# 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 112.90 6.66 13.79 21.70 114.89 -162.53 -93.83 128.54 99.79 0.20 0.01 99.79 0.07 0.02 0.00 0.00 0.00 0.11 0.01 1 G C C 44.10 6.04 13.18 20.44 115.67 -154.57 -95.95 160.88 91.68 6.83 1.49 88.87 0.87 2.44 0.53 0.60 0.00 5.46 1.23 2 A C C 63.48 7.85 13.91 22.71 112.86 -131.20 -91.53 126.23 84.48 13.06 2.46 59.38 15.51 9.25 0.55 2.02 0.00 11.83 1.46 3 M C C 85.98 10.05 17.59 27.96 118.18 -153.24 -99.55 136.20 76.12 21.77 2.11 58.32 12.08 4.87 0.47 1.72 0.00 21.13 1.41 4 A C C 10.55 21.41 15.37 36.51 121.76 -145.54 -100.93 142.57 62.62 36.56 0.82 56.18 4.21 0.84 0.24 0.47 0.00 37.20 0.86 5 E E E 69.53 11.20 25.56 36.76 125.50 -157.37 -120.36 138.78 18.49 81.31 0.21 17.01 1.18 0.19 0.09 0.10 0.00 80.63 0.81 6 I E E 5.35 24.80 18.46 43.94 120.61 -159.07 -115.54 128.99 5.64 94.30 0.06 5.30 0.26 0.03 0.03 0.02 0.00 94.07 0.29 7 Q E E 41.28 11.16 24.78 36.78 112.47 -151.84 -98.41 117.83 3.59 96.37 0.04 3.41 0.14 0.02 0.03 0.01 0.00 95.87 0.52 8 F E E 14.41 22.31 17.98 40.33 99.23 174.75 -86.96 -33.55 17.73 81.79 0.48 13.28 3.65 0.87 0.13 0.29 0.00 81.26 0.51 9 I E E 34.48 13.76 18.01 32.50 134.29 13.09 -144.72 149.89 23.53 72.34 4.13 3.06 6.97 19.59 0.33 3.70 0.01 64.13 2.22 10 R C T 148.95 5.86 17.19 24.24 106.62 -74.00 -60.20 121.47 91.88 2.12 6.00 1.13 4.64 85.83 0.14 6.50 0.00 1.50 0.26 11 G C T 56.58 2.35 16.79 19.58 95.60 8.60 85.64 -1.97 97.88 0.92 1.20 3.25 9.75 84.57 0.06 1.48 0.00 0.75 0.14 12 I E E 61.05 10.70 12.72 24.93 117.68 110.48 -106.72 124.99 17.50 82.41 0.08 14.43 2.47 0.30 0.04 0.06 0.00 77.96 4.74 13 N E E 98.50 6.23 17.68 25.46 115.92 -155.17 -96.84 126.89 11.89 87.99 0.11 10.41 1.30 0.16 0.08 0.05 0.00 84.77 3.23 14 E C C 39.08 18.47 12.36 30.37 121.70 -165.86 -109.96 136.95 64.06 35.68 0.26 58.23 3.60 0.66 0.06 0.20 0.00 36.45 0.78 15 E C C 129.09 3.93 21.80 26.35 103.26 -142.63 -83.86 34.87 77.70 21.91 0.39 54.27 21.09 2.34 0.08 0.39 0.00 20.78 1.05 16 V C C 48.79 15.57 17.08 32.08 117.54 34.13 -106.74 131.40 76.05 23.51 0.44 58.02 16.32 1.76 0.13 0.40 0.00 18.65 4.72 17 V C C 27.20 19.04 15.27 34.17 112.95 -141.42 -98.81 118.11 83.44 16.41 0.15 74.73 7.94 0.40 0.04 0.12 0.00 15.58 1.19 18 P C S 50.91 10.32 19.48 30.44 112.84 -131.09 -72.30 154.93 83.24 16.51 0.25 34.75 39.12 8.06 0.03 0.25 0.00 17.48 0.32 19 D E E 