# 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 102.35 8.06 12.14 21.29 116.61 -162.12 -98.75 133.65 99.89 0.10 0.01 99.81 0.09 0.03 0.00 0.00 0.00 0.05 0.01 1 D C C 111.14 2.49 12.65 16.54 112.48 -151.65 -95.16 121.15 95.35 4.16 0.48 94.12 0.78 1.02 0.17 0.15 0.00 2.07 1.68 2 Y C C 110.58 9.64 8.44 18.92 116.80 -156.01 -96.68 130.65 96.02 3.18 0.79 78.69 15.64 1.75 0.33 0.42 0.00 1.93 1.23 3 P C C 84.84 4.44 12.35 18.36 111.77 -120.05 -74.30 144.76 95.32 2.37 2.31 83.57 6.98 4.96 0.73 1.41 0.00 1.63 0.72 4 K C C 131.99 5.23 10.64 17.67 113.00 -131.73 -90.39 132.17 89.01 6.35 4.64 72.94 10.36 5.37 1.69 2.89 0.00 3.46 3.30 5 K C C 138.18 3.72 11.24 16.82 114.14 -155.35 -93.83 133.75 90.25 4.72 5.03 70.04 13.08 7.17 1.73 3.19 0.00 2.98 1.80 6 N C C 107.50 4.49 10.81 17.07 111.97 -122.52 -87.36 126.24 90.52 4.11 5.36 60.44 16.51 13.67 1.53 3.81 0.00 2.55 1.47 7 Q C C 124.03 4.24 10.68 16.61 109.37 -147.33 -89.88 108.50 91.61 3.37 5.01 52.19 25.98 13.63 1.40 3.55 0.00 1.76 1.48 8 A C C 70.80 4.37 11.45 17.61 118.26 -110.48 -94.64 142.97 94.01 2.73 3.26 54.36 33.61 6.20 1.00 2.14 0.00 1.28 1.41 9 A C C 68.33 5.47 12.71 19.75 115.46 -102.13 -72.26 145.91 96.71 1.46 1.82 76.07 18.38 2.43 0.73 0.95 0.00 0.75 0.69 10 P C C 74.22 8.80 11.73 21.73 113.19 -103.39 -67.79 148.07 92.99 1.85 5.16 82.06 6.14 5.13 1.59 3.21 0.00 1.08 0.79 11 A C C 62.35 7.76 12.59 21.58 109.00 -112.72 -75.50 141.31 84.71 3.76 11.53 63.27 10.63 10.14 2.15 10.14 0.00 2.32 1.36 12 E C C 137.26 3.52 15.34 20.17 110.26 -110.47 -82.12 128.61 82.37 5.35 12.27 33.48 25.90 23.87 1.56 10.48 0.01 3.41 1.27 13 G C C 36.45 8.23 15.69 24.79 113.76 17.50 103.84 3.43 74.39 17.09 8.53 36.07 18.92 20.40 0.89 7.66 0.01 14.80 1.25 14 Q E E 52.22 14.66 15.38 30.15 122.70 -134.85 -109.75 142.20 44.72 53.98 1.30 35.38 8.26 1.77 0.25 1.11 0.00 51.88 1.35 15 T E E 51.53 11.02 20.94 32.42 124.46 -157.08 -118.45 137.02 14.71 85.20 0.08 13.22 1.38 0.12 0.03 0.05 0.00 84.60 0.61 16 V E E 14.02 21.64 16.78 38.65 122.33 -162.54 -117.05 131.54 3.66 96.34 0.01 3.57 0.11 0.01 0.00 0.00 0.00 96.21 0.10 17 R E E 93.38 9.40 24.41 34.20 119.08 -159.67 -111.74 126.28 1.78 98.21 0.00 1.74 0.04 0.00 0.00 0.00 0.00 98.18 0.03 18 L E E 8.84 23.87 17.43 41.58 120.93 -167.25 -114.51 129.70 0.95 99.05 0.00 0.98 0.01 0.00 0.00 0.00 0.00 98.99 0.01 