# 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 P C C 90.01 4.69 14.05 20.29 112.74 -115.46 -70.43 145.41 99.92 0.04 0.03 99.78 0.11 0.06 0.01 0.00 0.00 0.02 0.01 1 R C C 140.01 6.11 10.72 18.58 114.65 -129.08 -89.53 133.68 86.62 3.86 9.52 82.88 1.31 3.32 5.59 2.94 0.00 1.89 2.08 2 S C C 58.40 5.04 12.07 18.74 118.82 -142.36 -97.67 148.27 72.56 8.48 18.96 58.53 7.37 6.09 8.47 10.63 0.00 4.83 4.07 3 L C G 96.34 9.04 10.13 20.08 96.07 -127.39 -70.52 -19.12 48.58 5.24 46.18 22.57 11.16 17.21 10.06 34.04 0.07 3.36 1.53 4 K C G 148.12 2.66 13.43 17.35 97.20 68.14 -77.13 -15.93 48.82 6.48 44.70 17.94 11.55 22.23 9.97 32.09 0.14 4.31 1.77 5 K C G 134.58 3.58 13.10 18.07 104.09 68.67 -91.89 7.86 56.39 6.48 37.13 22.29 18.33 18.67 8.53 25.77 0.20 3.50 2.71 6 G C C 29.53 8.29 11.66 21.31 129.34 -135.55 118.76 -176.06 89.95 3.68 6.37 41.59 30.09 18.33 1.05 5.38 0.00 1.85 1.70 7 P C T 91.50 5.03 15.27 21.34 96.61 -30.35 -72.09 -13.79 91.95 2.38 5.66 20.95 29.36 41.91 0.74 4.85 0.00 1.43 0.75 8 F C C 99.43 9.93 15.51 25.93 100.99 59.21 -91.63 7.22 72.05 20.85 7.10 31.08 17.62 26.09 1.80 4.98 0.06 13.33 5.03 9 I C C 46.99 16.14 12.64 28.77 117.22 113.24 -95.93 128.37 71.11 26.75 2.14 57.86 10.82 1.16 1.70 0.71 0.00 14.45 13.30 10 D C C 58.41 9.43 16.62 27.30 108.01 -136.11 -88.26 112.65 94.27 3.99 1.74 93.31 1.21 0.52 1.31 0.23 0.00 2.55 0.87 11 L H H 92.99 6.82 15.78 24.21 93.76 -164.31 -66.69 -31.54 11.49 0.09 88.42 4.07 1.21 5.99 86.61 2.02 0.01 0.05 0.03 12 H H H 113.28 2.86 19.32 22.06 91.51 57.60 -64.57 -38.34 5.61 0.04 94.36 1.15 0.48 3.79 92.22 2.32 0.01 0.02 0.01 13 L H H 20.84 15.77 15.63 32.14 92.31 51.68 -65.36 -41.40 1.46 0.01 98.53 0.38 0.13 0.86 96.54 2.08 0.00 0.01 0.00 14 L H H 36.31 14.78 16.47 31.69 91.74 52.53 -63.17 -42.09 0.63 0.00 99.37 0.15 0.05 0.35 98.81 0.63 0.00 0.00 0.00 15 K H H 116.96 2.15 22.79 23.55 91.58 50.50 -63.91 -41.50 0.59 0.00 99.40 0.12 0.04 0.37 99.24 0.22 0.00 0.00 0.00 16 K H H 89.11 6.42 21.11 27.98 91.65 49.59 -64.96 -41.39 0.55 0.01 99.45 0.11 0.04 0.35 99.38 0.12 0.00 0.00 0.00 17 V H H 11.62 19.82 15.46 35.59 91.81 50.04 -64.10 -42.86 0.25 0.00 99.75 0.05 0.02 0.13 99.74 0.05 0.00 0.00 0.00 18 E H H 89.01 5.86 20.92 27.30 91.35 50.93 -63.03 -41.75 0.21 0.00 99.79 0.03 0.01 0.12 99.79 0.04 0.00 0.00 0.00 19 K H H 108.59 2.01 21.64 22.02 91.70 49.77 -64.47 -41.42 0.34 0.00 99.66 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 20 A H H 13.89 11.16 13.57 27.19 