# 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 106.85 7.16 11.43 19.95 116.83 -154.16 -98.24 134.39 99.84 0.15 0.01 99.80 0.08 0.03 0.00 0.00 0.00 0.07 0.02 1 N C C 124.52 1.96 11.79 14.94 109.90 -150.79 -94.57 112.55 96.21 3.44 0.35 94.25 1.31 0.89 0.17 0.10 0.00 1.29 2.00 2 A C C 59.76 8.02 8.22 17.45 118.47 -150.82 -89.95 142.60 98.31 1.17 0.51 83.14 14.34 0.90 0.31 0.17 0.00 0.54 0.60 3 P C C 65.62 7.09 11.02 19.89 114.76 -105.05 -66.60 152.03 95.73 0.93 3.35 86.80 5.44 3.67 2.00 1.06 0.00 0.42 0.61 4 D C C 90.50 4.16 14.60 19.94 110.15 -102.08 -72.83 136.76 92.00 1.63 6.38 85.20 3.99 3.25 3.74 1.98 0.00 0.62 1.23 5 R H G 121.54 9.80 11.56 22.14 94.04 -133.09 -64.98 -26.39 44.18 1.24 54.58 12.70 9.39 21.79 20.04 34.78 0.04 0.68 0.57 6 F H G 107.48 8.69 13.21 22.86 94.03 66.29 -74.33 -15.06 37.98 1.70 60.32 8.15 7.31 21.82 21.68 39.28 0.10 1.03 0.63 7 E H G 102.49 6.66 14.69 22.55 96.84 69.42 -79.59 -9.77 29.79 3.27 66.93 12.70 6.22 11.69 20.43 45.91 0.04 2.30 0.70 8 L H G 73.71 10.56 14.16 25.33 102.82 80.05 -85.29 0.90 41.96 8.65 49.39 18.19 10.16 14.99 18.20 30.21 0.24 6.06 1.94 9 F C C 71.10 14.45 13.66 27.96 116.94 97.83 -105.74 124.37 43.42 25.03 31.55 22.44 9.75 13.69 11.51 18.87 0.42 19.25 4.06 10 I C C 93.28 6.95 17.48 25.61 118.01 -162.02 -106.31 126.60 58.10 34.39 7.50 41.15 10.78 4.29 5.00 3.33 0.10 22.02 13.33 11 L C C 46.65 16.09 10.07 25.81 120.11 -155.04 -96.82 135.87 88.39 11.41 0.20 69.17 19.25 0.57 0.10 0.12 0.00 8.87 1.92 12 P C C 73.14 4.16 14.41 19.77 116.03 -109.09 -69.23 157.43 98.52 1.32 0.16 93.59 4.25 0.82 0.05 0.10 0.00 0.73 0.46 13 D C T 124.54 1.61 12.15 14.73 103.88 -86.41 -64.56 118.34 99.12 0.36 0.52 2.91 10.64 85.57 0.06 0.46 0.00 0.21 0.15 14 D C T 128.68 0.98 13.40 14.02 96.56 20.97 58.47 7.48 99.37 0.22 0.40 4.38 8.90 86.03 0.04 0.44 0.00 0.15 0.06 15 V C C 48.95 12.08 8.71 21.57 116.98 116.79 -94.93 133.40 97.89 1.91 0.20 50.00 47.51 0.49 0.06 0.12 0.00 0.59 1.24 16 P C C 81.19 4.44 17.28 22.61 114.62 -113.81 -68.97 146.87 98.61 1.25 0.14 95.87 2.38 0.52 0.03 0.09 0.00 0.83 0.28 17 K C C 104.75 10.60 15.91 26.77 111.09 -109.08 -72.31 141.74 91.50 8.25 0.26 75.74 15.07 1.04 0.05 0.23 0.00 6.48 1.40 18 L E E 28.34 21.26 11.16 31.23 120.35 -112.10 -89.81 141.73 44.60 55.29 0.11 41.44 2.53 0.20 0.03 0.08 0.00 54.71 1.01 19 K E E 123.30 3.33 23.14 