88.31 6.23 21.19 27.50 103.80 7.89 -78.52 80.35 36.36 63.38 0.26 15.03 13.00 7.90 0.02 0.25 0.00 63.44 0.36 20 V E E 24.29 22.11 12.12 33.33 121.54 -161.51 -104.83 133.08 9.14 90.84 0.03 8.26 0.55 0.04 0.01 0.01 0.00 90.91 0.21 21 R E E 118.99 5.68 23.54 29.90 123.99 -169.34 -123.20 135.56 2.31 97.68 0.01 2.19 0.06 0.01 0.00 0.00 0.00 97.64 0.10 22 L E E 47.02 19.16 14.44 32.81 121.54 -154.68 -111.60 131.36 2.42 97.57 0.01 2.19 0.10 0.01 0.00 0.01 0.00 97.62 0.07 23 T E E 54.26 7.84 20.20 28.95 130.06 -176.01 -127.61 150.10 3.37 96.61 0.03 2.86 0.32 0.04 0.01 0.01 0.00 96.62 0.15 24 R E E 110.41 11.06 14.13 25.99 124.23 -150.16 -116.92 141.85 12.53 87.41 0.06 11.30 1.17 0.08 0.03 0.03 0.00 85.88 1.52 25 A C C 36.73 8.79 11.62 22.32 119.06 -115.58 -72.44 159.72 87.20 12.70 0.10 86.07 1.25 0.20 0.02 0.06 0.00 11.37 1.03 26 R C T 187.14 1.74 12.06 15.03 90.97 -101.72 -60.38 -29.11 99.01 0.35 0.64 1.02 12.96 84.98 0.03 0.67 0.00 0.25 0.08 27 D C T 113.35 1.12 14.42 14.67 93.44 52.08 -85.90 -2.79 98.87 0.35 0.78 0.77 13.45 84.64 0.03 0.80 0.00 0.21 0.10 28 G C S 32.66 9.93 10.92 21.99 95.11 -110.01 81.25 7.22 98.71 0.74 0.55 7.61 87.40 3.93 0.04 0.40 0.00 0.33 0.29 29 S C S 66.39 4.12 17.17 22.11 97.67 112.27 -87.25 -21.50 99.11 0.75 0.14 12.98 82.12 4.11 0.01 0.13 0.00 0.50 0.15 30 S C C 47.91 7.24 18.37 26.71 133.87 31.26 -137.14 153.99 80.00 19.88 0.12 47.67 31.82 1.26 0.02 0.14 0.00 18.00 1.10 31 G E E 11.08 16.32 15.71 32.40 139.40 174.89 -150.66 168.84 28.32 71.66 0.02 22.83 4.64 0.15 0.00 0.02 0.00 71.91 0.45 32 Q E E 63.68 10.43 23.55 34.55 129.19 -135.26 -128.91 142.97 1.19 98.80 0.00 1.01 0.06 0.00 0.00 0.00 0.00 98.88 0.03 33 A E E 4.93 23.33 17.03 40.80 125.38 -163.76 -119.73 138.42 0.16 99.84 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.86 0.00 34 M E E 51.62 9.96 25.66 36.43 119.49 -159.51 -116.03 128.33 0.13 99.87 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 35 F E E 8.65 24.07 18.01 42.27 123.72 -169.60 -117.23 134.50 0.23 99.77 0.00 0.20 0.01 0.00 0.00 0.00 0.00 99.79 0.00 36 Y E E 68.48 9.61 26.01 36.35 120.39 -161.63 -114.73 128.64 0.40 99.60 0.00 0.35 0.02 0.00 0.00 0.00 0.00 99.62 0.01 37 F E E 11.43 23.21 15.42 38.99 119.00 -165.57 -112.35 129.81 4.33 95.66 0.01 4.06 0.19 0.02 0.00 0.00 0.00 95.39 0.33 38 D C S 71.17 6.72 22.75 29.66 121.17 -159.12 -106.75 