91.55 50.99 -63.63 -41.39 0.57 0.00 99.42 0.09 0.04 0.36 99.38 0.13 0.00 0.00 0.00 21 V H H 58.99 10.69 13.47 24.95 92.42 49.60 -65.17 -40.96 1.43 0.01 98.56 0.20 0.10 0.99 98.41 0.29 0.00 0.00 0.00 22 E H H 151.09 0.98 15.59 15.61 91.89 50.67 -66.76 -33.00 5.61 0.02 94.37 0.31 0.31 4.72 94.32 0.33 0.01 0.01 0.01 23 S C H 76.37 1.99 13.06 15.44 94.50 48.44 -87.16 -4.07 52.46 0.09 47.45 1.40 3.04 45.32 49.34 0.79 0.02 0.02 0.06 24 G C T 59.88 1.69 13.11 15.70 94.32 -114.71 77.06 14.57 99.05 0.07 0.88 11.64 7.72 79.85 0.44 0.28 0.00 0.04 0.03 25 D C C 69.41 6.81 10.99 19.65 112.00 138.13 -84.95 124.13 98.63 0.48 0.88 82.22 12.88 3.37 0.24 0.73 0.00 0.21 0.35 26 K C C 141.26 5.19 13.95 21.05 98.14 -159.28 -93.80 -2.27 98.85 0.58 0.56 74.61 21.34 2.79 0.10 0.56 0.00 0.28 0.33 27 K C C 118.66 3.59 18.55 23.27 118.24 111.27 -87.23 141.24 98.91 1.06 0.04 60.10 38.84 0.21 0.01 0.02 0.00 0.62 0.20 28 P C C 56.73 12.83 16.41 29.51 115.99 -105.09 -66.08 148.85 95.81 4.16 0.03 91.00 4.77 0.15 0.00 0.02 0.00 3.78 0.27 29 L E E 22.56 20.99 14.31 35.45 115.50 -120.96 -91.50 133.38 18.97 80.99 0.05 17.86 0.68 0.05 0.03 0.03 0.00 71.94 9.42 30 R E E 126.14 6.66 23.66 31.21 116.76 -143.58 -96.83 131.58 18.92 81.04 0.04 18.20 0.75 0.05 0.02 0.02 0.00 78.85 2.11 31 T C E 24.71 21.12 13.31 33.68 125.34 -162.29 -115.34 143.92 51.41 48.34 0.25 46.85 3.15 0.46 0.06 0.19 0.00 47.24 2.04 32 W C C 129.97 7.21 20.70 28.55 102.11 -165.84 -94.67 -15.64 78.22 20.77 1.01 40.04 33.60 5.53 0.17 0.97 0.00 17.88 1.79 33 S C C 33.97 12.74 16.24 29.61 124.36 54.15 -118.61 140.27 87.74 9.81 2.45 52.77 26.33 8.57 0.37 2.50 0.00 7.68 1.77 34 R C S 129.08 10.56 16.56 27.52 99.07 -168.34 -94.31 -11.94 85.98 6.04 7.98 26.14 33.80 26.59 0.78 7.33 0.01 4.06 1.29 35 R C S 154.07 3.42 20.82 24.71 102.08 57.89 -93.66 26.40 85.15 7.40 7.46 26.22 34.81 24.72 0.61 7.04 0.01 5.36 1.21 36 S C C 22.35 18.60 13.09 31.38 121.94 122.13 -91.76 149.89 77.53 17.17 5.30 60.06 13.45 3.63 0.60 4.96 0.00 16.04 1.27 37 T E E 64.58 7.72 23.91 32.25 120.97 -140.05 -109.55 134.86 31.23 68.35 0.42 26.89 3.09 0.43 0.20 0.29 0.00 61.03 8.06 38 I E E 25.66 22.08 14.79 36.73 117.94 -154.34 -103.52 128.52 22.81 77.13 0.06 21.77 0.83 0.04 0.05 0.03 0.00 57.11 20.18 39 F C C 63.72 10.28 19.42 30.76 113.71 -136.55 -83.48 132.81 98.53 1.46 0.01 98.53 0.37 0.01 0.00 0.00 0.00 0.99 0.09 40 P H G 72.44 9.78 16.17 27.07 91.36 -123.05 -58.70 -31.43 11.41 0.15 88.44 0.95 0.92 7.98 0.97 