# 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 91.08 4.45 13.91 19.90 112.47 -115.07 -70.66 146.24 99.92 0.04 0.03 99.76 0.13 0.07 0.01 0.00 0.00 0.02 0.01 1 R C C 141.95 5.98 10.40 18.15 115.27 -127.99 -89.47 134.33 88.21 4.00 7.79 84.82 1.27 2.97 4.55 2.31 0.00 1.92 2.16 2 S C C 59.86 4.74 11.81 18.19 120.37 -145.93 -101.01 151.36 75.31 8.20 16.49 61.36 7.50 5.83 7.53 9.13 0.00 4.72 3.92 3 L C G 99.98 8.33 9.96 19.34 96.54 -127.30 -70.83 -19.42 52.21 5.68 42.11 25.58 11.85 16.95 9.32 30.94 0.06 3.65 1.65 4 K C G 147.86 2.66 13.17 17.12 97.93 69.32 -76.88 -16.88 52.45 7.10 40.45 20.35 12.62 22.35 9.15 28.80 0.13 4.66 1.95 5 K C C 135.55 3.57 13.28 18.20 104.22 65.02 -92.92 7.46 59.06 6.90 34.04 23.94 19.16 18.75 8.17 23.22 0.18 3.79 2.78 6 G C C 28.07 9.33 11.82 22.22 130.64 -112.99 127.99 176.73 91.62 4.26 4.12 45.48 33.13 13.11 0.79 3.38 0.00 2.29 1.81 7 P C S 84.35 6.30 15.50 22.74 101.46 -42.71 -72.03 2.17 92.30 3.59 4.11 29.39 32.45 30.96 0.63 3.40 0.00 2.23 0.93 8 F C C 97.96 10.35 15.88 26.63 106.75 67.59 -92.71 62.27 70.53 24.28 5.20 37.33 17.56 17.29 1.68 3.64 0.06 15.63 6.81 9 I C C 49.45 16.10 13.21 29.22 117.70 140.37 -97.97 127.60 73.23 24.90 1.87 61.70 9.12 1.10 1.45 0.66 0.00 14.92 11.05 10 D C C 57.92 9.76 16.60 27.56 107.55 -131.56 -86.12 113.01 94.22 4.20 1.58 93.19 1.32 0.48 1.18 0.22 0.00 2.63 0.98 11 L H H 92.26 6.79 15.76 24.16 93.75 -165.45 -66.06 -32.92 7.53 0.06 92.41 2.85 0.83 3.75 91.04 1.48 0.00 0.03 0.02 12 H H H 113.70 2.83 19.18 21.89 91.63 57.12 -64.51 -39.15 3.48 0.02 96.50 0.72 0.29 2.33 94.91 1.72 0.00 0.01 0.01 13 L H H 22.51 15.28 15.61 31.68 92.30 50.82 -65.54 -41.38 1.06 0.01 98.93 0.24 0.09 0.64 97.34 1.68 0.00 0.01 0.00 14 L H H 36.88 14.59 16.31 31.37 91.78 52.46 -63.15 -42.08 0.53 0.00 99.47 0.12 0.04 0.30 99.03 0.51 0.00 0.00 0.00 15 K H H 116.33 2.19 22.57 23.43 91.70 50.63 -64.09 -41.45 0.59 0.00 99.40 0.11 0.04 0.37 99.28 0.19 0.00 0.00 0.00 16 K H H 90.74 6.08 21.11 27.61 91.64 49.59 -64.88 -41.40 0.55 0.00 99.44 0.10 0.04 0.35 99.39 0.11 0.00 0.00 0.00 17 V H H 11.93 19.59 15.41 35.35 91.81 50.08 -64.16 -42.76 0.26 0.00 99.74 0.05 0.02 0.14 99.74 0.05 0.00 0.00 0.00 18 E H H 88.09 6.05 20.76 27.37 91.37 50.98 -63.04 -41.73 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 109.16 1.96 21.63 21.90 91.69 49.77 -64.46 -41.38 0.33 0.00 99.67 0.04 0.02 0.22 99.64 0.07 0.00 0.00 0.00 20 A H H 14.41 10.87 13.67 27.05 91.53 50.86 -63.67 -41.35 0.56 0.00 99.43 0.09 0.04 0.35 99.39 0.13 0.00 0.00 0.00 21 V H