# 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 V C C 36.81 19.59 15.35 34.00 122.04 -159.99 -112.61 131.44 98.73 1.27 0.01 98.85 0.06 0.01 0.00 0.00 0.00 1.05 0.02 1 Q E E 97.17 6.14 21.37 28.42 121.08 -161.60 -112.75 133.01 45.88 53.62 0.50 44.47 0.67 0.48 0.18 0.25 0.00 52.57 1.37 2 L E E 54.15 18.08 13.18 30.53 117.72 -146.27 -97.53 131.70 32.22 66.49 1.29 28.16 2.33 1.00 0.39 0.81 0.00 66.09 1.22 3 V E E 58.22 9.91 18.82 29.70 121.65 -166.06 -115.18 136.87 28.07 70.57 1.36 24.12 2.84 1.01 0.45 0.83 0.00 69.44 1.30 4 E E E 103.69 10.52 17.33 28.30 116.42 -131.68 -93.39 133.45 38.33 59.49 2.18 30.93 5.57 2.16 0.62 1.48 0.00 58.00 1.24 5 S C C 49.20 12.68 15.66 28.30 109.19 -169.09 -98.97 21.37 65.17 31.42 3.41 46.61 11.92 6.03 0.71 2.82 0.00 30.74 1.17 6 G C C 43.25 7.26 18.46 26.16 106.25 -112.00 85.54 4.30 76.18 21.70 2.13 31.85 29.41 15.37 0.27 1.88 0.00 20.18 1.05 7 G C C 34.89 10.79 17.37 28.12 119.49 -49.40 121.22 173.98 75.06 23.71 1.22 34.21 29.19 11.59 0.11 1.24 0.00 22.80 0.85 8 G E E 27.12 10.50 18.94 29.78 126.41 90.70 128.29 -172.37 45.69 54.16 0.15 33.01 11.84 1.12 0.02 0.17 0.00 53.13 0.71 9 V E E 73.60 10.51 21.46 32.10 122.62 -77.08 -112.83 135.86 8.79 91.18 0.03 7.80 0.88 0.06 0.01 0.02 0.00 90.23 1.00 10 V E E 17.26 20.87 14.69 35.40 123.91 -165.95 -116.91 136.20 7.71 92.28 0.02 7.44 0.32 0.01 0.01 0.01 0.00 87.95 4.25 11 Q C C 90.97 5.31 23.39 28.81 119.62 -138.76 -90.27 144.72 91.47 8.52 0.01 91.39 0.57 0.03 0.00 0.01 0.00 7.50 0.50 12 P C T 62.80 13.47 13.74 27.34 109.94 -89.38 -59.82 137.03 99.24 0.57 0.19 0.28 2.37 96.79 0.01 0.12 0.00 0.37 0.05 13 G C T 51.75 3.08 18.92 22.63 95.58 22.07 86.56 -5.39 99.56 0.32 0.12 0.43 2.76 96.45 0.00 0.09 0.00 0.25 0.02 14 R C C 104.72 7.29 17.46 26.06 127.49 111.50 -101.27 156.91 91.28 8.64 0.07 75.03 16.08 0.27 0.01 0.07 0.00 7.81 0.72 15 S C C 58.63 9.55 18.74 28.95 122.89 -123.91 -99.23 146.70 50.41 49.57 0.02 50.30 0.58 0.04 0.00 0.01 0.00 48.17 0.89 16 L E E 15.92 22.29 15.13 37.33 124.27 -156.88 -118.76 138.91 2.77 97.23 0.00 2.67 0.07 0.00 0.00 0.00 0.00 97.12 0.13 17 R E E 118.72 7.51 24.73 33.02 118.79 -151.85 -111.00 128.01 0.76 99.24 0.00 0.71 0.02 0.00 0.00 0.00 0.00 99.23 0.02 18 L E E 7.46 25.24 16.53 42.08 124.06 -170.52 -118.40 135.66 2.91 97.08 0.01 2.67 0.14 0.01 0.00 0.00 0.00 97.09 0.09 19 S E E 40.61 10.08 26.51 36.97 129.31 -168.81 -123.79 147.75 15.45 84.49 0.06 13.84 1.00 0.09 0.01 0.03 0.00 84.83 0.18 20 C E E 7.81 24.56 17.33 41.78 133.93 -169.00 -139.45 150.20 22.32 77.50 0.19 20.20 1.56 0.20 0.06 0.10 0.00 77.39 0.48 21 A E E 40.98 9.77 26.66 36.93 122.99 -160.56 -113.24 138.60 15.04 84.66 0.29 13.63 1.28 0.25 0.14 0.16 0.00 81.89 2.64 22 A E E 9.98 23.86 14.60 38.18 122.98 -165.98 -116.98 134.65 32.75 66.71 0.54 30.00 2.15 0.50 0.20 0.36 0.00 63.71 3.10 23 S C E 64.57 5.98 20.91 27.72 124.13 -167.25 -114.02 144.98 59.23 39.94 0.83 34.20 18.09 8.81 0.11 0.85 0.00 36.60 1.34 24 G C S 52.95 2.99 20.36 23.58 98.95 15.75 83.91 -1.06 80.42 18.79 0.79 20.40 45.86 13.99 0.07 0.83 0.00 17.72 1.13 25 F C C 52.94 18.76 11.88 29.59 118.72 123.08 -94.59 137.84 80.31 18.31 1.38 59.19 16.58 4.37 0.29 1.34 0.00 15.04 3.20 26 T C C 74.93 6.25 21.07 27.89 117.93 -161.20 -111.55 133.07 83.26 15.08 1.66 62.46 14.71 5.54 0.40 1.48 0.00 11.19 4.22 27 F C C 62.75 17.30 13.73 30.21 111.19 -152.66 -96.15 109.42 80.55 12.84 6.61 44.81 21.84 14.69 1.33 5.35 0.02 8.25 3.71 28 S C S 71.22 5.40 19.11 25.25 99.70 149.03 -83.37 -14.94 84.82 7.62 7.56 24.84 31.93 28.87 0.95 6.44 0.01 5.51 1.45 29 S C S 59.59 7.72 19.69 27.64 103.56 36.28 -103.16 -6.57 80.16 12.85 6.99 21.64 31.53 27.90 0.83 5.86 0.01 10.88 1.34 30 Y C C 46.13 17.92 17.52 34.98 127.31 67.83 -115.22 147.77 60.97 36.48 2.55 37.24 19.21 5.50 0.45 2.16 0.00 33.87 1.56 31 G E E 8.17 15.82 24.63 40.60 131.11 -159.91 -122.16 162.13 26.77 73.02 0.21 22.06 3.64 0.66 0.04 0.19 0.00 72.88 0.53 32 M E E 5.26 25.58 21.28 47.16 127.27 -144.09 -127.30 141.07 3.94 96.06 0.01 3.54 0.22 0.02 0.00 0.00 0.00 96.10 0.12 33 H E E 31.48 17.12 27.71 44.30 130.11 -170.44 -127.14 145.08 0.65 99.35 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.01 34 W E E 8.55 24.43 22.45 46.78 123.21 -156.16 -112.39 136.37 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.00 35 V E E 14.93 17.73 24.29 42.00 129.02 -170.69 -127.80 143.48 0.31 99.69 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.71 0.01 36 R E E 50.97 16.35 21.64 37.55 124.03 -158.76 -115.65 137.98 0.64 99.36 0.00 0.54 0.03 0.00 0.00 0.00 0.00 99.41 0.01 37 Q E E 63.95 12.04 18.44 31.06 116.54 -145.06 -102.34 128.57 5.55 94.44 0.01 4.88 0.36 0.03 0.00 0.01 0.00 94.46 0.26 38 A C C 28.17 11.02 13.27 25.97 117.31 -137.17 -81.98 150.27 80.54 19.30 0.16 