89.06 0.00 0.12 0.01 41 N H G 106.17 3.98 20.48 25.42 89.66 64.03 -68.97 -15.27 10.63 0.09 89.27 0.30 0.58 8.87 0.78 89.39 0.00 0.07 0.01 42 M H G 14.93 21.44 13.88 35.85 94.32 58.86 -92.84 -6.24 9.63 0.13 90.24 0.95 0.89 6.06 0.79 91.22 0.00 0.09 0.01 43 I C T 60.82 14.30 16.11 30.93 113.09 115.38 -63.29 133.31 96.79 1.46 1.75 0.66 1.56 95.52 0.21 0.83 0.00 0.54 0.69 44 G C T 43.15 4.17 22.25 27.22 94.23 23.16 84.46 -2.88 99.41 0.31 0.28 0.35 1.78 97.44 0.01 0.19 0.00 0.22 0.02 45 L C C 24.79 18.19 15.47 34.19 119.24 130.94 -77.23 146.34 94.97 5.01 0.02 91.02 3.58 0.09 0.00 0.02 0.00 5.16 0.12 46 T E E 43.86 10.35 24.91 35.99 118.47 -140.34 -106.28 130.12 1.31 98.68 0.00 1.31 0.04 0.00 0.00 0.00 0.00 98.47 0.17 47 I E E 4.74 25.13 18.20 43.99 123.85 -168.84 -119.32 134.70 0.10 99.90 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 48 A E E 17.47 12.41 25.54 39.04 118.02 -148.53 -101.89 132.09 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 49 V E E 7.56 22.11 18.99 41.47 120.76 -164.26 -115.49 130.11 0.37 99.63 0.00 0.33 0.02 0.00 0.00 0.00 0.00 99.65 0.01 50 H E E 45.22 12.02 18.86 32.19 114.98 -154.63 -103.84 122.10 6.30 93.65 0.05 5.05 0.77 0.15 0.01 0.03 0.00 93.82 0.16 51 N E E 61.23 9.29 16.30 27.18 102.67 176.23 -109.41 30.64 37.71 61.63 0.66 24.10 9.35 4.95 0.07 0.66 0.00 60.18 0.69 52 G C T 45.03 5.62 14.89 21.37 98.59 -85.65 76.96 -16.87 98.72 0.47 0.81 1.88 30.12 66.64 0.02 0.93 0.00 0.32 0.09 53 R C T 180.48 1.36 14.96 16.04 103.51 31.70 -99.67 -22.81 98.74 0.60 0.66 2.04 34.78 61.92 0.02 0.72 0.00 0.42 0.10 54 Q E E 116.77 2.18 16.71 19.25 127.42 36.77 -125.82 147.08 25.76 74.14 0.09 18.25 7.39 0.66 0.01 0.09 0.00 72.93 0.67 55 H E E 89.91 14.26 11.28 25.28 120.00 -133.86 -102.58 133.54 6.90 93.10 0.01 6.22 0.33 0.02 0.00 0.00 0.00 93.18 0.24 56 V E E 52.28 8.90 18.26 28.79 120.73 -169.58 -122.92 126.65 2.65 97.35 0.00 2.37 0.08 0.00 0.00 0.00 0.00 97.52 0.02 57 P E E 74.03 8.61 19.55 28.83 114.72 -119.78 -69.59 140.08 1.91 98.09 0.00 1.76 0.03 0.00 0.00 0.00 0.00 98.20 0.01 58 V E E 16.95 20.44 15.23 35.61 127.67 -174.78 -128.48 141.59 0.68 99.32 0.00 0.65 0.01 0.00 0.00 0.00 0.00 99.32 0.02 59 F E E 97.74 7.11 25.16 32.74 115.89 -134.53 -95.51 130.06 1.33 98.67 0.00 1.25 0.03 0.00 0.00 0.00 0.00 98.63 0.08 60 V E E 7.38 24.83 12.71 38.12 114.67 -144.62 -96.35 125.96 26.01 73.97 0.02 25.54 0.43 0.02 0.01 0.01 0.00 73.44 0.54 61 T C C 47.84 5.61 22.70 28.50 133.27 173.29 -128.73 