91 T H H 76.26 2.89 25.05 27.00 91.72 49.58 -64.18 -42.19 0.12 0.00 99.88 0.01 0.00 0.06 99.90 0.01 0.00 0.00 0.00 92 D H H 61.34 7.07 22.88 30.29 91.94 48.69 -65.13 -41.41 0.13 0.00 99.87 0.01 0.00 0.08 99.89 0.02 0.00 0.00 0.00 93 L H H 9.19 22.20 17.32 39.43 91.52 50.11 -64.11 -43.03 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 94 I H H 63.99 10.99 20.60 31.83 91.58 49.96 -63.04 -42.10 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 95 S H H 63.51 1.96 23.40 23.38 91.69 50.16 -64.15 -42.00 0.31 0.00 99.69 0.03 0.01 0.20 99.72 0.04 0.00 0.00 0.00 96 E H H 63.98 10.10 19.81 30.55 92.13 49.28 -65.36 -41.24 0.49 0.00 99.51 0.04 0.02 0.36 99.51 0.08 0.00 0.00 0.00 97 L H H 24.91 17.55 16.31 33.96 91.83 50.58 -64.51 -41.07 0.73 0.00 99.27 0.08 0.04 0.50 99.24 0.14 0.00 0.00 0.00 98 S H H 56.39 3.56 20.65 24.18 91.39 51.88 -63.61 -40.68 1.48 0.00 98.52 0.20 0.08 0.99 98.56 0.18 0.00 0.00 0.00 99 L H H 83.65 2.76 20.13 22.36 91.78 50.39 -64.31 -41.71 1.19 0.00 98.80 0.17 0.07 0.77 98.82 0.16 0.00 0.00 0.00 100 L H H 41.42 11.25 16.44 28.93 92.10 50.34 -64.80 -41.92 0.54 0.00 99.46 0.12 0.04 0.29 99.43 0.12 0.00 0.00 0.00 101 E H H 77.49 7.92 16.77 25.81 91.58 51.14 -63.55 -41.19 0.43 0.00 99.57 0.08 0.02 0.23 99.57 0.09 0.00 0.00 0.00 102 E H H 110.71 1.74 19.23 19.63 91.78 50.28 -64.66 -40.99 0.56 0.00 99.44 0.09 0.03 0.34 99.43 0.10 0.00 0.00 0.00 103 R H H 123.16 3.40 17.68 21.40 91.91 50.05 -64.79 -41.28 0.48 0.00 99.52 0.07 0.03 0.30 99.52 0.09 0.00 0.00 0.00 104 F H H 75.21 8.52 14.86 24.56 92.34 49.73 -65.32 -41.15 0.45 0.00 99.55 0.09 0.03 0.25 99.54 0.09 0.00 0.00 0.00 105 R H H 128.15 3.06 17.08 20.60 91.73 50.70 -63.79 -41.47 0.44 0.00 99.56 0.09 0.03 0.24 99.56 0.08 0.00 0.00 0.00 106 V H H 79.26 1.85 17.15 18.19 91.61 49.55 -64.31 -41.82 0.62 0.00 99.38 0.12 0.05 0.35 99.37 0.12 0.00 0.00 0.00 107 A H H 42.71 4.20 14.51 20.28 91.80 50.63 -64.19 -41.11 1.34 0.00 98.65 0.22 0.09 0.80 98.65 0.23 0.00 0.00 0.00 108 I H H 73.56 4.66 13.25 19.41 92.29 49.30 -65.09 -40.81 2.82 0.02 97.16 0.65 0.29 1.63 96.93 0.48 0.00 0.01 0.00 109 K H H 124.02 1.64 14.03 15.62 92.14 50.89 -64.84 -39.80 4.66 0.03 95.31 1.28 0.57 2.59 94.72 0.80 0.00 0.01 0.01 110 D H H 97.49 1.47 12.73 14.16 92.97 50.25 -66.82 -36.82 10.83 0.06 89.10 2.71 1.27 6.56 87.97 1.44 0.01 0.03 0.03 111 K H H 131.27 2.60 10.63 14.43 93.86 51.44 -70.07 -31.09 18.95 0.13 80.92 5.29 2.62 11.08 78.89 1.99 0.02 0.06 0.07 112 Q H H 130.55 1.89 9.66 12.71 96.37 56.27 -75.24 -22.09 35.16 0.38 64.45 13.39 5.57 16.56 62.31 1.79 0.02 0.14 0.22 113 E C C 146.83 1.30 9.32 11.38 99.80 60.96 -82.59 -5.75 66.52 0.27 33.21 42.12 1.78 19.56 35.26 1.02 0.00 0.10 0.17 114 G C C 52.77 2.41 11.74 15.49 109.09 -105.89 80.50 -168.15 99.97 0.01 0.02 99.77 0.09 0.12 0.01 0.00 0.00 0.01 0.00