# 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 120.21 4.76 10.63 17.40 116.12 173.51 -95.81 133.79 99.75 0.24 0.02 99.67 0.12 0.05 0.01 0.00 0.00 0.13 0.02 1 G C C 52.59 2.84 10.13 14.72 118.25 95.49 -111.53 162.30 83.77 15.31 0.92 79.26 1.84 2.45 0.36 0.44 0.00 12.46 3.18 2 R C C 171.52 2.23 8.43 12.56 115.60 -112.81 -99.80 133.09 73.31 23.85 2.85 55.51 12.49 4.77 1.05 1.99 0.00 19.83 4.37 3 Q C C 135.22 1.96 8.45 12.21 116.97 -151.57 -103.34 133.71 72.68 23.08 4.24 58.40 8.76 4.50 1.40 3.16 0.00 19.01 4.77 4 F C C 149.11 3.47 6.90 12.30 115.06 -142.70 -90.95 130.65 59.60 12.40 28.00 31.83 10.18 18.88 3.41 24.32 0.02 8.84 2.52 5 G C T 58.12 1.71 10.29 12.93 107.82 9.56 85.05 -102.91 65.17 4.55 30.28 16.75 13.99 34.51 2.66 27.80 0.02 3.13 1.14 6 H C C 159.86 1.08 10.35 11.79 107.68 14.21 -93.62 81.14 64.90 6.12 28.97 26.86 17.73 21.32 3.05 25.52 0.03 4.00 1.49 7 L C C 107.83 4.57 6.29 12.87 116.69 135.87 -87.18 136.64 77.29 15.91 6.80 57.40 15.05 4.57 2.76 4.29 0.01 12.01 3.91 8 T C C 100.81 1.87 8.55 12.06 119.47 -149.20 -105.07 140.87 73.64 22.34 4.02 62.95 6.89 2.94 2.02 1.99 0.00 20.92 2.30 9 R C C 181.40 1.60 7.56 11.10 116.00 -134.78 -99.12 132.07 60.69 35.50 3.81 49.07 7.75 3.18 2.00 2.00 0.01 32.28 3.71 10 V C C 104.72 2.53 6.36 10.94 118.64 -164.82 -113.80 129.97 55.54 41.77 2.69 46.71 5.15 2.20 1.75 1.23 0.01 34.71 8.24 11 R C T 194.54 0.72 7.90 9.15 111.86 -121.08 -77.61 128.29 82.29 14.06 3.65 29.69 15.29 38.18 1.66 1.70 0.01 11.74 1.73 12 H C T 173.63 0.64 9.21 9.77 96.38 1.53 67.23 21.51 91.38 5.94 2.68 22.65 21.39 47.74 0.93 1.46 0.00 5.18 0.64 13 V C E 98.04 2.97 6.41 11.51 121.08 113.39 -114.24 135.10 54.94 43.25 1.82 35.68 13.16 7.30 0.82 1.11 0.01 38.03 3.90 14 I E E 123.88 2.28 8.48 12.59 116.55 -153.26 -104.05 128.30 43.68 55.62 0.71 37.46 4.13 1.32 0.38 0.35 0.00 54.32 2.03 15 T E E 95.76 3.27 8.56 14.20 122.36 -166.58 -118.34 137.00 39.98 59.33 0.69 34.50 3.66 0.96 0.39 0.31 0.00 58.62 1.56 16 Y E E 143.19 4.01 9.32 15.60 125.19 -171.76 -126.10 142.65 38.09 61.19 0.72 32.58 3.94 1.05 0.37 0.36 0.00 60.09 1.61 17 S E E 82.55 2.65 11.23 16.06 124.71 -162.18 -122.72 142.92 45.15 54.40 0.45 38.96 4.50 0.82 0.20 0.26 0.00 53.23 2.02 18 L C C 84.63 7.85 8.36 17.70 119.39 -143.31 -101.96 140.95 65.97 33.84 0.19 61.13 4.09 0.26 0.11 0.11 0.00 29.21 5.09 19 S C C 55.94 3.41 11.97 16.83 116.63 -109.60 -73.44 150.82 99.44 0.50 0.06 98.52 1.01 0.07 0.03 0.01 0.00 