77.30 1.91 0.37 0.03 0.12 0.00 19.66 0.62 39 P C T 99.68 4.16 12.55 18.63 109.09 -85.39 -58.97 135.17 94.70 0.38 4.92 0.80 4.76 88.43 0.10 5.59 0.00 0.23 0.09 40 G C T 69.73 0.27 12.92 10.52 95.97 15.24 81.70 -3.91 94.80 0.15 5.05 0.78 4.36 88.96 0.11 5.66 0.00 0.09 0.05 41 K C S 131.08 3.34 11.84 16.72 108.48 74.68 -106.70 -1.88 88.01 4.57 7.42 13.60 37.89 35.89 0.35 8.24 0.00 3.08 0.93 42 G C C 32.46 4.31 16.65 22.08 127.73 -115.71 92.99 -168.47 72.78 26.94 0.29 54.69 15.58 2.12 0.04 0.29 0.00 26.05 1.22 43 L E E 53.62 16.72 13.27 29.66 116.17 -28.78 -81.07 137.35 27.18 72.78 0.05 24.65 1.31 0.11 0.00 0.04 0.00 73.64 0.25 44 E E E 74.88 9.66 21.70 31.91 127.38 -169.81 -126.04 140.69 2.57 97.42 0.01 2.14 0.21 0.02 0.00 0.00 0.00 97.58 0.05 45 W E E 77.74 17.06 19.19 35.81 110.67 -113.68 -73.46 127.54 0.47 99.53 0.00 0.42 0.01 0.00 0.00 0.00 0.00 99.56 0.01 46 V E E 14.35 19.21 21.85 41.24 101.96 175.76 -99.18 -32.88 2.00 98.00 0.00 1.38 0.39 0.02 0.00 0.00 0.00 98.20 0.01 47 T E E 5.61 21.38 23.37 44.83 141.66 -1.50 -154.05 151.56 0.40 99.60 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.66 0.00 48 V E E 18.26 18.88 25.22 43.51 122.60 -155.05 -121.38 130.75 0.38 99.62 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.65 0.01 49 I E E 8.23 22.23 22.22 44.37 119.76 -164.12 -113.46 127.41 1.65 98.34 0.01 1.35 0.11 0.01 0.00 0.00 0.00 98.47 0.04 50 W E E 54.09 13.61 23.45 37.52 123.26 -168.98 -116.95 135.91 7.83 92.04 0.13 6.10 1.14 0.27 0.03 0.08 0.00 92.20 0.18 51 Y E E 48.09 17.14 16.62 33.53 110.99 -159.73 -103.37 101.77 34.16 64.79 1.05 20.90 10.40 4.78 0.20 0.86 0.00 62.01 0.86 52 D C T 78.67 7.00 18.19 25.75 101.98 45.49 -94.52 23.54 76.91 20.55 2.54 14.98 22.49 40.05 0.27 2.33 0.01 18.69 1.18 53 G C T 46.58 6.21 14.72 21.91 99.79 -82.95 82.92 -0.50 93.68 3.32 2.99 12.51 28.85 52.18 0.25 2.99 0.00 2.66 0.56 54 S C S 70.45 3.72 15.82 20.33 108.05 80.01 -99.76 43.12 89.00 7.81 3.19 21.20 35.77 32.48 0.31 3.04 0.00 6.02 1.16 55 N C C 89.27 9.57 13.58 23.81 101.08 -122.39 -58.38 43.40 70.83 26.97 2.21 36.49 21.45 13.41 0.34 1.95 0.00 25.05 1.30 56 R E E 121.43 7.77 16.83 25.75 115.11 135.79 -102.59 123.67 46.49 52.06 1.44 36.60 7.31 2.49 0.36 1.06 0.00 50.85 1.32 57 Y E E 89.38 12.73 18.28 30.98 118.88 42.81 -112.03 133.95 22.14 76.49 1.37 18.15 3.56 1.34 0.61 0.82 0.00 72.94 2.57 58 Y E E 64.27 17.09 