139.37 63.15 36.79 0.06 22.81 38.96 1.04 0.00 0.06 0.00 36.72 0.40 39 N C C 95.04 5.45 22.04 28.19 94.97 5.05 60.80 52.11 92.21 7.62 0.16 52.57 38.72 1.09 0.03 0.13 0.00 6.98 0.47 40 P C C 12.91 23.37 11.61 34.64 114.75 -167.14 -69.88 144.41 69.35 5.56 25.09 54.71 4.94 9.45 3.80 21.80 0.00 4.57 0.73 41 K C C 118.57 5.19 23.83 29.16 103.15 -144.15 -87.53 46.39 52.69 12.32 34.99 28.24 11.55 15.17 6.30 27.30 0.04 9.39 2.01 42 I C C 41.42 16.71 17.65 33.57 99.06 92.30 -81.99 -24.10 47.26 17.76 34.97 31.12 9.76 8.73 8.76 24.89 0.05 13.29 3.40 43 V C C 32.33 18.33 13.86 31.40 107.92 64.09 -92.79 80.79 78.08 10.67 11.25 66.73 7.68 3.71 5.18 5.99 0.00 8.31 2.39 44 Q C C 106.04 6.55 16.50 24.05 108.57 87.64 -91.08 87.67 88.65 5.46 5.88 76.35 7.24 4.97 3.03 2.79 0.00 3.86 1.76 45 E C C 124.56 5.06 14.01 20.68 112.14 49.95 -91.21 123.69 89.54 2.67 7.79 48.51 17.35 24.03 2.43 5.09 0.00 1.51 1.07 46 G C T 45.31 5.25 13.93 20.49 116.10 17.55 97.94 -168.35 92.96 1.54 5.51 32.47 24.35 36.34 0.95 4.45 0.00 0.82 0.61 47 N C C 120.58 3.26 15.44 19.92 101.92 -55.80 -90.96 23.54 92.13 3.03 4.84 42.72 26.46 22.90 0.67 4.54 0.00 1.77 0.95 48 L C C 60.89 12.08 13.22 26.08 121.95 129.78 -99.40 147.61 88.62 9.08 2.29 54.97 29.47 4.64 0.40 2.04 0.00 6.76 1.72 49 E C C 97.61 7.21 21.29 28.80 115.89 -122.03 -87.47 136.03 77.65 20.70 1.64 66.12 8.33 2.41 0.36 1.36 0.00 19.22 2.19 50 V E E 17.55 23.07 12.88 35.74 112.59 -130.22 -87.15 124.01 40.11 59.43 0.47 37.63 1.72 0.37 0.16 0.29 0.00 57.96 1.87 51 T E E 67.86 6.68 23.22 30.57 101.58 176.06 -101.85 -20.06 35.22 64.59 0.19 24.57 9.94 0.99 0.03 0.15 0.00 63.86 0.47 52 G E E 15.45 10.41 23.81 35.01 146.36 -9.29 -170.23 165.97 10.33 89.60 0.06 6.94 2.70 0.51 0.01 0.05 0.00 89.65 0.13 53 M E E 24.05 23.23 16.55 39.43 131.79 -143.27 -137.50 144.32 1.73 98.26 0.00 1.59 0.06 0.00 0.00 0.00 0.00 98.31 0.03 54 Y E E 74.58 10.31 25.01 36.05 130.79 -172.64 -134.28 143.60 0.22 99.78 0.00 0.19 0.01 0.00 0.00 0.00 0.00 99.79 0.01 55 M E E 34.02 18.87 17.22 36.29 119.01 -152.75 -110.40 129.07 0.35 99.65 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.67 0.01 56 V E E 59.90 9.23 19.46 29.65 119.74 -167.99 -115.38 127.81 4.43 95.56 0.01 3.80 0.39 0.03 0.00 0.00 0.00 95.63 0.15 57 D C E 45.78 9.13 14.65 24.92 135.56 155.66 -137.05 -175.98 55.13 44.63 0.25 42.38 6.33 5.39 