19 T E E 42.94 9.81 26.26 36.80 119.03 -162.68 -113.55 127.60 0.57 99.43 0.00 0.56 0.01 0.00 0.00 0.00 0.00 99.41 0.01 20 I E E 5.29 25.31 17.63 43.58 123.23 -169.72 -116.78 134.49 0.99 99.01 0.00 1.00 0.01 0.00 0.00 0.00 0.00 98.96 0.02 21 T E E 49.98 9.61 26.29 36.29 127.00 -171.56 -123.01 141.37 3.80 96.19 0.01 3.66 0.13 0.01 0.00 0.00 0.00 96.06 0.15 22 S E E 10.64 20.74 14.88 35.60 138.73 163.14 -148.53 159.68 25.67 74.29 0.04 24.96 0.87 0.06 0.01 0.03 0.00 72.58 1.48 23 R C S 149.37 4.79 20.71 26.33 94.94 -133.98 -81.87 -16.15 99.14 0.82 0.04 2.47 95.90 0.99 0.00 0.01 0.00 0.55 0.07 24 N C C 72.07 6.97 19.39 27.34 110.55 58.32 -113.24 101.93 99.05 0.78 0.16 62.66 35.67 0.85 0.08 0.06 0.00 0.31 0.37 25 A H H 40.48 15.61 13.82 29.51 93.62 -169.57 -63.04 -36.27 2.70 0.01 97.29 0.59 0.44 1.47 96.56 0.93 0.00 0.00 0.00 26 K H H 141.87 1.60 21.84 22.39 91.73 55.25 -64.28 -40.65 1.37 0.00 98.63 0.13 0.13 1.03 97.74 0.97 0.00 0.00 0.00 27 A H H 31.32 8.54 19.09 29.11 91.97 49.25 -65.28 -40.32 0.82 0.00 99.17 0.16 0.07 0.50 98.13 1.13 0.00 0.00 0.00 28 V H H 4.55 24.76 14.34 39.30 91.45 51.25 -63.55 -43.14 0.29 0.00 99.71 0.06 0.02 0.14 99.63 0.15 0.00 0.00 0.00 29 E H H 86.25 10.16 22.02 32.11 91.45 51.45 -62.91 -41.65 0.12 0.00 99.88 0.02 0.00 0.06 99.90 0.02 0.00 0.00 0.00 30 S H H 63.20 2.35 25.62 26.46 91.61 49.97 -64.30 -41.84 0.12 0.00 99.88 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 31 V H H 15.13 17.43 20.97 38.54 91.57 48.81 -64.17 -43.38 0.10 0.00 99.90 0.01 0.00 0.07 99.92 0.01 0.00 0.00 0.00 32 T H H 6.41 23.59 19.07 42.40 91.40 50.61 -63.64 -42.79 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 33 S H H 52.31 5.31 24.24 29.69 91.40 51.50 -63.39 -41.61 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.01 0.00 0.00 0.00 34 Q H H 82.83 5.18 24.70 29.93 91.63 49.80 -64.90 -41.56 0.12 0.00 99.88 0.01 0.00 0.09 99.89 0.01 0.00 0.00 0.00 35 L H H 6.09 23.01 19.40 42.33 91.64 49.57 -63.87 -43.54 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 36 L H H 30.52 17.17 20.27 37.00 91.67 50.43 -62.93 -42.73 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 37 T H H 74.62 2.23 24.35 24.82 91.55 49.60 -63.77 -42.07 0.32 0.00 99.68 0.03 0.01 0.21 99.71 0.04 0.00 0.00 0.00 38 R H H 70.86 8.53 20.35 29.89 92.13 49.49 -65.26 -41.18 0.61 0.00 99.39 0.04 0.03 