# 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 A C C 70.96 4.68 16.93 22.75 119.70 -126.95 -87.25 145.14 99.94 0.06 0.00 99.39 0.57 0.01 0.00 0.00 0.00 0.02 0.01 1 P C C 71.16 9.04 14.00 24.00 115.32 -91.22 -68.99 148.35 99.59 0.40 0.02 98.97 0.52 0.21 0.00 0.00 0.00 0.23 0.06 2 T C C 64.59 10.91 14.28 25.76 107.22 -125.35 -76.48 116.44 90.03 9.91 0.06 73.57 14.91 0.76 0.01 0.08 0.00 10.31 0.38 3 F E E 105.59 10.01 17.60 28.29 126.89 -149.47 -123.00 140.75 18.03 81.93 0.04 15.57 2.23 0.12 0.00 0.04 0.00 81.50 0.54 4 V E E 24.15 18.41 15.80 34.30 127.50 -171.20 -128.37 139.96 1.59 98.41 0.00 1.55 0.06 0.00 0.00 0.00 0.00 98.33 0.06 5 S E E 56.85 9.07 23.45 33.06 123.04 -156.47 -113.21 136.88 0.70 99.30 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.28 0.01 6 V E E 13.52 21.36 15.06 36.31 130.87 -176.52 -134.53 145.41 2.14 97.86 0.00 2.18 0.04 0.00 0.00 0.00 0.00 97.31 0.47 7 A C C 43.17 6.51 22.92 29.72 119.30 -118.89 -78.02 153.32 91.76 8.23 0.01 91.94 0.40 0.04 0.00 0.01 0.00 7.29 0.33 8 P C T 61.87 13.31 14.67 28.27 109.73 -83.18 -58.92 135.91 99.59 0.24 0.17 0.13 1.53 98.09 0.00 0.11 0.00 0.10 0.03 9 G C T 50.67 3.21 19.46 23.35 95.11 21.82 86.43 -5.35 99.74 0.13 0.13 0.18 1.56 98.09 0.00 0.10 0.00 0.06 0.01 10 Q C C 80.75 7.67 18.67 27.44 128.90 107.14 -106.16 157.23 94.57 5.37 0.06 76.52 18.09 0.19 0.01 0.06 0.00 4.70 0.45 11 T C C 66.46 11.17 18.98 30.59 126.45 -130.94 -111.71 147.07 51.92 48.08 0.00 53.13 0.34 0.01 0.00 0.00 0.00 45.94 0.58 12 A E E 8.43 22.64 16.12 38.76 128.76 -162.19 -124.95 145.11 0.48 99.52 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.48 0.04 13 R E E 118.61 7.94 24.93 33.73 122.03 -151.04 -116.05 132.73 0.20 99.80 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 14 I E E 6.52 25.47 16.65 42.73 121.78 -168.18 -117.31 130.55 1.89 98.10 0.00 1.82 0.04 0.00 0.00 0.00 0.00 98.10 0.03 15 T E E 60.54 7.95 26.64 35.30 119.12 -152.54 -97.82 134.33 17.71 82.26 0.02 16.43 0.60 0.04 0.00 0.01 0.00 82.71 0.21 16 C E E 9.14 24.84 15.58 40.07 121.77 -168.05 -119.32 144.78 35.49 64.39 0.11 33.01 1.44 0.19 0.03 0.07 0.00 63.99 1.29 17 G E E 25.01 10.55 23.63 34.20 125.97 174.01 -120.01 2.34 42.76 56.94 0.30 35.78 5.34 0.75 0.13 0.23 0.00 53.33 4.43 18 E C C 78.33 14.19 17.09 30.79 121.77 -112.60 -107.77 146.58 61.09 37.23 1.68 46.00 11.85 3.25 0.42 1.56 0.00 32.26 4.65 19 E C C 113.18 6.41 18.59 25.95 113.78 -133.08 -99.25 125.77 78.90 17.48 3.62 35.86 28.89 15.35 0.50 3.25 0.01 13.98 2.15 20 S C C 66.70 7.20 17.86 25.81 103.07 -15.95 -63.39 76.81 86.99 9.28 3.73 48.67 21.55 16.98 0.54 