26.66 120.75 -151.18 -110.82 137.52 12.96 87.01 0.03 11.84 0.80 0.04 0.01 0.01 0.00 87.00 0.30 20 I E E 56.82 19.52 11.60 29.84 120.29 -152.35 -107.83 130.65 4.51 95.48 0.01 4.21 0.18 0.01 0.00 0.00 0.00 95.45 0.14 21 T E E 71.65 4.29 20.19 25.29 124.82 -175.30 -125.64 138.11 3.69 96.30 0.01 3.50 0.13 0.01 0.00 0.00 0.00 96.25 0.11 22 P E E 86.79 6.78 15.52 23.89 114.68 -109.85 -67.65 143.07 16.01 83.93 0.06 15.06 0.75 0.09 0.02 0.03 0.00 83.31 0.74 23 D C C 38.42 14.90 9.04 23.97 109.84 -127.71 -88.52 118.97 89.10 10.79 0.11 86.16 2.48 0.35 0.03 0.08 0.00 10.13 0.77 24 S C S 96.52 1.14 13.85 15.16 94.69 -162.46 -77.27 -17.56 99.10 0.76 0.15 8.23 77.69 13.26 0.01 0.13 0.00 0.54 0.14 25 R C S 170.58 1.56 14.21 15.82 97.67 51.48 -84.74 -28.92 99.15 0.72 0.13 2.33 85.90 11.08 0.01 0.09 0.00 0.45 0.13 26 V C S 48.12 11.23 9.88 22.17 115.70 32.16 -128.07 99.73 90.15 9.74 0.11 25.31 65.41 1.04 0.02 0.10 0.00 6.27 1.86 27 P C T 86.88 4.32 16.94 22.42 97.13 -158.10 -65.15 -21.95 93.76 5.84 0.40 1.83 9.10 83.52 0.01 0.42 0.00 4.67 0.44 28 N C T 72.37 10.62 17.05 28.21 96.42 37.76 -93.70 17.15 93.75 5.95 0.30 2.26 10.79 80.48 0.01 0.36 0.00 5.95 0.16 29 C E E 17.18 14.96 18.05 34.36 128.03 101.31 -117.82 146.55 31.66 68.30 0.05 26.60 3.84 0.21 0.00 0.04 0.00 68.88 0.43 30 I E E 10.64 19.74 19.38 39.64 127.97 -167.08 -124.57 143.30 1.07 98.93 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.94 0.05 31 I E E 30.99 12.23 25.04 38.50 117.95 -147.74 -109.52 127.30 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 32 I E E 4.78 24.32 19.16 44.11 120.04 -166.65 -113.66 128.00 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 33 K E E 58.19 10.35 26.27 37.27 118.45 -161.32 -110.54 127.63 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.88 0.00 34 F E E 10.97 22.95 16.21 39.39 121.21 -167.22 -111.77 131.28 1.16 98.84 0.00 1.17 0.02 0.00 0.00 0.00 0.00 98.73 0.07 35 E E E 79.34 7.77 21.67 29.88 117.96 -148.50 -97.11 138.51 35.50 64.34 0.16 14.45 19.25 1.69 0.02 0.13 0.00 64.16 0.30 36 R C S 139.48 4.75 21.82 26.93 95.69 5.66 59.09 44.52 84.30 15.29 0.41 11.46 67.21 4.80 0.05 0.33 0.00 15.42 0.73 37 E C C 54.74 18.83 12.57 30.03 118.00 154.44 -92.03 136.46 92.57 5.34 2.09 82.07 8.58 2.24 0.83 1.12 0.00 4.11 1.05 38 D C C 67.36 7.39 19.26 27.15 119.14 -149.97 -100.15 147.23 91.74 1.22 7.04 84.36 