0.42 99.43 0.08 0.00 0.00 0.00 39 A H H 5.17 21.32 12.52 34.15 91.71 51.07 -63.93 -41.88 1.09 0.01 98.91 0.17 0.08 0.67 98.83 0.24 0.00 0.00 0.00 40 R H H 140.21 4.82 17.10 23.31 91.69 50.81 -63.87 -40.13 1.81 0.01 98.18 0.16 0.09 1.38 97.82 0.54 0.00 0.00 0.00 41 D H H 115.13 1.16 17.13 17.28 91.04 52.12 -65.89 -29.20 7.25 0.01 92.74 0.21 0.25 6.76 92.32 0.45 0.01 0.00 0.01 42 E C T 85.62 8.48 12.98 22.89 95.35 46.97 -93.48 5.63 81.90 0.04 18.07 0.47 1.77 78.51 18.55 0.65 0.00 0.01 0.04 43 K C T 169.27 1.11 18.84 18.82 93.50 -117.75 59.57 38.29 99.80 0.01 0.19 1.85 1.18 96.86 0.07 0.03 0.00 0.01 0.00 44 V C C 19.96 20.45 9.14 28.83 118.40 152.63 -98.47 136.12 98.50 1.48 0.02 97.19 1.46 0.05 0.00 0.01 0.00 1.19 0.10 45 T C C 84.45 3.28 24.11 26.90 110.98 -127.74 -83.56 125.77 56.24 43.73 0.03 55.43 0.72 0.06 0.01 0.02 0.00 43.23 0.54 46 I E E 33.25 22.50 10.50 31.75 120.08 -165.29 -110.23 130.50 9.80 90.18 0.02 10.14 0.19 0.01 0.02 0.01 0.00 85.83 3.79 47 H E E 117.07 4.50 20.41 25.49 109.31 -172.40 -105.58 41.17 21.05 78.92 0.03 18.14 2.26 0.13 0.01 0.02 0.00 78.66 0.79 48 G E E 29.21 5.23 21.01 26.94 134.07 -38.07 118.29 -174.51 41.90 58.09 0.01 17.40 24.12 0.33 0.00 0.01 0.00 57.89 0.24 49 P E E 57.93 14.84 15.67 30.16 115.73 -51.97 -71.11 144.62 49.56 50.42 0.02 45.06 2.78 0.08 0.00 0.02 0.00 51.48 0.57 50 V E E 37.10 14.85 16.81 32.43 121.83 -157.98 -116.64 131.04 15.68 84.30 0.03 14.77 0.63 0.03 0.02 0.01 0.00 76.03 8.51 51 R E E 138.53 6.33 21.32 28.85 114.71 -128.78 -84.18 131.86 34.59 65.39 0.01 34.47 0.70 0.03 0.00 0.01 0.00 60.58 4.20 52 L C C 26.70 21.60 11.84 32.53 118.42 -134.31 -85.24 143.28 90.22 9.77 0.01 88.93 1.85 0.04 0.00 0.01 0.00 8.80 0.37 53 P C C 57.71 7.19 19.00 27.13 115.53 -103.00 -66.45 152.32 93.38 6.56 0.06 87.86 5.13 0.30 0.01 0.06 0.00 6.19 0.45 54 T C C 78.51 10.18 14.60 25.41 113.27 -122.45 -87.90 131.69 63.15 36.70 0.15 50.32 11.53 0.55 0.03 0.16 0.00 36.20 1.20 55 R E E 114.24 7.74 15.98 24.95 123.04 -151.57 -111.41 141.99 15.32 84.59 0.09 12.51 2.46 0.20 0.02 0.07 0.00 84.34 0.39 56 T E E 68.17 9.24 15.20 25.61 120.35 -150.39 -110.78 132.81 2.62 97.35 0.02 2.43 0.14 0.02 0.01 0.01 0.00 97.31 0.08 57 L E E 50.99 12.64 13.98 27.68 121.35 -164.02 -112.15 136.28 0.86 99.13 0.00 0.78 0.04 0.00 0.00 0.00 0.00 99.15 0.02 58 K E E 113.60 6.24 17.89 