16.21 32.72 127.08 -165.18 -118.67 148.57 26.92 71.66 1.41 23.04 2.84 1.00 0.86 0.78 0.00 65.28 6.19 59 A C C 19.01 16.30 14.54 31.31 113.52 -108.85 -71.94 142.59 86.23 11.79 1.98 81.00 3.82 1.15 0.83 0.96 0.00 10.95 1.28 60 D H G 112.43 2.65 17.78 21.52 92.64 -122.45 -61.58 -31.27 42.33 1.31 56.35 5.28 6.58 30.43 5.25 51.12 0.01 0.92 0.40 61 S H G 64.12 6.34 17.92 25.36 90.89 62.96 -70.09 -18.87 42.91 0.52 56.57 1.93 4.09 36.20 4.50 52.75 0.01 0.33 0.20 62 V H G 9.97 22.21 11.32 33.61 97.71 44.37 -101.86 -2.01 45.09 0.92 53.99 3.56 5.43 35.15 4.98 49.90 0.01 0.58 0.37 63 K C T 118.70 8.11 15.03 25.29 110.59 122.73 -61.51 130.97 90.44 2.48 7.08 3.49 4.55 82.94 2.20 3.95 0.01 1.17 1.70 64 G C T 60.04 1.62 19.20 20.32 93.89 16.52 81.05 -2.58 92.74 0.57 6.69 1.34 4.66 87.54 1.07 4.81 0.00 0.41 0.18 65 R C T 79.83 13.17 17.38 30.68 99.27 81.53 -97.66 -19.57 91.35 2.88 5.77 10.25 21.84 59.26 0.95 4.59 0.00 2.76 0.35 66 F E E 7.89 24.88 12.53 37.73 132.34 40.81 -131.77 148.21 14.84 84.87 0.29 11.71 2.98 0.45 0.11 0.21 0.00 83.33 1.22 67 T E E 62.80 6.28 26.68 33.55 126.65 -164.93 -124.72 142.45 2.55 97.43 0.02 2.34 0.12 0.01 0.00 0.01 0.00 97.37 0.13 68 I E E 23.48 23.83 14.70 38.14 122.19 -157.37 -116.57 130.66 2.19 97.80 0.01 2.04 0.07 0.01 0.00 0.01 0.00 97.81 0.06 69 S E E 47.55 6.67 24.83 31.85 133.75 174.69 -132.36 153.20 3.16 96.83 0.01 2.81 0.14 0.01 0.00 0.01 0.00 96.97 0.07 70 R E E 92.50 16.98 13.78 29.90 122.73 -147.18 -112.70 135.37 6.76 93.17 0.07 5.94 0.68 0.09 0.02 0.04 0.00 92.70 0.52 71 D E E 53.82 7.92 14.86 24.64 109.65 -149.11 -102.32 110.03 42.26 57.59 0.15 40.26 1.44 0.26 0.03 0.11 0.00 56.60 1.30 72 N C T 109.65 5.16 12.74 19.96 93.78 -162.67 -69.57 -22.99 93.49 0.55 5.96 2.20 11.45 78.75 0.18 6.89 0.00 0.38 0.15 73 S C T 93.23 0.82 14.85 14.34 94.59 55.98 -75.79 -29.95 92.62 0.67 6.72 1.33 10.65 79.56 0.18 7.65 0.00 0.42 0.20 74 K C T 105.90 6.06 14.97 21.82 99.03 31.16 -95.90 -1.57 92.86 0.38 6.76 3.82 20.11 67.34 0.20 8.15 0.00 0.24 0.14 75 N C T 62.82 12.23 15.93 28.93 96.61 -130.38 52.39 41.12 99.15 0.52 0.33 13.95 17.39 67.80 0.03 0.34 0.00 0.43 0.07 76 T E E 27.60 12.23 20.94 34.41 133.28 116.53 -129.76 152.87 23.73 76.24 0.03 20.11 3.09 0.15 0.00 0.03 0.00 75.13 1.49 77 L E E 5.65 24.04 18.58 43.24 121.53 -147.05 -112.81 134.06 2.34 97.66 0.00 2.32 0.06 0.00 0.00 0.00 0.00 97.45 0.17 78 Y