3.51 0.00 6.93 1.81 21 L C C 56.72 16.08 13.00 28.49 101.82 165.01 -84.48 0.97 85.52 10.02 4.46 46.96 16.23 22.59 0.83 3.86 0.00 6.67 2.85 22 G C C 46.26 5.27 19.22 25.07 102.54 -115.12 81.38 4.48 89.36 7.27 3.37 33.11 27.08 29.70 0.44 3.15 0.00 4.84 1.69 23 S C C 45.77 11.65 15.81 27.83 122.43 87.94 -102.11 145.72 88.00 8.67 3.33 46.12 29.27 12.85 0.44 3.33 0.00 5.91 2.07 24 R C S 125.63 9.92 18.89 28.97 100.25 -144.34 -89.13 -11.58 87.02 11.65 1.33 32.14 48.82 6.31 0.16 1.18 0.00 10.21 1.17 25 S C E 32.79 11.72 23.16 35.20 127.17 49.60 -123.01 145.13 50.95 47.98 1.07 37.97 10.05 2.74 0.15 1.00 0.00 47.20 0.89 26 V E E 4.01 25.67 17.86 44.16 124.96 -162.00 -120.14 135.81 11.47 88.49 0.04 10.34 0.76 0.06 0.01 0.02 0.00 88.47 0.33 27 I E E 31.78 13.94 27.43 41.83 123.39 -163.55 -117.93 137.52 2.20 97.80 0.00 2.03 0.08 0.00 0.00 0.00 0.00 97.84 0.04 28 W E E 8.17 24.88 21.22 46.21 123.50 -156.74 -109.89 137.51 0.81 99.19 0.00 0.73 0.04 0.00 0.00 0.00 0.00 99.21 0.01 29 Y E E 28.56 16.05 24.48 40.60 133.76 -175.56 -132.88 152.77 0.43 99.57 0.00 0.40 0.01 0.00 0.00 0.00 0.00 99.57 0.02 30 Q E E 34.17 16.70 20.94 37.51 125.95 -152.01 -118.61 139.56 2.27 97.72 0.00 1.94 0.15 0.01 0.00 0.00 0.00 97.82 0.09 31 Q E E 55.42 13.42 16.68 30.65 120.79 -154.41 -107.78 135.99 30.78 69.20 0.02 28.51 1.41 0.05 0.00 0.01 0.00 68.94 1.07 32 R C C 108.87 6.85 15.25 23.42 118.48 -131.47 -85.42 148.62 97.86 2.11 0.03 95.33 2.62 0.17 0.01 0.02 0.00 1.50 0.36 33 P C T 104.03 3.79 11.47 17.28 109.67 -85.96 -58.89 134.45 99.62 0.10 0.29 0.27 2.96 96.42 0.01 0.27 0.00 0.06 0.02 34 G C T 69.48 0.25 12.99 10.35 95.03 18.09 83.34 -2.86 99.62 0.07 0.31 0.37 2.79 96.45 0.00 0.32 0.00 0.05 0.01 35 Q C S 84.92 6.12 9.69 17.86 128.76 99.01 -110.38 158.40 93.25 6.34 0.40 42.84 48.73 1.57 0.08 0.38 0.00 2.15 4.25 36 A C C 74.93 2.45 17.82 20.30 116.74 -98.79 -68.71 149.54 96.79 3.19 0.02 84.71 12.18 0.15 0.00 0.02 0.00 2.55 0.38 37 P C C 49.31 16.92 12.69 29.05 115.14 -99.81 -65.62 144.70 91.70 8.28 0.01 88.86 2.61 0.08 0.00 0.01 0.00 8.18 0.24 38 S E E 34.55 11.78 20.41 32.89 126.81 -163.85 -125.01 142.00 4.23 95.76 0.01 3.81 0.30 0.02 0.01 0.01 0.00 95.31 0.54 39 L E E 54.96 15.82 19.82 35.24 110.58 -114.79 -75.81 125.56 0.71 99.28 0.00 0.69 0.02 0.00 0.00 0.00 0.00 99.26 0.04 40 I E E 17.18 20.14 21.31 41.22 101.81 175.59 -97.00 -32.02 3.19 96.79 0.02 2.41 0.63 0.04 0.01 0.01 0.00 96.88 0.03 41 I E E 15.84 20.01 21.54 41.22 134.76 7.88 -145.04 141.83 1.50 98.48 0.01 1.31 0.12 0.02 0.00 0.00 0.00 98.43 0.12 42 Y E E 51.88 16.92 20.17 36.60 126.71 -172.49 -129.60 135.78 