25.46 119.08 -156.80 -110.46 131.25 0.56 99.44 0.00 0.48 0.03 0.00 0.00 0.00 0.00 99.47 0.01 59 I E E 45.49 14.31 13.47 28.60 121.63 -166.78 -115.75 133.17 1.13 98.87 0.01 1.03 0.04 0.00 0.00 0.00 0.00 98.90 0.02 60 T E E 58.68 7.11 17.58 26.08 122.68 -163.05 -113.06 142.46 4.60 95.37 0.04 4.17 0.25 0.04 0.01 0.01 0.00 95.41 0.10 61 T E E 49.14 12.87 13.26 26.78 123.51 -159.61 -114.07 140.25 10.76 89.11 0.14 9.38 1.23 0.21 0.04 0.08 0.00 88.42 0.63 62 R E E 126.59 6.17 15.20 22.74 117.25 -137.65 -96.35 137.82 24.49 75.26 0.25 20.38 4.10 0.63 0.07 0.19 0.00 73.37 1.27 63 K C C 124.05 5.66 13.55 20.86 115.67 -122.41 -87.93 136.26 56.08 43.63 0.29 47.01 7.71 0.72 0.10 0.24 0.00 40.65 3.56 64 T C C 48.42 8.98 9.72 20.34 118.20 -123.52 -85.59 147.78 90.62 9.05 0.33 82.50 6.92 1.05 0.09 0.26 0.00 7.45 1.73 65 P C T 106.45 2.45 12.22 15.91 93.08 -123.40 -65.83 -20.55 94.41 1.59 4.00 8.90 25.40 59.88 0.38 3.86 0.00 1.11 0.47 66 C C T 86.78 3.44 9.95 14.77 98.51 59.55 -89.40 -2.05 92.56 2.19 5.25 7.56 25.77 59.13 0.57 4.72 0.00 1.27 0.97 67 G C S 46.83 3.42 10.54 15.50 110.33 -96.19 87.11 -18.62 87.46 3.66 8.88 19.46 42.42 25.58 0.99 7.90 0.01 1.85 1.79 68 N C T 122.86 1.80 10.88 13.60 103.63 48.66 -86.03 18.03 87.65 2.43 9.92 19.14 26.22 42.25 1.23 8.74 0.00 1.33 1.09 69 G C T 55.26 2.55 10.90 14.63 100.59 -63.84 81.94 1.73 84.72 4.37 10.91 22.98 28.62 33.56 1.25 9.59 0.01 2.31 1.68 70 T C C 82.55 3.87 10.51 16.12 114.84 113.97 -92.65 141.85 83.07 7.76 9.17 35.55 30.24 18.01 1.29 7.99 0.01 4.81 2.10 71 N C C 114.51 3.47 12.67 17.65 103.31 -101.35 -82.98 46.41 80.25 14.84 4.91 48.08 18.74 13.56 0.65 4.75 0.00 12.27 1.94 72 T C C 61.23 7.48 11.67 20.88 122.34 137.61 -108.38 143.53 62.13 36.92 0.95 51.16 8.29 1.70 0.25 0.81 0.00 34.79 3.01 73 W E E 116.27 9.69 12.36 23.25 120.87 -140.68 -104.22 140.29 30.81 69.01 0.18 26.39 3.41 0.56 0.05 0.15 0.00 67.58 1.87 74 D E E 69.95 8.16 15.28 24.66 117.83 -156.84 -103.89 137.61 16.49 83.46 0.05 13.82 1.95 0.22 0.01 0.04 0.00 83.63 0.33 75 T E E 67.31 8.94 15.21 25.32 122.62 -141.49 -112.94 137.84 7.42 92.57 0.01 6.75 0.39 0.03 0.00 0.01 0.00 92.66 0.16 76 F E E 51.75 13.48 13.68 28.29 126.12 -168.94 -121.34 144.79 3.08 96.92 0.00 2.88 0.07 0.00 0.00 0.00 0.00 96.98 0.06 77 E E E 94.95 7.21 18.45 26.79 119.53 -147.00 -106.21 135.12 1.53 98.47 