E E 46.17 13.05 26.56 40.18 123.16 -161.29 -116.01 135.40 1.50 98.50 0.00 1.35 0.04 0.00 0.00 0.00 0.00 98.60 0.01 79 L E E 3.06 26.00 19.74 46.52 119.69 -161.97 -110.89 129.55 0.23 99.77 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.78 0.00 80 Q E E 53.48 11.48 27.21 39.10 120.47 -163.99 -114.52 129.37 0.12 99.88 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.01 81 M E E 7.98 24.40 16.81 41.61 120.67 -168.27 -115.97 130.73 9.69 90.31 0.00 9.82 0.07 0.00 0.00 0.00 0.00 89.55 0.56 82 D C S 64.23 7.73 23.10 31.05 124.09 -158.49 -104.62 152.22 93.62 6.33 0.05 42.26 45.67 4.50 0.00 0.08 0.00 7.28 0.21 83 S C S 61.96 5.28 24.35 29.91 96.93 10.77 59.61 51.69 98.51 1.46 0.03 10.38 83.70 4.46 0.00 0.04 0.00 1.27 0.16 84 L C C 13.75 24.52 11.40 35.86 114.86 -156.14 -73.82 134.97 98.12 1.86 0.02 97.59 0.90 0.03 0.00 0.01 0.00 0.72 0.75 85 R C C 98.68 5.34 24.88 30.33 132.21 -172.90 -127.31 160.84 97.48 2.45 0.06 97.43 0.37 0.02 0.02 0.02 0.00 0.44 1.70 86 A H G 48.58 14.70 15.86 30.29 91.12 -103.27 -59.36 -32.71 4.18 0.04 95.78 0.37 0.34 2.52 0.50 96.24 0.00 0.03 0.00 87 E H G 122.57 4.05 22.15 26.90 89.98 62.34 -70.78 -17.04 3.42 0.05 96.53 0.23 0.27 2.19 0.46 96.81 0.00 0.04 0.00 88 D H G 12.97 21.36 16.71 38.26 94.44 66.20 -83.61 0.81 4.76 0.07 95.17 1.09 0.57 1.73 0.65 95.91 0.00 0.06 0.00 89 T C C 34.69 17.15 21.55 38.24 113.86 108.76 -80.51 131.76 91.17 6.52 2.32 86.30 4.93 0.55 0.59 1.65 0.00 5.33 0.67 90 A E E 12.38 18.63 23.39 41.38 142.08 150.89 -145.97 168.53 12.55 86.38 1.07 11.13 1.05 0.34 0.73 0.55 0.00 83.53 2.67 91 V E E 28.23 16.76 25.57 42.04 119.01 -111.33 -104.63 132.51 5.30 94.04 0.67 4.75 0.47 0.22 0.39 0.32 0.00 93.53 0.33 92 Y E E 9.22 24.49 22.01 46.21 123.48 -164.92 -114.77 136.92 4.11 95.19 0.70 3.52 0.47 0.26 0.33 0.33 0.00 94.89 0.21 93 Y E E 27.25 19.20 27.09 45.29 128.67 -169.79 -124.98 143.39 6.23 92.88 0.89 5.12 0.73 0.36 0.34 0.38 0.00 92.80 0.27 94 C E E 5.55 23.50 23.50 46.50 126.61 -161.97 -120.56 141.87 15.06 82.83 2.11 12.15 1.86 0.87 1.01 0.75 0.00 82.76 0.59 95 A E E 10.12 19.12 22.88 41.71 128.15 -165.93 -122.66 145.48 17.77 78.78 3.45 14.28 2.54 1.34 1.75 1.29 0.00 77.89 0.91 96 R E E 73.94 13.46 21.58 34.87 122.33 -153.96 -113.28 136.10 20.50 75.96 3.54 15.20 4.40 2.36 1.76 1.58 0.01 73.35 1.33 97 A E E 39.06 12.46 15.45 28.53 115.25 -137.94 -94.34 134.82 33.45 63.26 