11.05 88.81 0.14 9.87 0.87 0.16 0.06 0.07 0.00 88.20 0.78 43 N C C 51.68 12.40 19.38 32.14 108.39 -165.85 -107.99 73.35 64.29 34.49 1.22 39.73 18.95 6.29 0.22 1.06 0.00 32.28 1.46 44 N C S 73.12 11.11 16.56 27.70 103.12 -112.04 -83.10 23.84 85.20 11.61 3.19 25.98 32.73 27.49 0.36 2.94 0.01 8.62 1.86 45 N C T 100.21 5.96 16.59 23.34 101.77 61.26 -94.84 -0.21 94.09 2.71 3.21 14.30 39.76 40.06 0.29 3.12 0.00 1.65 0.83 46 D C S 100.28 4.28 16.76 21.93 104.82 32.59 -93.39 22.53 92.73 4.78 2.50 21.14 46.07 25.64 0.27 2.47 0.00 2.95 1.47 47 R C C 106.26 10.94 13.71 25.12 118.75 62.37 -102.33 132.84 88.67 10.85 0.47 52.56 35.16 1.63 0.14 0.38 0.00 6.20 3.93 48 P C C 52.45 12.57 12.59 25.76 112.21 -110.34 -68.36 148.91 87.55 9.37 3.08 73.58 5.52 7.41 0.49 3.26 0.00 6.12 3.61 49 S C T 84.77 3.21 15.87 20.41 111.10 -103.01 -73.55 138.21 93.55 3.40 3.05 11.53 12.99 68.39 0.28 3.42 0.00 2.28 1.10 50 G C T 54.63 3.02 17.85 21.39 99.23 22.94 84.84 -2.01 94.07 3.34 2.59 13.57 14.65 65.26 0.19 3.09 0.00 2.46 0.77 51 I C C 28.70 21.23 9.46 29.36 116.21 121.74 -86.71 132.24 93.44 6.32 0.24 59.67 33.89 0.36 0.10 0.13 0.00 2.58 3.27 52 P C C 48.92 8.06 17.00 26.73 114.18 -107.89 -65.94 149.12 95.84 3.19 0.97 94.49 1.29 0.52 0.26 0.48 0.00 1.58 1.38 53 D H G 111.19 3.93 16.69 22.43 92.77 -111.59 -60.02 -28.97 24.22 0.67 75.10 3.54 3.64 16.15 3.60 72.48 0.00 0.49 0.11 54 R H G 118.82 8.82 18.71 28.10 91.93 65.41 -72.23 -12.75 21.31 1.60 77.09 2.76 3.16 15.50 4.42 72.65 0.01 1.34 0.16 55 F H G 29.25 21.00 14.89 35.19 99.28 57.16 -96.94 4.69 23.54 4.56 71.90 7.91 6.44 11.85 5.47 64.02 0.01 3.58 0.71 56 S C C 41.00 13.67 18.59 32.15 120.42 100.43 -102.27 146.23 69.87 21.50 8.63 41.51 20.49 8.01 3.91 4.69 0.14 9.76 11.49 57 G C C 32.18 11.72 17.42 29.02 125.11 105.81 -111.40 167.37 85.66 12.60 1.74 47.21 30.57 8.52 0.48 1.40 0.00 7.82 4.00 58 S C C 68.07 5.82 19.18 25.94 120.42 -81.62 -97.06 145.58 90.14 8.28 1.58 50.72 32.75 6.90 0.34 1.37 0.00 4.65 3.26 59 P C T 88.13 7.79 16.44 25.15 110.78 -87.84 -66.30 140.65 89.69 5.58 4.73 23.43 19.99 46.50 0.64 4.22 0.00 3.70 1.52 60 G C T 40.91 8.58 17.28 26.25 110.38 25.41 93.53 -3.11 88.48 7.18 4.35 27.26 19.23 42.47 0.54 4.00 0.00 4.88 1.61 61 S C C 40.48 13.38 14.56 28.16 116.94 113.22 -94.28 139.75 81.17 14.90 3.93 60.59 12.95 6.51 0.84 3.70 0.00 10.19 5.23 62 T C C 78.86 9.07 18.14 27.74 106.08 -164.13 -100.11 25.54 73.39 22.31 4.30 36.81 25.00 13.20 0.81 3.65 0.03 15.21 5.28 63 F C S 102.41 9.16 19.38 28.69 110.16 67.05 -103.69 96.57 66.10 29.07 4.83 17.97 28.31 21.70 1.07 3.77 0.16 17.26 9.75 64 G C T 