H 57.31 10.97 13.27 25.00 92.40 49.74 -65.02 -40.82 1.39 0.01 98.60 0.20 0.09 0.97 98.43 0.30 0.00 0.00 0.00 22 E H H 150.83 1.00 15.46 15.59 91.81 50.81 -66.58 -32.53 5.63 0.02 94.35 0.30 0.30 4.79 94.24 0.35 0.01 0.01 0.01 23 S C T 77.18 1.89 13.03 15.23 94.41 49.27 -86.89 -3.74 54.31 0.09 45.60 1.30 2.88 47.52 47.36 0.83 0.02 0.03 0.07 24 G C T 59.87 1.70 12.98 15.59 94.40 -113.52 77.46 14.09 98.96 0.07 0.96 10.56 7.66 80.92 0.50 0.29 0.00 0.04 0.03 25 D C C 71.72 6.44 11.19 19.46 112.39 137.70 -88.06 124.25 98.57 0.52 0.91 80.61 13.92 3.87 0.24 0.76 0.00 0.23 0.36 26 K C C 137.19 5.90 13.70 21.43 99.29 -161.44 -95.37 3.33 98.64 0.73 0.63 77.97 17.64 2.86 0.12 0.64 0.00 0.36 0.42 27 K C C 117.01 3.78 18.39 23.36 119.43 115.49 -88.45 141.36 98.76 1.20 0.04 65.63 33.17 0.22 0.01 0.03 0.00 0.73 0.22 28 P C C 58.49 12.30 16.41 29.09 115.97 -104.31 -65.58 148.23 95.31 4.67 0.03 90.31 4.93 0.15 0.00 0.02 0.00 4.28 0.30 29 L E E 24.39 20.68 14.14 34.88 115.64 -124.07 -92.73 133.17 16.57 83.38 0.05 15.46 0.61 0.04 0.03 0.02 0.00 73.57 10.25 30 R E E 127.11 6.64 23.28 30.83 116.99 -144.25 -97.34 132.06 18.70 81.26 0.04 17.93 0.77 0.06 0.02 0.02 0.00 79.45 1.75 31 T C E 26.51 20.62 13.44 33.29 126.07 -169.48 -116.49 144.29 50.94 48.77 0.28 46.51 3.06 0.49 0.07 0.21 0.00 47.82 1.84 32 W C C 127.12 7.67 20.20 28.52 102.78 -165.56 -96.96 -11.94 77.28 21.63 1.09 40.73 31.92 5.63 0.19 1.02 0.00 18.64 1.87 33 S C C 36.55 12.21 16.49 29.34 123.28 51.04 -116.19 138.54 87.46 10.24 2.30 54.27 25.11 8.13 0.41 2.19 0.00 8.04 1.85 34 R C C 124.17 11.19 16.05 27.53 99.01 -167.06 -91.93 -12.52 82.37 5.86 11.77 29.91 29.50 23.83 1.42 10.04 0.01 3.91 1.39 35 R C S 151.05 4.05 20.17 24.81 100.75 63.72 -89.63 6.74 82.59 5.41 12.01 24.12 35.47 23.94 1.21 10.36 0.01 3.70 1.19 36 S C C 26.86 17.19 13.56 30.61 118.84 94.86 -91.04 148.26 75.03 13.34 11.63 50.41 17.94 6.95 1.32 10.43 0.00 11.57 1.38 37 T E E 63.96 8.28 22.79 31.69 120.42 -139.45 -107.20 134.24 43.59 54.32 2.09 35.57 5.78 1.53 0.83 1.50 0.01 46.59 8.19 38 I E E 31.74 20.97 14.92 35.86 117.54 -151.36 -101.45 127.59 32.29 67.49 0.22 29.75 2.14 0.14 0.16 0.09 0.00 44.11 23.62 39 F C C 64.00 10.86 19.15 30.96 113.59 -147.68 -92.77 125.50 98.44 1.53 0.03 97.96 0.82 0.04 0.01 0.01 0.00 1.04 0.13 40 P H G 72.94 9.65 16.13 26.90 91.74 -130.20 -59.12 -31.20 13.08 0.18 86.74 1.29 1.15 8.96 1.15 87.29 0.00 0.15 0.01 41 N H G 105.33 4.17 20.29 25.49 89.62 63.96 -69.09 -15.61 12.28 0.11 87.62 0.36 0.70 10.11 0.89 87.83 0.00 0.08 0.01 42 M