171.27 95.05 4.78 0.17 92.39 2.86 0.15 0.08 0.06 0.00 4.11 0.34 62 D H G 97.42 7.74 15.03 24.14 90.95 -97.44 -60.42 -32.13 19.52 0.14 80.34 1.15 2.29 15.84 15.91 64.66 0.00 0.10 0.04 63 E H G 145.33 1.49 19.27 20.19 90.67 59.20 -69.56 -22.40 18.46 0.10 81.44 0.70 1.36 16.34 15.46 66.04 0.00 0.07 0.03 64 M H G 31.91 17.40 13.69 31.22 96.69 46.19 -96.82 -8.97 17.19 0.36 82.45 1.90 1.88 13.25 16.99 65.61 0.01 0.25 0.11 65 V C T 39.18 17.98 13.61 31.38 112.29 112.30 -66.47 133.96 61.26 4.02 34.72 4.73 5.22 49.18 25.77 10.48 0.39 2.32 1.91 66 G C T 37.97 7.49 19.95 28.20 96.36 20.78 83.68 -4.75 71.80 1.03 27.17 4.86 5.94 59.42 17.91 10.59 0.06 0.65 0.55 67 H C H 83.20 10.03 18.06 28.50 100.21 113.38 -78.51 -23.99 52.59 3.70 43.71 22.90 10.89 19.41 24.85 18.18 0.12 2.03 1.62 68 K H H 96.12 10.56 20.15 30.35 95.93 50.68 -68.72 -32.85 42.26 8.07 49.66 11.42 9.16 21.67 28.46 19.67 1.47 4.60 3.55 69 L H T 43.58 18.15 15.70 32.85 96.73 44.62 -71.97 -21.22 47.22 4.72 48.06 7.17 9.44 28.79 24.17 24.04 1.28 2.71 2.40 70 G C T 31.85 10.68 18.25 28.99 97.86 47.96 71.83 -15.80 56.17 3.59 40.25 13.28 11.80 31.56 14.93 24.51 0.24 1.93 1.76 71 E C T 98.90 7.75 18.54 26.94 95.62 79.31 -75.49 -19.27 62.59 5.40 32.01 19.86 14.70 29.24 9.63 21.07 0.12 3.31 2.08 72 F C C 84.81 12.77 14.96 27.79 103.23 46.38 -99.83 4.51 65.00 11.61 23.39 28.61 16.27 21.98 7.22 14.56 0.16 6.57 4.63 73 A C C 42.12 11.74 13.49 26.11 118.94 107.04 -94.42 139.74 89.61 8.62 1.76 58.27 29.81 1.96 0.87 0.89 0.00 5.78 2.42 74 P C C 81.03 6.55 13.97 21.87 112.78 -107.81 -68.42 145.35 87.22 9.80 2.97 76.07 7.38 3.47 1.07 1.83 0.00 7.21 2.97 75 T C C 89.36 6.31 10.88 18.80 113.65 -148.27 -96.17 122.51 84.98 11.66 3.35 68.79 10.92 4.73 1.13 2.31 0.00 7.54 4.59 76 R C C 156.53 3.72 10.63 16.16 117.06 -151.84 -104.48 132.32 83.68 13.07 3.25 57.08 21.23 5.48 1.01 2.33 0.00 9.10 3.75 77 T C C 103.72 2.56 9.49 13.85 114.53 -153.34 -100.63 131.04 82.51 14.40 3.09 59.32 17.84 5.45 0.90 2.29 0.00 11.20 3.01 78 Y C C 158.15 3.88 7.33 13.20 115.79 -152.48 -97.15 130.25 81.01 15.89 3.10 64.09 11.21 5.20 1.05 2.17 0.00 11.66 4.63 79 R C C 183.54 1.36 7.94 10.78 113.23 -158.45 -101.12 123.84 85.98 11.38 2.64 61.13 13.68 11.04 0.75 1.97 0.00 8.25 3.18 80 G C C 58.58 1.58 8.83 11.66 114.85 8.39 101.76 168.12 93.08 5.79 1.13 79.19 4.89 8.97 0.26 0.78 0.00 4.47 1.46 81 H C C 148.56 2.54 9.79 14.03 110.44 -73.99 -92.43 116.17 99.68 0.30 0.02 99.55 0.18 0.06 0.00 0.00 0.00 0.17 0.04