0.27 0.09 20 P H H 97.03 3.36 10.44 15.55 91.92 -113.07 -59.06 -32.39 24.22 0.14 75.64 2.10 2.15 17.74 43.78 34.05 0.03 0.07 0.07 21 F H H 156.20 1.17 11.79 12.92 93.19 57.79 -71.35 -23.30 22.31 0.19 77.50 1.93 1.94 16.22 43.01 36.64 0.06 0.10 0.10 22 E H H 91.58 5.20 10.39 17.22 96.80 51.86 -84.72 -12.51 17.61 0.49 81.90 5.12 2.77 8.68 44.67 38.29 0.03 0.28 0.16 23 Q H H 77.57 8.66 8.78 18.71 94.17 82.41 -65.58 -34.74 27.68 0.86 71.46 9.97 4.64 12.35 48.30 23.88 0.06 0.43 0.38 24 R H H 175.07 1.24 12.98 14.32 94.35 59.51 -69.41 -26.96 45.07 0.65 54.29 6.80 4.84 31.25 33.74 22.50 0.14 0.34 0.39 25 A C T 75.16 2.17 11.58 14.56 94.70 57.41 -73.13 -25.92 52.72 0.75 46.52 5.17 7.98 37.59 28.34 19.77 0.22 0.39 0.54 26 F C C 95.62 6.96 9.25 17.69 106.16 38.11 -117.32 58.99 86.27 1.43 12.31 44.19 34.33 8.11 6.97 4.61 0.01 0.42 1.36 27 P C T 79.71 4.14 11.26 17.21 108.15 155.08 -64.72 135.72 68.07 0.51 31.42 9.84 4.87 52.95 12.38 19.30 0.01 0.24 0.42 28 H C T 126.19 3.18 12.58 16.78 96.34 26.08 4.26 5.49 60.93 0.28 38.78 5.29 5.06 49.21 18.06 21.95 0.03 0.13 0.27 29 Y H G 118.79 5.06 10.48 17.44 93.95 100.41 -66.11 -36.90 41.29 0.75 57.95 9.98 6.70 23.41 25.47 33.57 0.05 0.35 0.47 30 F H H 130.06 3.48 11.32 16.16 95.40 48.87 -76.34 -27.39 44.88 2.02 53.10 10.24 8.51 25.27 28.01 25.56 0.30 0.99 1.12 31 S C T 69.63 3.03 12.36 16.44 99.01 50.68 -83.16 -27.75 53.70 2.49 43.81 13.50 14.65 25.96 24.24 18.60 0.34 1.16 1.56 32 K C T 137.51 2.40 12.91 15.99 101.11 37.23 -90.04 -20.39 72.14 1.19 26.67 8.47 18.50 45.15 18.00 8.27 0.12 0.52 0.98 33 G C T 37.05 4.91 12.39 18.62 107.23 38.10 -80.17 -70.07 74.77 1.14 24.09 16.39 20.54 38.76 17.40 5.55 0.06 0.44 0.86 34 I C H 95.31 4.36 12.58 18.01 103.77 20.16 -81.63 -26.95 52.62 1.30 46.08 30.96 13.62 9.39 40.46 4.34 0.02 0.47 0.74 35 P H H 75.36 3.70 13.51 18.31 97.22 53.66 -67.29 -32.03 47.82 1.03 51.14 20.32 7.21 20.74 46.09 4.55 0.06 0.51 0.52 36 N H H 76.10 5.07 12.98 19.51 96.60 49.64 -71.77 -23.24 42.99 0.82 56.19 20.24 5.86 17.80 51.00 4.26 0.04 0.37 0.43 37 V H H 72.43 4.36 13.39 19.30 93.38 76.81 -65.04 -39.86 12.02 0.27 87.72 5.94 2.26 4.55 85.25 1.76 0.02 0.12 0.10 38 L H H 93.36 2.58 14.62 17.52 92.00 51.21 -64.72 -41.05 3.70 0.07 96.23 1.31 0.61 1.82 95.15 1.04 0.01 0.04 0.02 39 R H H 126.15 2.45 14.65 17.51 92.23 49.90 -65.44 -40.69 1.90 0.04 98.07 0.63 0.26 0.99 97.12 0.98 0.01 0.02 0.01 40 R H H 122.15 3.15 13.77 17.96 92.16 49.85 -64.74 -40.63 1.67 0.03 98.31 0.43 0.19 0.99 97.34 1.03 0.00 0.01 0.00 41 T H H 71.87 3.42 13.53 17.96 92.40 48.78 -65.80 -40.72 2.05 0.02 97.93 0.37 0.20 1.35 96.95 1.10 0.01 0.01 0.00 42 R H H 146.45 2.16 14.72 16.82 92.30 50.25 -66.20 -37.98 3.27 0.01 96.72 0.26 0.22 2.63 95.03 1.85 0.01 0.00 0.00 43 A H H 63.36 2.64 14.06 17.25 93.15 49.76 -71.11 -30.53 18.43 0.02 81.55 0.34 0.57 18.31 78.12 2.61 0.02 0.01 0.01 44 C H H 59.07 5.10 11.78 18.69 97.78 46.85 -90.73 -16.51 42.27 0.04 57.69 1.06 1.23 39.70 55.00 2.94 0.02 0.01 0.03 45 I H H 92.22 4.48 11.57 17.68 92.92 78.80 -62.26 -40.61 6.27 0.04 93.69 1.25 0.75 3.85 81.03 13.08 0.01 0.02 0.01 46 L H H 116.08 1.86 13.67 15.47 92.41 52.70 -67.21 -34.08 2.67 0.01 97.32 0.18 0.15 2.04 77.18 20.43 0.00 0.01 0.00 47 R H H 154.61 1.80 13.88 15.83 95.22 47.42 -76.94 -31.00 3.57 0.01 96.42 0.17 0.18 2.91 76.48 20.24 0.01 0.01 0.00 48 V H H 77.35 4.51 12.41 18.34 97.88 41.66 -87.33 -24.76 9.72 0.04 90.25 0.37 0.69 8.62 80.85 9.40 0.05 0.02 0.02 49 A H H 51.93 4.31 12.46 18.39 93.48 70.10 -62.09 -42.87 12.80 0.06 87.14 4.94 4.70 2.73 86.84 0.74 0.00 0.01 0.04 50 P H H 75.37 2.38 14.95 17.44 92.36 50.42 -63.81 -41.05 2.50 0.00 97.50 0.73 0.22 1.23 97.31 0.51 0.00 0.00 0.00 51 P H H 73.17 2.85 15.02 18.46 92.09 50.23 -64.69 -39.25 0.87 0.00 99.13 0.16 0.05 0.52 98.78 0.49 0.00 0.00 0.00 52 F H H 109.54 3.32 14.72 18.77 92.26 50.23 -65.04 -40.73 0.19 0.00 99.81 0.02 0.01 0.11 99.66 0.19 0.00 0.00 0.00 53 V H H 82.59 2.49 15.25 17.92 91.82 50.11 -64.22 -41.74 0.11 0.00 99.88 0.01 0.00 0.07 99.87 0.04 0.00 0.00 0.00 54 A H H 60.80 2.09 15.40 17.40 91.65 50.17 -63.88 -41.51 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 55 F H H 112.03 2.47 15.13 17.98 91.81 50.13 -64.16 -41.28 0.15 0.00 99.85 0.01 0.00 0.11 99.86 0.02 0.00 0.00 0.00 56 Y H H 120.82 2.84 15.06 18.42 91.75 50.10 -64.16 -41.78 0.07 0.00 99.93 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 57 L H H 91.60 2.31 15.44 17.80 91.77 49.89 -64.28 -41.92 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 58 V H H 84.43 2.06 15.66 17.57 91.78 49.34 -64.18 -42.28 0.08 0.00 99.92 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 59 Y H H 122.96 2.69 15.52 18.55 92.06 48.52 -65.18 -41.67 0.19 0.00 99.81 0.01 0.01 0.15 99.81 0.02 0.00 0.00 0.00 60 T H H 68.16 2.94 15.74 19.10 92.25 49.22 -65.06 -41.58 0.66 0.00 99.34 0.05 0.03 0.50 99.36 0.05 0.00 0.00 0.00 61 W H H 135.32 2.15 16.40 