4.38 2.76 6.24 1.00 0.00 0.46 0.81 39 H H H 113.88 8.86 16.26 25.80 93.69 -111.93 -66.10 -28.36 31.52 0.28 68.21 8.80 8.59 14.44 66.17 1.71 0.03 0.09 0.16 40 T H H 73.72 4.20 21.26 25.27 92.69 56.50 -65.52 -41.37 15.16 0.10 84.73 3.08 2.74 9.46 83.25 1.34 0.03 0.04 0.06 41 L H H 22.82 18.37 19.02 36.91 92.33 50.13 -65.32 -42.21 3.70 0.02 96.28 0.87 0.53 2.07 95.75 0.76 0.00 0.01 0.01 42 A H H 6.19 22.05 17.68 39.74 91.17 51.81 -62.77 -42.40 1.05 0.00 98.95 0.25 0.12 0.52 98.84 0.27 0.00 0.00 0.00 43 N H H 74.43 5.07 24.71 29.94 91.39 51.37 -64.25 -40.70 0.39 0.00 99.61 0.07 0.03 0.19 99.61 0.09 0.00 0.00 0.00 44 L H H 48.31 9.35 23.52 33.63 91.43 50.77 -63.80 -42.59 0.17 0.00 99.83 0.02 0.01 0.09 99.84 0.04 0.00 0.00 0.00 45 L H H 2.78 26.03 19.48 45.65 91.53 49.38 -63.95 -43.04 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 46 R H H 72.77 17.00 22.00 37.42 91.05 51.66 -61.74 -42.39 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 47 E H H 100.92 3.34 25.52 28.16 91.66 50.34 -64.27 -41.70 0.11 0.00 99.89 0.00 0.00 0.08 99.86 0.05 0.00 0.00 0.00 48 E H H 47.53 12.83 21.61 34.58 92.11 49.43 -65.47 -41.33 0.28 0.00 99.72 0.01 0.01 0.23 99.56 0.19 0.00 0.00 0.00 49 L H H 3.74 25.69 15.04 41.07 91.15 50.96 -64.59 -39.75 1.33 0.00 98.67 0.03 0.04 1.27 97.78 0.89 0.00 0.00 0.00 50 A H H 52.20 10.50 18.62 29.63 90.66 56.21 -67.89 -24.16 29.73 0.01 70.26 0.32 0.37 30.37 67.66 1.26 0.00 0.00 0.01 51 L C T 115.33 2.80 20.64 23.41 92.93 57.46 -83.02 -11.97 75.94 0.02 24.04 0.76 1.45 74.29 22.12 1.33 0.00 0.01 0.02 52 Y C S 38.32 19.50 9.58 28.43 111.22 97.63 -86.67 120.96 99.56 0.31 0.13 40.25 58.99 0.35 0.08 0.03 0.00 0.08 0.22 53 P C T 110.90 1.87 20.10 22.03 92.78 -144.79 -65.96 -21.60 99.75 0.03 0.22 0.25 3.28 96.27 0.01 0.17 0.00 0.01 0.01 54 D C T 48.82 13.49 16.40 30.35 93.30 60.66 -85.25 -6.07 99.75 0.08 0.17 0.38 2.50 96.91 0.00 0.15 0.00 0.06 0.01 55 V E E 7.98 24.62 11.55 36.36 112.72 96.02 -86.52 120.99 4.77 95.23 0.01 4.36 0.30 0.01 0.00 0.00 0.00 94.89 0.42 56 T E E 59.56 7.58 23.74 32.08 99.95 175.74 -95.60 -31.80 6.34 93.66 0.00 4.30 1.43 0.03 0.00 0.00 0.00 94.20 0.03 57 F E E 58.98 10.90 25.05 36.54 140.80 3.29 -156.13 149.80 0.53 99.47 0.00 0.42 0.04 0.00 0.00 0.00 0.00 99.54 0.01 58 V E E 19.46 23.30 17.11 39.81 128.67 -169.62 -134.45 136.59 0.40 99.60 