0.03 0.26 0.00 44.97 0.64 58 E C T 154.85 1.93 15.30 17.93 90.86 -84.60 -64.52 -24.82 99.38 0.25 0.37 0.81 18.79 79.84 0.01 0.34 0.00 0.16 0.04 59 E C T 119.21 4.34 14.78 19.82 97.45 46.75 -96.06 -6.21 99.45 0.20 0.35 0.98 16.70 81.82 0.01 0.33 0.00 0.12 0.03 60 G C E 15.73 10.65 15.93 28.03 137.29 -78.15 139.49 -177.47 53.63 46.19 0.19 37.79 12.23 2.47 0.03 0.22 0.00 46.68 0.58 61 E E E 81.65 9.21 19.95 29.95 126.97 -85.84 -123.93 142.50 11.84 88.14 0.01 11.70 0.25 0.02 0.00 0.00 0.00 87.73 0.29 62 I E E 25.95 19.88 15.77 35.73 120.60 -161.10 -112.52 130.94 0.41 99.59 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.02 63 V E E 53.60 9.11 23.46 33.31 122.45 -166.38 -118.22 132.38 0.39 99.61 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.58 0.01 64 T E E 22.75 20.14 14.53 34.23 126.80 -168.15 -120.23 142.01 3.53 96.46 0.01 3.36 0.14 0.01 0.00 0.00 0.00 96.34 0.14 65 R E E 115.87 6.82 21.33 28.71 122.86 -162.54 -109.98 143.02 20.06 79.89 0.05 14.35 4.34 0.28 0.01 0.05 0.00 80.78 0.20 66 D E E 83.48 6.62 21.19 27.99 110.34 -36.87 -66.86 124.28 25.45 74.50 0.04 21.63 2.21 0.22 0.01 0.04 0.00 75.73 0.16 67 V E E 18.98 21.67 12.73 33.91 124.12 -172.13 -118.94 136.97 12.34 87.65 0.01 11.78 0.42 0.03 0.00 0.01 0.00 87.60 0.16 68 N E E 80.44 5.31 24.94 30.59 119.21 -169.10 -121.27 128.67 2.70 97.30 0.01 2.39 0.18 0.02 0.00 0.00 0.00 97.36 0.06 69 A E E 15.16 22.12 13.18 34.58 128.78 -173.73 -126.38 147.73 0.92 99.08 0.00 0.85 0.03 0.00 0.00 0.00 0.00 99.11 0.01 70 K E E 92.85 6.19 22.47 29.23 124.29 -161.30 -123.57 137.08 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 71 F E E 64.74 14.97 12.57 27.78 118.29 -149.15 -105.02 128.88 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.68 0.01 72 I E E 77.53 6.75 13.32 21.94 117.97 -176.61 -127.04 118.57 3.00 96.98 0.02 1.95 0.66 0.16 0.00 0.01 0.00 97.02 0.20 73 N C T 139.54 0.89 13.58 13.95 91.73 -15.02 53.38 42.11 99.65 0.23 0.11 0.24 3.39 96.08 0.00 0.10 0.00 0.16 0.02 74 G C T 53.31 3.85 12.83 18.03 94.40 -51.51 81.08 1.77 99.83 0.07 0.09 0.30 3.86 95.71 0.00 0.08 0.00 0.05 0.01 75 Q E E 105.40 3.36 17.76 22.36 124.65 104.82 -115.60 141.28 5.87 94.12 0.01 2.80 3.40 0.15 0.00 0.01 0.00 93.07 0.58 76 P E E 36.23 18.01 13.08 30.96 110.98 -108.06 -66.48 134.30 3.08 96.92 0.00 2.70 0.08 0.00 0.00 0.00 0.00 97.18 0.03 77 V E E 59.90 