H G 14.79 21.43 13.80 35.76 94.41 57.77 -93.90 -5.84 11.39 0.14 88.46 1.05 1.03 7.36 0.86 89.60 0.00 0.10 0.01 43 I C T 61.60 14.14 15.82 30.57 112.75 116.42 -63.22 133.17 97.16 1.16 1.67 0.60 1.47 95.94 0.22 0.77 0.00 0.42 0.57 44 G C T 44.29 3.97 22.08 26.82 93.94 22.36 84.31 -2.94 99.49 0.22 0.29 0.30 1.70 97.63 0.01 0.18 0.00 0.15 0.02 45 L C C 26.25 17.82 15.58 33.91 120.39 128.73 -79.62 147.91 95.11 4.87 0.03 89.69 5.00 0.12 0.00 0.03 0.00 5.01 0.15 46 T E E 44.41 10.29 24.87 35.90 118.25 -136.51 -105.31 130.17 1.45 98.55 0.00 1.43 0.05 0.00 0.00 0.00 0.00 98.34 0.18 47 I E E 4.69 25.18 18.15 44.01 124.08 -169.36 -119.46 135.51 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 48 A E E 17.16 12.62 25.69 39.38 118.28 -147.57 -102.33 131.82 0.11 99.89 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 49 V E E 7.32 22.29 19.24 41.92 120.91 -164.77 -115.11 129.78 0.45 99.55 0.00 0.39 0.02 0.00 0.00 0.00 0.00 99.57 0.01 50 H E E 42.61 12.46 19.17 32.83 114.92 -155.59 -104.55 121.62 7.23 92.71 0.06 5.78 0.92 0.20 0.01 0.04 0.00 92.85 0.20 51 N E E 59.97 9.75 16.71 27.92 102.11 176.25 -109.15 29.36 40.77 58.38 0.85 24.58 10.65 6.54 0.09 0.87 0.00 56.52 0.75 52 G C T 43.77 6.22 15.10 22.10 98.42 -86.56 77.48 -14.36 98.46 0.54 1.01 2.24 30.97 65.13 0.03 1.16 0.00 0.36 0.11 53 R C T 178.30 1.46 15.38 16.67 103.63 36.33 -99.40 -23.56 98.48 0.72 0.80 2.48 36.04 59.96 0.03 0.87 0.00 0.50 0.12 54 Q E E 116.13 2.27 17.00 19.65 127.44 37.22 -126.43 147.33 27.73 72.17 0.10 19.87 7.75 0.70 0.02 0.10 0.00 70.85 0.71 55 H E E 88.28 14.64 11.61 25.89 119.88 -131.13 -99.84 133.24 7.89 92.10 0.01 7.13 0.39 0.03 0.00 0.00 0.00 92.18 0.26 56 V E E 48.65 9.60 18.46 29.65 120.68 -169.08 -122.86 126.69 2.75 97.25 0.00 2.46 0.09 0.00 0.00 0.00 0.00 97.43 0.03 57 P E E 72.28 8.80 20.25 29.59 114.76 -119.30 -69.51 139.89 1.87 98.13 0.00 1.73 0.03 0.00 0.00 0.00 0.00 98.23 0.01 58 V E E 14.53 21.27 15.33 36.57 127.81 -174.30 -129.19 141.11 0.73 99.27 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.28 0.02 59 F E E 94.38 7.28 25.52 33.30 116.12 -135.77 -94.65 131.13 1.39 98.61 0.00 1.34 0.03 0.00 0.00 0.00 0.00 98.54 0.10 60 V E E 7.68 24.88 12.96 38.46 114.36 -142.81 -94.62 125.95 26.97 73.01 0.02 26.53 0.46 0.02 0.01 0.01 0.00 72.38 0.60 61 T C C 46.66 5.87 22.63 28.79 134.30 170.00 -130.93 171.62 95.86 4.02 0.12 92.93 3.18 0.14 0.04 0.05 0.00 3.33 0.33 62 D H G 99.23 7.36 15.22 24.10 90.76 -96.82 -61.03 -31.32 19.65 0.14 80.21 0.97 2.31 15.88 4.60 76.11 0.00 0.09 0.03 63 