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.00 59 A E E 24.64 12.63 24.30 37.26 138.36 172.36 -144.68 159.46 0.57 99.43 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.46 0.01 60 Y E E 52.54 19.00 17.70 35.97 130.75 -158.14 -133.50 144.47 1.63 98.37 0.00 1.47 0.06 0.00 0.00 0.00 0.00 98.42 0.04 61 K E E 99.08 9.05 20.08 29.67 119.42 -150.93 -110.03 128.56 14.54 85.43 0.03 12.88 1.33 0.08 0.01 0.01 0.00 85.23 0.46 62 V C C 51.64 12.85 13.91 27.50 117.44 -167.75 -119.89 121.23 65.31 34.62 0.06 58.22 5.10 0.26 0.01 0.05 0.00 35.60 0.76 63 E C C 116.93 4.57 15.39 21.22 104.25 -150.38 -78.74 29.83 86.12 13.72 0.16 64.82 19.66 1.36 0.03 0.18 0.00 12.99 0.97 64 H C C 81.21 6.95 11.42 19.97 127.38 16.67 -131.11 143.94 88.67 10.78 0.55 53.51 31.37 4.20 0.11 0.54 0.00 6.03 4.24 65 P C T 101.35 3.90 11.64 17.01 92.83 -109.67 -64.23 -22.75 98.62 0.24 1.13 1.10 9.15 88.27 0.05 1.20 0.00 0.15 0.09 66 L C T 120.64 2.61 13.36 16.42 97.12 49.25 -88.13 -15.69 98.43 0.37 1.20 1.19 9.40 87.75 0.06 1.25 0.00 0.25 0.09 67 F C C 83.55 9.13 11.46 22.03 117.57 55.20 -117.58 120.39 84.84 13.56 1.60 40.60 40.27 4.51 0.27 1.50 0.00 6.85 6.00 68 A C S 58.10 7.33 15.49 24.14 96.72 -162.83 -74.83 -15.34 93.77 6.08 0.15 38.13 51.55 4.05 0.01 0.17 0.00 5.70 0.39 69 N C E 63.49 8.94 19.55 29.28 129.54 52.20 -128.72 146.71 53.35 46.55 0.10 35.32 16.30 1.61 0.01 0.11 0.00 46.02 0.63 70 F E E 18.82 20.61 15.84 36.55 126.19 -164.97 -122.24 143.39 12.09 87.90 0.01 11.69 0.24 0.01 0.00 0.00 0.00 87.84 0.22 71 V E E 33.66 10.89 24.28 36.44 118.88 -150.83 -111.85 128.96 0.98 99.02 0.00 0.81 0.05 0.00 0.00 0.00 0.00 99.12 0.02 72 M E E 7.79 23.95 18.53 42.82 120.42 -164.71 -112.69 130.18 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.86 0.00 73 R E E 62.36 11.48 26.55 38.54 119.54 -161.43 -112.73 128.55 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 74 L E E 5.05 24.86 19.17 44.50 122.59 -169.63 -115.47 131.53 0.49 99.51 0.00 0.46 0.01 0.00 0.00 0.00 0.00 99.52 0.01 75 Q E E 51.01 10.71 26.41 37.63 122.89 -163.67 -117.30 136.15 2.60 97.40 0.00 2.54 0.06 0.00 0.00 0.00 0.00 97.33 0.08 76 T E E 13.64 20.85 13.85 34.44 132.91 -155.26 -130.12 159.11 35.40 64.57 0.03 34.70 0.64 0.04 0.01 0.02 0.00 63.73 0.86 77 E C C 89.16 6.53 18.16 25.45 116.68 -102.99 -78.40 153.73 87.97 11.75 0.27 65.31 19.14 3.45 0.06 0.27 0.00 9.94 1.83 78 