8.03 21.22 30.31 102.80 173.74 -106.91 -22.79 7.24 92.76 0.00 4.74 1.43 0.04 0.00 0.00 0.00 93.76 0.02 78 A E E 20.94 11.46 23.09 35.71 144.04 -2.79 -161.43 158.86 0.84 99.16 0.00 0.64 0.06 0.00 0.00 0.00 0.00 99.30 0.01 79 I E E 10.16 23.55 18.58 42.36 125.34 -150.79 -128.42 134.03 0.23 99.77 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 80 E E E 49.64 11.51 26.03 38.00 122.61 -166.64 -118.13 132.34 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 81 A E E 5.08 23.39 18.23 41.80 129.04 -171.97 -128.43 142.76 0.23 99.76 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 82 T E E 36.98 10.73 25.97 37.47 120.84 -159.04 -118.24 129.18 0.25 99.75 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 83 Y E E 12.87 23.40 18.61 42.01 122.22 -168.43 -117.27 133.16 0.31 99.69 0.00 0.26 0.01 0.00 0.00 0.00 0.00 99.72 0.00 84 T E E 42.40 8.65 25.91 35.47 114.51 -151.35 -103.23 121.95 1.37 98.63 0.00 1.26 0.03 0.00 0.00 0.00 0.00 98.66 0.04 85 M E E 11.64 22.77 12.86 35.78 116.36 -160.32 -99.72 127.91 22.13 77.86 0.01 22.51 0.29 0.02 0.01 0.01 0.00 76.38 0.79 86 R C S 140.62 4.20 20.81 25.59 98.31 -163.99 -88.87 -21.87 97.52 2.46 0.02 43.55 54.05 0.20 0.00 0.01 0.00 2.07 0.12 87 S C S 42.55 4.87 19.43 25.13 131.67 24.03 -136.08 155.13 99.22 0.49 0.30 24.20 74.86 0.31 0.26 0.03 0.00 0.13 0.22 88 P H H 79.36 7.97 14.47 23.73 92.54 -116.21 -60.81 -35.84 1.95 0.00 98.04 0.16 0.21 1.42 97.04 1.16 0.00 0.00 0.00 89 Q H H 122.33 1.61 19.90 20.47 91.70 55.29 -64.24 -39.74 0.88 0.00 99.11 0.06 0.06 0.68 98.07 1.12 0.00 0.00 0.00 90 E H H 39.06 13.62 16.16 30.49 92.05 49.91 -65.71 -40.37 0.30 0.00 99.70 0.03 0.02 0.20 98.70 1.05 0.00 0.00 0.00 91 W H H 34.49 19.08 15.36 34.25 91.28 51.65 -62.62 -42.81 0.14 0.00 99.86 0.02 0.01 0.08 99.78 0.12 0.00 0.00 0.00 92 D H H 77.54 3.46 23.33 26.32 91.39 50.99 -63.94 -41.18 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.02 0.00 0.00 0.00 93 R H H 88.23 7.29 22.22 30.05 91.50 50.49 -64.56 -41.89 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.02 0.00 0.00 0.00 94 F H H 8.63 23.44 17.80 41.18 91.40 50.41 -63.55 -43.39 0.08 0.00 99.92 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 95 I H H 49.16 13.23 21.63 34.77 91.46 50.66 -63.50 -41.53 0.15 0.00 99.85 0.01 0.00 0.12 99.85 0.02 0.00 0.00 0.00 96 R H H 121.50 2.85 24.96 26.90 91.49 