# 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 84.24 11.26 9.71 21.35 116.52 -132.35 -84.13 142.61 99.90 0.09 0.01 99.83 0.09 0.02 0.00 0.00 0.00 0.03 0.02 1 K C C 133.67 2.83 11.27 15.56 116.08 -118.27 -79.33 143.06 96.05 2.24 1.71 94.41 0.77 1.23 0.77 0.44 0.00 0.60 1.79 2 E C T 160.58 1.24 10.22 12.62 109.89 -97.18 -63.61 134.05 91.67 1.70 6.63 6.91 10.03 74.31 1.20 5.40 0.00 0.88 1.26 3 G C T 62.93 1.02 11.90 12.93 96.14 18.33 82.76 -1.92 93.73 0.66 5.61 6.11 10.62 76.61 0.66 5.28 0.00 0.41 0.31 4 I C C 85.00 6.89 9.65 18.11 100.78 98.81 -87.24 -12.06 80.44 11.62 7.94 37.66 28.25 14.01 1.81 5.81 0.03 4.05 8.39 5 H C C 88.72 9.04 9.67 19.93 118.55 60.36 -99.53 135.00 89.98 7.72 2.30 52.77 31.60 5.59 0.46 2.11 0.00 4.55 2.90 6 P C C 74.20 5.85 13.03 20.47 112.31 -41.81 -70.07 151.39 94.48 3.10 2.42 54.45 18.81 20.69 0.24 2.94 0.00 2.34 0.54 7 K C C 147.27 2.48 16.24 19.52 112.25 -102.95 -80.88 133.36 84.34 12.81 2.85 53.54 13.96 16.11 0.27 3.53 0.00 11.31 1.29 8 L C C 67.07 15.07 9.31 23.65 118.68 -145.01 -94.99 138.05 60.22 39.45 0.33 54.01 4.67 0.67 0.09 0.28 0.00 35.36 4.92 9 V E E 72.29 5.91 16.91 24.16 122.10 -161.13 -115.72 136.73 42.60 57.36 0.04 38.02 3.72 0.14 0.01 0.04 0.00 56.81 1.27 10 P E E 86.91 5.87 16.91 24.18 113.77 -107.39 -68.00 140.57 35.58 64.40 0.02 32.43 1.56 0.07 0.00 0.02 0.00 65.65 0.27 11 A E E 18.58 16.18 12.27 28.97 132.51 -176.22 -133.60 156.56 12.69 87.31 0.00 11.73 0.48 0.01 0.00 0.00 0.00 87.66 0.11 12 R E E 121.03 5.54 21.08 27.42 117.83 -124.65 -104.14 131.50 0.86 99.14 0.00 0.80 0.02 0.00 0.00 0.00 0.00 99.18 0.01 13 I E E 19.28 19.58 13.66 33.51 121.12 -166.34 -113.46 133.47 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 14 I E E 67.57 6.33 21.07 28.48 115.53 -154.50 -106.40 124.00 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.67 0.03 15 C E E 16.93 16.96 11.30 28.61 123.46 -155.78 -90.10 166.36 47.89 52.07 0.05 47.16 0.74 0.08 0.01 0.03 0.00 51.26 0.72 16 G C T 45.88 5.90 15.29 22.46 91.45 -102.19 -63.24 -24.91 98.31 0.82 0.87 0.60 5.75 92.06 0.02 0.84 0.00 0.63 0.10 17 C C T 76.94 4.71 14.23 20.26 93.28 57.74 -88.27 0.59 99.19 0.21 0.60 0.26 5.49 93.51 0.01 0.56 0.00 0.12 0.04 18 G C S 52.08 2.48 15.48 18.52 98.01 -100.73 88.58 4.80 98.47 1.07 0.46 13.25 83.42 1.99 0.04 0.36 0.00 0.61 0.32 19 N C C 68.95 7.04 12.65 21.74 117.99 135.78 -77.61 144.10 95.01 4.96 0.04 94.12 1.15 0.14 0.01 0.02 0.00 4.22 0.34 20 V E E 86.07 7.82 14.22 24.06 123.76 -158.28 -122.20 135.15 1.37 98.63 0.00 1.25 0.07 0.00 0.00 0.00 0.00 98.56 0.12 21 I E E 51.26 12.55 14.17 27.97 125.49 -171.83 -125.40 137.52 0.15 99.85 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 22 E E E 112.44 5.83 18.51 25.80 117.89 -147.63 -101.96 130.71 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 23 T E E 32.07 15.57 12.79 28.79 132.51 171.87 -135.05 154.88 2.06 97.94 0.00 1.96 0.04 0.00 0.00 0.00 0.00 97.96 0.03 24 Y E E 139.27 4.49 19.65 25.14 120.19 -146.88 -111.25 134.64 19.99 79.99 0.02 16.61 2.42 0.14 0.00 0.02 0.00 80.60 0.21 25 S C E 28.96 16.20 10.58 26.38 130.66 139.51 -124.56 157.94 50.85 49.03 0.11 43.07 6.66 0.57 0.02 0.11 0.00 47.97 1.59 26 T C S 97.79 3.43 16.93 21.31 96.45 -144.16 -89.01 -8.01 94.08 5.85 0.07 32.07 61.00 1.28 0.01 0.07 0.00 5.11 0.46 27 K C S 97.03 6.82 12.95 21.53 118.09 89.80 -90.64 136.10 95.70 4.22 0.07 33.31 62.44 0.61 0.01 0.06 0.00 3.01 0.56 28 P C S 99.25 3.44 15.15 19.88 94.50 -132.19 -67.24 -29.99 96.01 3.87 0.11 31.29 60.45 4.03 0.01 0.14 0.00 3.86 0.21 29 E E E 113.89 4.44 16.26 21.85 125.88 22.80 -130.00 134.56 45.52 54.28 0.20 35.91 6.64 1.64 0.02 0.25 0.00 54.99 0.56 30 I E E 45.99 16.22 11.48 27.71 121.84 -169.84 -122.22 130.47 8.85 91.12 0.02 8.48 0.29 0.02 0.00 0.01 0.00 90.56 0.64 31 Y E E 143.74 3.97 20.04 24.79 116.19 -154.84 -106.57 126.32 4.87 95.12 0.01 4.73 0.13 0.01 0.00 0.00 0.00 94.48 0.64 32 V E E 35.42 17.78 10.87 28.24 123.26 -171.81 -116.91 135.14 23.85 76.07 0.08 23.15 0.59 0.07 0.02 0.05 0.00 75.52 0.60 33 E C S 116.80 3.90 19.68 23.81 99.42 -152.85 -83.39 -26.32 71.22 28.55 0.23 33.44 36.10 1.12 0.03 0.22 0.00 28.55 0.54 34 V C C 61.38 9.15 15.64 25.89 126.25 25.55 -128.06 138.85 70.74 28.90 0.36 45.84 25.62 0.83 0.15 0.29 0.00 19.81 7.46 35 C C C 34.47 11.57 14.14 27.10 123.56 -163.74 -111.06 149.94 94.49 5.21 0.30 93.83 1.28 0.23 0.10 0.15 0.00 3.01 1.41 36 S C T 62.79 7.26 14.52 23.22 92.22 -118.38 -62.84 -26.84 57.39 0.60 42.01 3.80 4.96 46.06 1.66 42.96 0.00 0.33 0.23 37 K C T 145.44 2.31 17.09 19.93 91.75 61.80 -72.24 -22.11 61.87 0.20 37.93 0.80 3.01 56.82 1.24 37.95 0.00 0.11 0.08 38 C C T 52.59 9.16 13.32 23.87 99.45 41.10 -102.09 -6.10 60.82 0.56 38.62 2.76 6.43 49.41 1.77 39.06 0.00 0.30 0.27 39 H C C 53.01 11.52 10.81 23.67 115.72 104.07 -84.95 134.53 95.63 1.32 3.04 66.10 28.33 0.78 2.39 0.54 0.00 0.26 1.61 40 P H G 74.64 4.66 14.54 20.85 93.43 -141.11 -63.09 -28.79 36.16 0.20 63.64 2.45 2.80 28.36 28.21 37.91 0.03 0.10 0.16 41 F H G 109.81 5.68 12.69 19.75 93.14 58.51 -70.17 -29.56 31.23 0.36 68.41 1.99 2.55 24.34 30.18 40.43 0.08 0.19 0.24 42 Y H G 117.11 6.69 10.98 19.04 95.64 53.91 -76.75 -22.20 27.72 1.26 71.02 4.34 4.32 17.53 29.52 42.87 0.19 0.70 0.53 43 T C T 83.55 3.17 11.58 15.95 97.46 49.92 -91.10 -4.95 53.26 2.39 44.35 7.22 10.70 33.89 24.02 20.88 0.45 1.20 1.64 44 G C T 55.00 2.90 10.52 15.07 98.14 -110.79 77.56 4.60 86.90 1.01 12.09 14.40 21.17 51.66 5.65 5.97 0.01 0.48 0.66 45 Q C C 141.99 1.10 11.55 12.70 99.45 102.14 -87.02 -14.15 89.75 2.05 8.20 43.42 26.45 19.90 2.88 5.29 0.00 1.05 1.01 46 Q C C 110.88 4.70 8.88 15.50 117.49 65.77 -105.00 133.28 87.17 6.05 6.78 62.63 17.25 6.99 2.58 4.38 0.00 4.52 1.65 47 R C C 