28.99 10.79 20.06 30.69 110.89 -79.78 71.95 -127.91 94.51 2.74 2.76 8.44 34.77 51.43 0.30 2.49 0.00 1.79 0.78 65 T C T 49.70 15.84 18.74 33.67 100.49 -13.47 -97.96 6.30 92.67 5.30 2.03 11.62 37.49 43.90 0.22 1.83 0.00 4.08 0.86 66 T E E 39.66 12.00 23.01 35.96 125.32 83.96 -113.46 142.92 36.26 63.29 0.45 25.02 9.67 1.65 0.16 0.40 0.01 52.28 10.81 67 A E E 3.77 24.78 17.94 43.16 124.68 -165.52 -120.39 137.60 25.25 74.67 0.08 22.61 1.78 0.18 0.02 0.06 0.00 71.96 3.38 68 T E E 42.74 10.89 27.28 38.91 120.33 -155.98 -112.46 130.94 22.79 77.20 0.01 20.90 1.15 0.05 0.00 0.01 0.00 77.03 0.87 69 L E E 3.84 26.08 18.28 45.21 119.91 -166.58 -115.15 128.08 6.33 93.66 0.00 6.05 0.23 0.01 0.00 0.00 0.00 93.56 0.15 70 T E E 48.08 9.20 27.16 37.06 118.40 -161.37 -111.40 127.23 0.96 99.04 0.00 1.00 0.01 0.00 0.00 0.00 0.00 98.84 0.14 71 I E E 8.23 24.38 16.00 40.90 117.54 -165.46 -113.61 123.51 2.65 97.35 0.00 2.88 0.03 0.00 0.00 0.00 0.00 95.86 1.24 72 T C E 61.07 6.89 23.51 30.65 126.64 -169.17 -117.32 153.12 62.57 37.40 0.03 35.87 24.07 2.06 0.00 0.04 0.00 37.64 0.31 73 S C S 65.67 5.13 24.17 29.53 94.43 12.95 58.20 48.21 86.42 13.56 0.02 8.96 73.25 2.90 0.00 0.02 0.00 14.71 0.16 74 V C C 10.31 25.03 10.94 35.48 118.93 163.83 -89.16 138.35 83.93 16.05 0.02 85.60 0.56 0.02 0.01 0.01 0.00 10.87 2.95 75 E C C 102.00 3.90 24.52 28.10 125.03 -146.00 -107.26 154.90 85.67 14.23 0.10 86.86 0.54 0.05 0.05 0.03 0.00 4.82 7.65 76 A C T 58.19 11.79 15.52 27.56 108.87 -88.27 -59.72 134.68 99.51 0.28 0.21 0.11 1.30 98.30 0.01 0.12 0.00 0.12 0.04 77 G C T 44.78 4.20 20.65 25.39 96.62 25.92 89.68 -4.79 99.73 0.15 0.11 0.24 1.39 98.14 0.00 0.12 0.00 0.11 0.01 78 D C C 31.91 15.67 15.54 31.93 116.86 131.41 -71.89 145.35 97.66 2.32 0.02 95.99 1.76 0.05 0.00 0.01 0.00 2.05 0.14 79 E E E 89.79 9.71 23.53 33.45 120.64 -135.30 -100.45 139.33 17.67 82.26 0.07 17.64 0.49 0.08 0.03 0.05 0.00 76.74 4.98 80 A E E 6.30 22.47 18.88 41.18 140.56 164.08 -145.73 167.53 9.31 90.67 0.02 7.88 1.07 0.10 0.00 0.02 0.00 90.79 0.14 81 D E E 38.94 11.80 26.42 39.04 117.26 -116.45 -99.36 132.87 2.11 97.89 0.00 1.86 0.10 0.00 0.00 0.00 0.00 97.99 0.03 82 Y E E 4.80 26.40 19.90 46.75 124.03 -165.85 -117.55 138.89 1.11 98.88 0.00 1.00 0.06 0.00 0.00 0.00 0.00 98.90 0.05 83 Y E E 35.12 15.48 27.96 43.62 130.48 -172.40 -130.02 147.74 1.58 98.42 0.00 1.41 0.07 0.00 0.00 0.00 0.00 98.42 0.09 84 C E E 1.89 26.58 21.46 48.60 124.27 -158.44 -119.75 138.20 2.47 97.53 0.00 2.14 0.14 0.01 0.00 0.00 0.00 97.68 0.03 85 H E E 31.75 15.14 27.73 43.04 126.88 -168.22 -122.71 139.45 0.89 99.11 