50.61 -63.81 -42.20 0.52 0.00 99.48 0.02 0.02 0.49 99.41 0.06 0.00 0.00 0.00 97 F H H 25.61 15.19 20.88 36.62 91.76 49.92 -64.12 -43.44 0.55 0.00 99.45 0.03 0.03 0.49 99.36 0.10 0.00 0.00 0.00 98 M H H 13.04 22.06 18.55 40.22 91.64 50.35 -63.93 -41.90 0.22 0.00 99.78 0.02 0.01 0.15 99.76 0.06 0.00 0.00 0.00 99 D H H 70.82 6.50 22.24 29.16 91.63 50.90 -63.68 -41.28 0.31 0.00 99.69 0.02 0.01 0.20 99.71 0.05 0.00 0.00 0.00 100 R H H 109.26 3.83 22.86 26.41 91.77 49.71 -64.60 -41.93 0.47 0.00 99.53 0.04 0.02 0.34 99.52 0.08 0.00 0.00 0.00 101 Y H H 29.74 14.80 17.57 33.26 92.07 48.68 -65.02 -42.35 0.68 0.00 99.32 0.06 0.05 0.48 99.28 0.12 0.00 0.00 0.00 102 A H H 15.07 14.15 13.89 29.37 91.81 51.14 -63.28 -41.91 1.09 0.01 98.90 0.16 0.08 0.73 98.58 0.44 0.00 0.00 0.00 103 A H H 79.87 1.67 17.55 18.79 92.08 49.52 -64.86 -40.00 1.53 0.00 98.46 0.13 0.08 1.21 97.33 1.25 0.00 0.00 0.00 104 S H H 76.13 3.20 15.62 19.72 91.73 51.92 -67.51 -28.90 6.15 0.01 93.84 0.17 0.22 5.91 92.41 1.28 0.01 0.00 0.00 105 H C T 81.35 9.74 12.20 23.18 96.88 40.54 -99.49 6.34 56.90 0.04 43.06 0.46 1.32 55.57 41.03 1.57 0.01 0.01 0.04 106 G C T 63.40 0.87 18.30 17.33 95.40 -111.07 73.02 22.35 99.82 0.02 0.16 2.84 1.90 95.16 0.05 0.04 0.00 0.01 0.00 107 L C C 46.74 15.30 9.51 24.51 123.75 131.27 -108.93 148.33 93.28 6.54 0.17 87.24 5.12 0.71 0.05 0.12 0.00 6.17 0.60 108 G C C 38.99 3.88 20.94 24.93 127.38 -153.25 -121.18 163.09 66.14 33.60 0.26 57.03 6.82 1.32 0.08 0.21 0.00 33.07 1.48 109 F C C 76.04 18.35 11.15 28.16 123.73 -136.57 -111.28 139.68 52.01 47.53 0.46 45.33 5.01 0.84 0.19 0.34 0.00 43.88 4.43 110 Q C C 102.77 4.40 17.19 22.94 125.36 -171.40 -123.94 146.19 56.86 42.33 0.81 47.29 7.49 1.33 0.33 0.60 0.00 38.32 4.64 111 K C C 129.26 6.10 12.91 20.71 112.27 -109.08 -75.09 140.60 73.78 21.76 4.46 56.99 11.49 4.88 1.21 3.48 0.00 19.52 2.43 112 S C C 62.11 8.07 9.47 18.58 111.24 -113.18 -81.86 138.10 84.18 4.12 11.70 50.25 19.94 13.48 1.67 10.88 0.00 2.84 0.93 113 E C C 145.87 2.20 10.53 14.12 105.66 -127.69 -85.68 38.43 85.28 2.98 11.74 46.37 22.67 15.62 1.66 10.93 0.00 1.73 1.00 114 N C C 119.94 2.59 9.60 13.96 110.84 51.85 -91.54 114.88 91.27 2.04 6.69 79.39 3.07 9.02 1.33 5.16 0.00 1.32 0.71 115 S C C 77.98 4.42 9.94 16.20 111.56 -156.31 -94.37 120.69 99.91 0.07 0.02 99.79 0.10 0.06 0.01 0.00 0.00 0.03 0.01