E C T 152.29 2.20 14.90 18.12 104.55 -71.73 -58.09 117.98 99.03 0.39 0.58 1.11 21.63 76.43 0.04 0.46 0.00 0.21 0.13 79 G C T 65.92 0.65 16.07 14.81 97.24 12.04 83.51 0.07 99.37 0.22 0.41 3.04 20.42 75.92 0.02 0.38 0.00 0.15 0.06 80 T C C 40.20 13.32 10.45 24.45 121.97 110.30 -101.26 142.07 95.14 4.63 0.23 49.39 45.22 0.55 0.11 0.09 0.00 1.17 3.46 81 R C C 117.73 4.25 23.15 27.11 118.30 -135.59 -90.32 148.41 99.75 0.19 0.06 98.86 0.94 0.03 0.04 0.01 0.00 0.06 0.07 82 P H H 13.81 23.39 13.79 37.00 91.77 -116.78 -58.51 -38.18 2.54 0.01 97.45 0.47 0.25 1.60 96.72 0.95 0.00 0.00 0.00 83 K H H 94.33 11.14 21.69 32.62 91.46 53.98 -62.89 -41.27 0.89 0.00 99.11 0.12 0.05 0.57 98.55 0.71 0.00 0.00 0.00 84 Q H H 91.97 3.08 25.70 27.98 91.52 48.86 -64.92 -41.13 0.22 0.00 99.78 0.03 0.01 0.12 99.31 0.52 0.00 0.00 0.00 85 A H H 6.50 17.86 19.06 37.91 91.47 50.19 -63.18 -43.52 0.09 0.00 99.91 0.01 0.00 0.04 99.88 0.06 0.00 0.00 0.00 86 L H H 7.02 24.15 19.79 43.38 91.51 49.52 -64.18 -42.72 0.06 0.00 99.94 0.01 0.00 0.03 99.94 0.02 0.00 0.00 0.00 87 E H H 87.94 8.41 24.35 32.94 91.43 50.32 -63.29 -42.35 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 88 R H H 127.62 3.18 26.41 29.25 91.72 48.50 -64.61 -41.29 0.05 0.00 99.95 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 89 A H H 6.90 18.64 20.34 39.46 91.73 49.51 -63.44 -43.57 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 90 C H H 11.51 20.52 20.59 40.59 91.42 49.90 -63.83 -42.40 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 91 A H H 54.57 4.32 24.68 28.89 91.34 50.53 -63.75 -41.84 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 92 S H H 47.32 5.36 23.51 29.09 91.76 49.39 -64.79 -41.37 0.19 0.00 99.81 0.01 0.01 0.13 99.83 0.02 0.00 0.00 0.00 93 I H H 13.06 19.55 18.38 38.02 91.83 49.88 -64.10 -43.16 0.15 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 94 I H H 49.61 12.34 19.65 32.44 91.67 50.20 -63.14 -42.26 0.11 0.00 99.89 0.01 0.00 0.07 99.89 0.02 0.00 0.00 0.00 95 N H H 93.14 1.88 22.85 22.86 91.57 49.90 -64.24 -41.66 0.29 0.00 99.71 0.02 0.01 0.20 99.72 0.05 0.00 0.00 0.00 96 K H H 89.68 7.01 19.89 27.52 92.08 49.30 -65.82 -40.29 0.46 0.00 99.54 0.04 0.02 0.34 99.54 0.07 0.00 0.00 0.00 97 L H H 32.72 15.44 15.52 31.28 92.14 51.34 -64.66 -40.63 0.54 0.00 99.46 0.08 0.04 0.34 99.45 0.10 0.00 0.00 0.00 98 K H H 