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 86 I E E 7.20 23.84 21.27 45.12 122.08 -161.57 -115.49 132.04 0.74 99.26 0.00 0.66 0.02 0.00 0.00 0.00 0.00 99.29 0.03 87 W E E 52.34 13.10 22.82 36.50 126.10 -167.76 -118.39 142.41 5.50 94.50 0.01 4.80 0.34 0.02 0.00 0.01 0.00 94.52 0.31 88 D C C 26.58 14.24 16.42 31.90 111.75 -151.36 -103.69 115.89 53.02 46.92 0.06 48.15 2.94 0.25 0.01 0.05 0.00 48.03 0.56 89 S C S 59.93 8.28 15.57 25.28 96.10 -162.29 -79.66 -10.80 96.01 3.36 0.63 14.38 47.11 34.48 0.04 0.73 0.00 2.92 0.34 90 R C S 164.22 2.18 15.59 17.99 97.83 58.69 -87.45 -14.63 97.86 1.46 0.68 7.32 55.69 34.91 0.04 0.74 0.00 1.01 0.28 91 R C S 110.84 5.99 10.91 18.77 120.21 46.21 -120.28 129.14 92.33 6.38 1.29 21.78 62.22 8.41 0.17 1.22 0.00 4.18 2.01 92 P C T 105.77 2.98 13.16 17.44 96.57 -132.95 -66.91 -21.01 93.17 3.34 3.50 11.07 32.18 49.66 0.18 3.84 0.00 2.56 0.51 93 T C T 85.60 5.27 14.76 21.16 100.80 52.26 -90.68 26.09 87.49 8.32 4.19 20.48 27.13 39.92 0.25 4.42 0.00 7.00 0.80 94 N C C 53.13 12.32 15.02 28.13 112.24 124.25 -90.39 121.45 77.92 20.33 1.75 64.47 8.96 2.89 0.16 2.07 0.00 20.62 0.82 95 W E E 75.82 15.39 18.44 33.60 123.67 -143.83 -111.16 138.60 23.47 76.45 0.09 21.25 1.61 0.21 0.02 0.06 0.00 76.08 0.76 96 V E E 28.02 18.04 20.87 38.56 123.04 -160.34 -116.12 134.60 2.19 97.79 0.01 2.00 0.14 0.02 0.01 0.00 0.00 97.12 0.70 97 F E E 52.03 17.71 21.76 38.49 120.51 -150.63 -104.28 137.67 7.24 92.72 0.04 6.40 0.62 0.11 0.01 0.02 0.00 92.15 0.68 98 G C C 11.47 19.32 18.14 36.58 120.71 -142.09 -83.60 176.31 59.10 40.74 0.16 45.34 10.64 1.58 0.02 0.15 0.00 41.65 0.62 99 E C C 112.51 6.74 23.90 30.85 98.18 -95.45 -81.67 -3.92 71.61 28.17 0.23 41.78 25.91 3.29 0.03 0.24 0.00 27.94 0.81 100 G C C 15.58 15.52 20.45 35.36 124.77 -116.05 92.69 175.73 64.83 35.06 0.11 50.09 11.49 1.28 0.01 0.13 0.00 36.42 0.58 101 T E E 14.40 21.44 18.63 39.74 126.98 -102.54 -118.25 142.76 8.83 91.16 0.01 8.26 0.37 0.02 0.00 0.01 0.00 90.98 0.36 102 T E E 55.68 9.64 26.10 36.08 117.69 -137.50 -101.43 129.60 1.17 98.82 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.84 0.04 103 L E E 7.37 25.35 15.79 41.75 121.22 -165.02 -111.46 132.71 1.22 98.78 0.00 1.16 0.03 0.00 0.00 0.00 0.00 98.79 0.02 104 I E E 60.91 7.81 25.26 33.72 119.58 -162.35 -112.84 131.18 1.29 98.71 0.00 1.30 0.03 0.00 0.00 0.00 0.00 98.61 0.06 105 V E E 23.87 20.54 13.86 34.32 114.32 -146.66 -94.31 125.02 6.93 93.06 0.01 7.26 0.11 0.01 0.00 0.00 0.00 91.99 0.62 106 L C C 70.71 9.76 19.78 29.82 108.72 -157.47 -89.42 119.08 99.13 0.86 0.00 99.20 0.04 0.01 0.00 0.00 0.00 0.74 0.01