18.23 91.96 49.49 -64.50 -41.31 0.77 0.00 99.23 0.06 0.05 0.57 99.23 0.09 0.00 0.00 0.00 62 G H H 31.81 3.16 15.14 19.32 91.82 50.76 -63.36 -41.74 0.98 0.00 99.02 0.14 0.08 0.64 99.01 0.12 0.00 0.00 0.00 63 T H H 70.65 2.92 15.96 19.28 92.00 49.20 -65.18 -40.69 0.81 0.00 99.18 0.13 0.07 0.51 99.20 0.10 0.00 0.00 0.00 64 Q H H 97.40 2.41 16.35 18.71 92.08 49.82 -64.64 -41.09 0.65 0.00 99.35 0.09 0.04 0.40 99.36 0.11 0.00 0.00 0.00 65 E H H 99.27 2.37 15.83 18.29 91.90 50.27 -64.03 -41.86 0.66 0.00 99.34 0.08 0.04 0.42 99.30 0.16 0.00 0.00 0.00 66 F H H 101.85 2.87 14.38 18.08 92.23 49.62 -64.92 -40.66 1.30 0.00 98.70 0.16 0.09 0.88 98.55 0.33 0.00 0.00 0.00 67 E H H 97.69 2.70 13.91 17.37 91.96 51.02 -64.73 -40.75 2.70 0.01 97.30 0.31 0.21 1.92 96.98 0.57 0.00 0.00 0.00 68 K H H 122.71 1.98 13.50 15.70 92.42 50.06 -66.86 -37.89 6.57 0.02 93.41 0.72 0.61 4.94 92.60 1.09 0.01 0.01 0.01 69 S H H 67.64 2.41 11.98 15.30 93.59 50.75 -70.94 -32.45 21.36 0.11 78.53 2.33 2.16 16.72 76.49 2.16 0.04 0.04 0.06 70 K H H 143.19 1.77 11.75 14.11 97.22 49.92 -79.94 -17.95 44.15 0.39 55.46 6.41 6.12 31.78 51.69 3.52 0.07 0.15 0.26 71 R C T 146.40 3.04 9.89 14.46 103.10 69.83 -81.41 -0.75 63.79 1.17 35.04 19.68 13.99 31.04 30.06 4.03 0.04 0.43 0.72 72 K C C 146.84 2.08 11.20 14.05 101.32 79.49 -80.38 -20.14 80.68 1.48 17.84 32.96 27.26 20.68 14.23 3.30 0.01 0.50 1.05 73 N C C 84.31 3.90 10.85 16.46 108.49 32.46 -116.15 91.38 98.12 0.34 1.54 86.32 10.32 1.50 1.12 0.35 0.00 0.12 0.27 74 P H G 74.46 5.40 9.40 17.08 94.42 -162.68 -62.41 -32.69 30.87 0.36 68.77 14.96 3.32 11.77 22.81 46.81 0.00 0.22 0.13 75 A H G 72.44 1.71 12.40 14.50 92.76 58.41 -65.23 -35.60 17.05 0.14 82.81 2.82 1.79 10.99 24.85 59.43 0.00 0.09 0.04 76 A H G 62.98 2.43 11.52 15.05 93.01 55.58 -67.40 -31.52 14.64 0.16 85.19 2.90 1.78 8.78 26.06 60.34 0.00 0.10 0.04 77 Y H G 111.14 5.10 8.82 15.69 97.00 50.29 -85.54 -11.82 28.42 0.59 71.00 9.02 4.91 13.79 26.36 45.34 0.02 0.30 0.27 78 E C T 123.92 2.63 9.65 13.84 95.65 77.55 -66.38 -28.06 55.88 0.74 43.38 7.84 6.44 39.23 21.60 23.86 0.07 0.35 0.61 79 N C T 123.87 1.33 9.79 11.68 97.55 49.50 -85.24 5.80 65.62 0.39 33.99 9.46 6.79 48.45 14.61 20.18 0.01 0.19 0.31 80 D C C 97.23 3.85 7.02 12.73 105.67 114.24 -81.41 91.94 82.92 0.69 16.40 69.34 2.58 12.73 6.66 7.91 0.00 0.34 0.45 81 R C C 175.91 1.77 11.13 14.14 108.92 104.10 -89.93 108.22 99.88 0.08 0.04 99.74 0.12 0.06 0.02 0.00 0.00 0.03 0.02