0.00 1.39 0.04 0.00 0.00 0.00 0.00 98.55 0.03 78 L E E 39.45 16.15 14.51 30.88 125.40 -167.90 -117.40 140.98 1.76 98.24 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.33 0.02 79 K E E 81.83 9.04 19.63 29.60 117.79 -147.81 -105.46 129.29 1.20 98.80 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.87 0.02 80 I E E 36.82 15.45 17.10 33.23 120.49 -163.23 -112.82 129.10 1.91 98.09 0.00 1.71 0.09 0.01 0.00 0.00 0.00 98.15 0.04 81 Y E E 51.28 12.98 18.88 32.95 121.86 -164.71 -114.02 134.58 4.01 95.99 0.01 3.55 0.26 0.02 0.00 0.00 0.00 96.09 0.07 82 K E E 76.11 13.39 20.05 33.19 126.43 -167.56 -119.59 139.07 7.64 92.35 0.01 6.90 0.42 0.02 0.00 0.00 0.00 92.56 0.09 83 R E E 41.95 17.19 18.81 35.87 125.43 -163.77 -121.04 137.93 4.16 95.83 0.00 3.95 0.14 0.01 0.00 0.00 0.00 95.85 0.06 84 I E E 42.13 12.05 22.96 35.85 119.20 -155.15 -110.47 127.75 0.83 99.17 0.00 0.76 0.03 0.00 0.00 0.00 0.00 99.19 0.02 85 I E E 8.10 23.03 18.37 41.76 119.91 -165.34 -114.91 127.56 0.24 99.76 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 86 D E E 49.80 9.46 25.91 35.91 115.09 -156.88 -102.81 123.41 0.65 99.34 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 87 L E E 10.08 23.41 15.20 38.82 118.03 -164.57 -107.11 129.00 9.56 90.34 0.10 8.94 0.48 0.09 0.04 0.05 0.00 90.03 0.38 88 H E E 89.66 7.75 21.92 29.96 112.52 -159.76 -97.45 120.17 48.72 51.13 0.15 29.20 19.68 1.10 0.03 0.13 0.00 48.89 0.99 89 A C S 43.10 9.52 17.98 28.33 122.00 15.89 -122.38 138.22 87.49 12.35 0.16 26.85 59.38 1.29 0.04 0.10 0.00 11.77 0.56 90 P C C 59.28 11.44 15.24 27.22 109.31 -103.29 -69.28 139.20 95.37 2.54 2.10 83.08 9.38 3.20 1.17 0.74 0.00 1.82 0.60 91 T C C 53.27 9.31 14.27 24.77 122.24 -161.40 -106.01 163.79 79.22 0.88 19.89 59.41 12.83 5.44 19.59 1.87 0.00 0.35 0.51 92 E H H 136.30 2.17 17.59 19.79 93.46 -101.43 -63.39 -34.39 22.59 0.30 77.11 8.85 6.22 8.48 73.86 2.30 0.03 0.12 0.14 93 Q H H 60.72 10.88 16.46 28.12 92.98 53.64 -66.69 -39.46 10.49 0.30 89.22 4.29 1.76 4.64 86.83 2.19 0.02 0.17 0.09 94 V H H 14.88 20.49 13.28 33.39 92.10 51.45 -65.22 -41.23 3.87 0.20 95.94 1.61 0.61 1.77 93.63 2.17 0.01 0.16 0.03 95 K H H 108.14 5.79 19.20 25.86 91.80 53.24 -63.59 -39.97 2.71 0.16 97.14 0.96 0.38 1.42 94.52 2.55 0.01 0.15 0.02 96 K H H 109.35 4.10 20.32 24.74 92.11 51.64 -65.65 -39.05 4.00 0.23 95.76 