E H G 143.91 1.70 19.56 20.95 90.63 61.10 -70.22 -20.56 19.05 0.10 80.85 0.59 1.35 16.73 4.27 76.97 0.00 0.07 0.02 64 M H G 25.30 18.68 13.38 32.25 96.27 48.14 -96.63 -7.38 18.54 0.36 81.09 1.89 2.08 14.29 4.90 76.48 0.00 0.25 0.10 65 V C T 43.03 17.23 13.80 31.01 112.53 111.75 -65.25 133.90 85.54 5.22 9.25 4.94 5.43 75.57 4.87 3.80 0.08 2.73 2.58 66 G C T 40.47 6.55 20.58 28.13 95.17 21.37 83.22 -3.43 92.90 1.14 5.95 4.72 7.12 81.38 2.34 3.26 0.01 0.76 0.41 67 H C C 71.81 11.94 16.78 29.08 117.70 125.03 -88.52 150.75 77.04 4.39 18.57 52.33 14.28 10.31 10.36 7.86 0.01 2.00 2.84 68 K C T 105.69 8.22 21.30 29.47 102.24 -113.63 -71.36 25.77 48.54 12.19 39.27 15.85 12.79 21.12 18.80 17.38 1.47 5.41 7.18 69 L H G 41.69 19.33 15.43 33.65 98.18 -46.53 -70.52 -20.23 45.47 4.00 50.53 7.05 9.37 28.06 18.91 31.43 0.75 2.32 2.10 70 G H G 29.00 12.16 17.64 29.56 97.22 46.86 -38.28 -16.95 40.69 2.70 56.61 10.54 8.30 22.71 15.58 40.08 0.12 1.55 1.14 71 E C G 103.99 6.80 18.65 26.23 94.01 80.79 -74.68 -21.56 50.06 3.54 46.40 12.24 11.13 27.12 12.57 33.18 0.13 2.22 1.42 72 F C T 93.91 10.78 15.36 26.54 100.64 45.21 -99.30 1.21 58.90 8.26 32.84 18.83 15.97 26.21 9.86 20.54 0.35 4.27 3.97 73 A C C 38.80 13.28 11.94 25.65 118.34 101.41 -92.20 139.49 91.15 6.24 2.61 49.02 39.94 2.65 1.31 1.19 0.00 3.53 2.35 74 P C C 84.52 5.62 14.30 21.26 111.50 -108.01 -68.70 144.19 88.88 6.53 4.60 70.11 11.90 6.66 1.56 3.10 0.00 4.43 2.23 75 T C C 89.88 6.24 11.18 18.98 112.62 -145.41 -97.35 124.94 83.66 11.52 4.83 63.81 12.33 6.85 1.65 3.32 0.00 7.22 4.82 76 R C C 146.51 5.03 10.91 17.64 119.03 -157.02 -109.43 137.18 82.09 13.93 3.98 57.77 18.76 5.31 1.57 2.54 0.01 9.69 4.35 77 T C C 101.05 2.82 10.62 15.32 117.51 -150.06 -104.12 131.54 80.86 15.20 3.94 57.87 17.64 5.38 1.49 2.50 0.00 11.54 3.58 78 Y C C 148.75 5.34 7.95 15.07 115.97 -146.79 -95.90 132.11 80.35 15.54 4.12 63.26 11.26 5.26 1.67 2.53 0.00 11.31 4.70 79 R C C 178.95 1.66 9.24 12.39 111.22 -159.11 -95.26 115.53 83.91 10.40 5.69 53.40 16.33 14.57 1.87 3.73 0.01 7.28 2.81 80 G C C 56.66 2.08 9.44 12.95 114.77 -21.53 94.69 154.69 84.88 8.58 6.55 41.47 24.09 20.35 1.52 4.80 0.01 5.63 2.13 81 H C C 144.27 2.89 7.42 12.17 113.39 -92.91 -94.80 127.73 81.51 10.86 7.63 52.83 15.61 13.01 2.46 5.15 0.01 7.19 3.74 82 A C C 84.83 2.46 7.91 12.18 114.09 -152.41 -93.65 132.99 90.04 5.60 4.36 80.86 2.42 7.41 1.43 2.12 0.00 3.90 1.86 83 A C C 84.54 2.81 10.48 14.99 111.13 -128.74 -86.35 133.89 99.83 0.14 0.03 99.62 0.16 0.10 0.01 0.00 0.00 0.09 0.02