171.69 2.24 10.72 14.54 114.98 -160.94 -99.96 130.37 84.13 11.30 4.57 70.89 9.60 3.27 2.11 2.60 0.00 9.39 2.14 48 F C C 143.72 3.96 9.76 15.62 113.21 -139.45 -92.25 127.31 77.16 19.23 3.60 65.88 8.66 2.14 2.36 1.54 0.00 14.40 5.01 49 V C C 91.69 5.38 9.75 16.95 117.51 -154.47 -104.73 130.55 79.57 16.04 4.40 67.40 9.21 2.27 3.36 1.36 0.00 12.44 3.96 50 D C C 94.73 4.40 10.64 16.78 109.82 -143.88 -91.19 111.09 86.82 7.87 5.30 73.68 9.23 3.41 3.95 1.59 0.00 6.25 1.88 51 T C C 85.06 5.05 10.36 17.07 101.62 171.90 -91.97 0.67 76.54 3.04 20.42 47.87 18.28 9.38 18.74 2.93 0.01 1.62 1.16 52 E C H 129.75 2.36 11.87 15.21 98.45 86.88 -74.44 -18.46 51.37 0.91 47.72 12.90 16.29 22.28 44.64 2.98 0.09 0.42 0.41 53 G H H 41.80 3.12 13.38 17.36 101.32 15.94 -1.78 -39.01 42.87 0.83 56.30 13.51 12.25 17.94 52.92 2.56 0.07 0.36 0.39 54 R H H 119.15 4.67 13.60 19.43 93.84 52.94 -67.58 -38.49 11.36 0.47 88.17 5.62 2.29 4.26 85.98 1.41 0.03 0.28 0.13 55 V H H 55.73 7.94 12.43 21.86 92.64 51.82 -65.76 -41.42 3.93 0.37 95.70 1.86 0.68 1.73 94.61 0.79 0.02 0.26 0.05 56 E H H 100.23 2.40 15.86 18.33 92.06 51.17 -64.78 -40.98 2.30 0.36 97.35 1.14 0.33 1.01 96.52 0.67 0.01 0.30 0.03 57 R H H 123.01 2.15 16.00 17.96 92.07 50.36 -65.02 -41.39 2.11 0.35 97.55 0.94 0.29 1.02 96.77 0.65 0.01 0.29 0.03 58 F H H 69.83 7.01 12.86 21.78 92.13 50.11 -65.01 -41.36 1.87 0.25 97.88 0.79 0.25 0.95 97.16 0.63 0.01 0.20 0.02 59 Q H H 89.14 5.64 13.16 20.31 92.04 52.19 -64.53 -39.61 1.60 0.13 98.27 0.56 0.18 0.89 97.61 0.64 0.01 0.11 0.01 60 R H H 164.49 1.15 14.91 15.32 92.50 50.64 -66.03 -38.56 2.64 0.09 97.27 0.48 0.22 1.93 96.23 1.05 0.01 0.07 0.01 61 R H H 149.06 2.00 14.21 16.39 94.78 46.17 -72.11 -36.62 5.52 0.07 94.41 0.55 0.41 4.49 93.52 0.96 0.01 0.04 0.02 62 Y H H 108.15 6.50 11.35 19.41 101.65 32.04 -102.74 -9.96 19.14 0.24 80.62 2.87 3.38 13.54 78.82 1.09 0.08 0.08 0.15 63 G C C 31.15 6.04 11.38 19.21 110.47 125.92 12.25 -141.27 57.22 0.97 41.81 31.88 7.84 17.52 20.28 21.43 0.01 0.47 0.57 64 D H G 112.80 2.15 12.53 15.39 96.75 -20.94 -77.15 -16.51 45.39 0.72 53.90 12.32 9.06 23.56 24.81 29.40 0.07 0.36 0.42 65 S H G 73.49 2.58 11.80 15.43 97.50 67.09 -78.03 -16.03 39.37 0.75 59.88 15.22 7.24 16.34 29.90 30.52 0.03 0.38 0.37 66 Y H H 117.79 6.86 9.42 17.67 105.44 72.90 -84.72 41.07 45.61 1.53 52.86 24.05 10.21 11.81 34.09 18.34 0.03 0.74 0.72 67 R C C 145.26 4.06 9.86 15.60 106.90 62.65 -84.51 94.01 55.14 2.28 42.57 31.70 10.36 13.67 30.33 11.64 0.02 1.14 1.13 68 K C T 152.05 2.11 9.11 12.87 107.21 -133.32 -80.98 106.10 66.74 1.60 31.67 25.26 11.66 30.70 22.42 8.28 0.03 0.76 0.88 69 G C C 60.26 1.51 9.66 12.26 103.76 18.22 47.40 6.76 82.55 0.63 16.82 48.11 3.08 32.84 11.18 4.09 0.00 0.33 0.37 70 R C C 162.02 2.96 9.73 14.45 106.72 102.44 -86.26 68.76 99.84 0.07 0.09 99.58 0.17 0.14 0.05 0.01 0.00 0.03 0.01