1.15 0.50 2.40 92.07 3.59 0.02 0.23 0.03 97 I H H 21.61 20.01 15.52 35.02 92.97 50.09 -67.96 -37.09 5.74 0.35 93.91 1.29 0.70 3.71 89.95 3.95 0.04 0.31 0.05 98 T H H 44.45 16.03 16.05 31.48 93.11 58.54 -72.54 -21.05 22.37 0.81 76.83 2.96 2.35 16.73 73.42 3.60 0.15 0.54 0.24 99 S C T 78.90 2.60 20.38 22.89 96.97 55.66 -90.09 -2.89 59.05 2.02 38.92 8.86 5.51 42.53 35.93 5.08 0.13 1.28 0.68 100 F C C 62.45 15.86 11.15 26.89 117.73 109.84 -81.07 140.97 87.22 10.73 2.04 57.86 27.44 2.70 1.50 0.71 0.00 7.85 1.94 101 T C C 99.96 2.75 20.49 23.87 115.37 -141.67 -102.44 124.98 73.91 25.15 0.95 70.79 2.09 0.95 0.55 0.35 0.00 21.21 4.06 102 M C C 42.76 20.87 10.32 29.64 124.39 -168.96 -114.30 139.70 58.00 41.68 0.33 54.86 2.68 0.21 0.26 0.11 0.00 21.10 20.78 103 E C C 104.32 4.72 19.18 24.39 119.14 -117.43 -77.66 151.63 97.31 2.61 0.07 96.39 1.21 0.16 0.02 0.03 0.00 1.77 0.42 104 S C T 75.46 5.30 16.18 23.05 110.79 -84.01 -61.28 138.51 98.33 1.10 0.57 0.92 4.61 93.14 0.05 0.37 0.00 0.73 0.17 105 G C T 40.59 5.59 18.48 25.22 96.83 23.65 87.86 -5.42 98.00 1.65 0.35 1.57 4.64 91.92 0.02 0.29 0.00 1.48 0.09 106 V C C 22.93 19.18 12.25 31.64 119.95 114.92 -100.51 134.76 56.61 43.31 0.08 51.23 3.97 0.24 0.01 0.07 0.00 43.58 0.91 107 D E E 79.22 5.79 23.41 29.80 118.68 -154.22 -106.54 131.60 11.10 88.87 0.03 10.71 0.32 0.04 0.01 0.01 0.00 88.62 0.29 108 V E E 19.73 23.07 13.53 36.21 125.97 -170.39 -125.21 137.26 4.45 95.54 0.00 4.35 0.09 0.00 0.00 0.00 0.00 95.50 0.06 109 S E E 50.63 6.48 25.06 31.92 124.10 -167.93 -118.62 137.37 2.21 97.79 0.00 2.17 0.05 0.00 0.00 0.00 0.00 97.76 0.03 110 I E E 24.97 22.70 14.09 36.36 124.39 -165.43 -122.04 133.14 2.05 97.95 0.00 2.14 0.03 0.00 0.00 0.00 0.00 97.81 0.03 111 T E E 56.64 6.87 23.67 30.99 123.19 -168.84 -118.59 137.00 2.14 97.86 0.00 2.18 0.04 0.00 0.00 0.00 0.00 97.72 0.05 112 I E E 45.09 16.95 13.98 31.00 117.35 -150.37 -102.93 128.78 7.53 92.45 0.02 7.25 0.23 0.03 0.01 0.01 0.00 92.15 0.33 113 L E E 69.38 8.52 14.68 24.73 118.76 -160.57 -103.89 140.01 38.82 60.94 0.23 31.86 5.49 0.80 0.06 0.17 0.00 60.89 0.72 114 D C C 96.83 5.07 12.36 19.16 113.32 -137.55 -93.78 125.49 66.97 32.81 0.22 62.04 2.33 0.92 0.05 0.16 0.00 33.52 0.97 115 R C C 155.42 4.80 13.33 19.73 109.95 -138.48 -87.04 117.70 99.63 0.36 0.01 99.57 0.11 0.04 0.00 0.00 0.00 0.27 0.02