3.29 25.70 5.79 2.85 1.11 1.80 0.00 61.78 0.97 98 V E E 79.38 7.35 13.46 22.09 110.15 -167.26 -98.77 104.26 45.82 48.11 6.07 21.26 13.11 14.92 1.32 4.12 0.06 43.21 2.00 99 A C T 86.55 2.14 13.28 16.21 107.53 -11.20 -74.09 94.19 87.44 7.15 5.41 15.16 20.87 51.35 0.76 4.57 0.00 6.34 0.94 100 G C T 55.46 2.13 13.48 16.36 105.76 -10.13 87.46 -10.21 92.45 3.87 3.68 17.16 29.97 45.58 0.39 3.23 0.00 3.12 0.55 101 E C E 107.89 5.88 13.53 20.91 119.68 83.10 -101.24 140.35 58.24 39.90 1.85 33.30 17.16 9.48 0.37 1.49 0.00 36.64 1.56 102 W E E 103.74 12.99 13.75 27.01 121.88 -154.01 -111.44 136.61 35.45 63.07 1.48 25.35 8.08 3.61 0.43 1.07 0.00 59.28 2.17 103 Y E E 81.07 12.15 18.71 31.29 128.52 -170.35 -126.88 146.06 29.31 69.19 1.51 22.19 5.73 2.46 0.53 0.89 0.00 66.72 1.49 104 F E E 50.97 17.54 17.27 34.57 122.59 -149.59 -111.89 136.10 30.61 67.56 1.82 23.38 5.94 2.49 0.77 1.00 0.00 64.11 2.31 105 D C E 49.41 12.99 20.23 33.34 118.25 -153.68 -107.52 130.62 50.08 47.25 2.68 38.69 7.67 3.92 0.98 1.54 0.00 45.52 1.66 106 Y C C 81.66 15.34 18.31 33.02 109.00 -156.34 -93.71 70.60 60.03 33.90 6.06 30.51 16.28 16.27 1.75 4.07 0.06 28.07 2.99 107 W C T 97.80 13.69 19.06 31.98 105.63 65.76 -93.46 47.39 68.83 23.21 7.96 20.12 18.81 32.37 1.85 5.68 0.12 16.76 4.30 108 G C T 29.42 11.85 19.05 30.42 115.37 -51.02 79.64 -151.08 81.18 10.80 8.02 19.40 25.21 37.70 1.23 6.35 0.02 7.94 2.13 109 Q C T 95.83 9.83 20.94 30.28 101.89 -3.15 -88.01 5.87 81.13 11.77 7.11 21.73 26.92 33.54 1.12 5.57 0.02 9.12 1.98 110 G C C 15.20 17.09 19.18 35.10 123.18 -112.20 102.61 -175.02 72.48 25.67 1.85 36.15 21.48 15.15 0.24 1.74 0.00 23.93 1.32 111 T E E 22.67 19.55 20.47 39.19 121.70 -96.59 -108.83 136.10 29.42 70.33 0.25 24.99 3.47 0.65 0.05 0.20 0.00 69.89 0.75 112 L E E 54.90 13.66 24.28 37.54 117.12 -146.35 -101.44 128.93 4.10 95.86 0.04 3.55 0.37 0.05 0.01 0.02 0.00 95.82 0.18 113 V E E 11.56 23.08 18.17 41.12 121.45 -166.28 -113.38 131.01 1.47 98.53 0.01 1.36 0.07 0.01 0.00 0.00 0.00 98.49 0.06 114 T E E 53.10 9.26 24.48 34.00 121.09 -160.32 -110.63 134.38 3.33 96.65 0.01 3.20 0.13 0.02 0.01 0.00 0.00 96.39 0.25 115 V E E 23.41 20.60 13.25 33.27 118.51 -156.33 -105.99 129.80 30.12 69.80 0.08 29.48 0.44 0.10 0.03 0.04 0.00 68.95 0.97 116 S C C 61.53 6.06 20.18 26.59 118.49 -160.58 -96.71 146.16 99.54 0.46 0.01 99.54 0.08 0.02 0.00 0.00 0.00 0.36 0.01