112.99 3.40 19.41 23.08 91.71 51.70 -63.70 -40.60 0.78 0.00 99.21 0.14 0.05 0.47 99.22 0.12 0.00 0.00 0.00 99 T H H 72.91 2.19 19.24 20.51 91.78 49.80 -64.71 -41.76 0.91 0.00 99.09 0.14 0.06 0.56 99.09 0.15 0.00 0.00 0.00 100 L H H 55.38 8.17 16.13 25.73 92.28 49.58 -65.07 -41.48 0.77 0.00 99.22 0.14 0.06 0.44 99.18 0.18 0.00 0.00 0.00 101 D H H 65.59 6.95 16.00 24.14 91.73 51.57 -63.93 -40.59 1.12 0.00 98.87 0.22 0.08 0.64 98.86 0.19 0.00 0.00 0.00 102 H H H 116.01 1.64 18.04 18.47 91.95 50.08 -65.12 -40.84 1.74 0.01 98.26 0.32 0.15 1.06 98.19 0.27 0.00 0.00 0.00 103 K H H 111.73 2.56 17.20 19.76 91.94 49.93 -64.91 -41.07 2.04 0.01 97.95 0.41 0.19 1.21 97.82 0.36 0.00 0.00 0.00 104 F H H 81.43 6.81 14.33 22.52 92.42 49.34 -65.42 -41.25 2.36 0.02 97.62 0.77 0.28 1.20 97.21 0.54 0.00 0.01 0.00 105 N H H 84.31 3.14 16.12 19.77 92.02 50.91 -64.55 -40.76 2.46 0.02 97.52 0.84 0.28 1.23 97.04 0.59 0.00 0.01 0.00 106 E H H 110.18 1.74 16.70 17.66 92.17 49.98 -65.30 -40.90 3.49 0.03 96.48 0.94 0.41 2.03 95.59 1.00 0.00 0.02 0.01 107 E H H 92.41 3.59 15.26 19.73 92.32 50.54 -65.34 -40.54 5.60 0.04 94.37 1.31 0.63 3.45 93.31 1.27 0.00 0.02 0.01 108 W H H 117.01 4.34 14.03 19.51 92.55 49.49 -65.89 -39.61 11.09 0.14 88.77 3.84 1.63 5.73 86.77 1.89 0.01 0.06 0.06 109 N H H 87.77 2.34 15.07 17.68 92.66 52.40 -65.35 -39.97 19.67 0.37 79.96 9.78 2.58 7.54 77.70 2.07 0.01 0.18 0.15 110 I H H 94.70 2.32 13.90 16.70 92.72 50.88 -65.93 -39.99 20.95 0.47 78.57 11.17 3.37 7.25 74.85 2.93 0.01 0.24 0.17 111 K H H 113.38 2.90 13.12 16.90 93.23 51.15 -67.69 -37.88 21.30 0.65 78.05 12.08 3.43 6.87 73.57 3.46 0.01 0.36 0.23 112 N H H 90.89 2.94 12.42 16.34 94.28 52.36 -68.87 -35.38 25.45 0.80 73.75 14.62 3.86 8.24 68.77 3.76 0.02 0.44 0.29 113 F H H 128.35 2.29 11.14 14.35 94.97 54.40 -70.85 -33.78 26.88 0.83 72.29 14.18 5.04 9.18 66.78 4.04 0.03 0.44 0.32 114 S H H 76.52 2.07 10.20 13.27 96.81 54.29 -73.98 -25.73 35.18 0.86 63.96 17.13 6.03 13.37 59.11 3.54 0.03 0.41 0.39 115 L C H 119.79 2.10 8.85 12.25 99.38 58.61 -80.92 -15.40 51.45 0.86 47.68 20.83 10.23 21.47 43.10 3.50 0.04 0.35 0.48 116 N C C 120.62 1.78 8.56 11.65 102.76 64.99 -84.78 17.77 77.59 0.45 21.97 51.37 2.17 23.02 21.10 1.88 0.00 0.20 0.27 117 D C C 111.44 2.38 9.78 13.69 104.83 90.51 -85.37 56.11 99.93 0.02 0.05 99.75 0.10 0.11 0.03 0.00 0.00 0.01 0.00