# 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 119.41 5.00 11.00 17.64 115.42 -159.90 -93.41 134.54 99.82 0.16 0.02 99.68 0.16 0.05 0.01 0.00 0.00 0.07 0.03 1 A C C 82.76 2.97 8.74 13.59 112.81 -122.27 -82.79 138.97 97.30 2.03 0.67 95.37 0.92 1.29 0.29 0.17 0.00 0.87 1.08 2 G C C 48.69 3.03 8.64 13.45 122.60 -133.61 -105.57 170.78 97.47 1.40 1.13 74.10 20.81 2.56 0.55 0.55 0.00 0.66 0.77 3 P C C 108.36 2.23 9.26 13.01 110.43 -63.62 -73.02 144.35 92.47 1.59 5.94 68.76 14.63 9.12 2.24 3.58 0.00 0.85 0.81 4 Q C C 134.24 2.47 8.49 12.89 112.13 -118.19 -86.61 130.77 88.73 3.05 8.22 70.66 10.62 7.36 3.69 4.40 0.00 1.63 1.63 5 R C C 156.99 3.63 7.98 13.62 113.75 -144.04 -92.13 130.70 86.55 3.83 9.62 71.88 9.24 5.27 5.27 4.23 0.00 1.98 2.12 6 K C C 146.59 2.52 9.05 13.37 113.05 -148.49 -94.02 129.44 87.15 2.46 10.39 67.70 13.79 5.61 6.54 3.74 0.00 1.23 1.38 7 S C C 79.38 3.17 9.08 14.08 112.92 -121.58 -86.85 133.93 86.50 1.76 11.74 68.01 12.26 6.30 7.14 4.43 0.00 0.90 0.96 8 V C C 105.21 3.96 8.38 14.15 108.63 -150.98 -90.28 105.49 81.36 2.25 16.39 60.90 11.63 8.68 10.06 6.31 0.00 1.13 1.30 9 N C C 111.96 3.11 9.59 14.38 110.50 76.61 -90.97 116.55 83.20 2.04 14.76 60.26 13.00 9.76 8.05 6.72 0.00 1.03 1.18 10 K C C 145.27 3.17 9.67 14.65 110.05 -152.94 -86.34 109.56 82.31 2.20 15.49 59.54 13.70 8.87 7.52 8.01 0.00 1.11 1.24 11 K C C 128.72 4.82 9.80 16.44 112.68 -120.21 -85.62 134.24 84.21 2.75 13.04 57.57 16.36 10.26 5.42 7.54 0.00 1.46 1.39 12 K C C 143.13 3.42 12.55 17.49 109.80 -131.17 -87.00 119.55 86.29 4.85 8.85 62.54 15.95 7.73 3.55 5.25 0.00 2.84 2.14 13 V C C 79.10 7.95 12.26 21.53 120.20 -150.44 -102.53 135.90 85.58 10.18 4.24 68.64 13.33 2.49 2.58 1.76 0.00 4.16 7.04 14 V C C 45.15 11.20 12.93 25.61 112.91 -133.64 -89.92 126.95 96.88 2.01 1.10 85.73 10.59 0.66 0.85 0.26 0.00 0.99 0.91 15 P H H 55.23 7.56 17.21 26.37 98.14 -130.41 -64.52 -18.38 44.09 2.17 53.74 18.41 7.79 18.80 33.90 18.74 0.15 1.15 1.06 16 I H H 37.35 18.61 11.96 29.67 93.06 61.05 -68.24 -27.44 32.15 0.88 66.98 5.08 4.41 20.36 35.49 33.57 0.17 0.50 0.42 17 K H H 121.69 6.36 15.47 22.88 93.48 60.50 -73.10 -20.78 29.83 0.93 69.24 4.87 4.26 18.51 36.50 34.76 0.18 0.54 0.39 18 T H H 95.57 2.64 16.15 19.14 97.70 49.91 -90.21 -12.04 37.33 1.58 61.09 8.04 7.33 21.13 33.85 27.70 0.31 0.82 0.82 19 V C S 50.69 13.73 10.27 24.05 116.19 85.16 -94.72 133.52 72.48 3.53 23.99 26.96 31.66 14.63 16.37 6.86 0.10 1.47 1.95 20 H C C 144.06 2.50 17.64 20.76 106.09 -126.41 -78.34 104.85 79.07 4.41 16.52 55.68 7.85 15.12 9.07 7.69 0.01 2.82 1.76 21 I C C 54.67 16.72 10.12 25.85 104.99 168.48 -94.79 8.56 63.24 7.20 29.56 41.22 8.59 13.19 7.53 22.46 0.03 4.51 2.48 22 G C C 48.11 3.99 18.36 23.10 103.95 -111.72 35.67 -63.62 66.97 6.26 26.77 25.79 19.64 23.07 3.75 22.18 0.04 3.95 1.57 23 A C C 72.59 4.48 18.68 23.97 113.87 14.62 -96.90 126.79 64.12 11.61 24.27 37.70 13.72 13.92 3.49 20.71 0.05 7.98 2.42 24 V C C 24.40 21.35 10.37 30.59 118.16 -149.81 -98.57 131.40 86.49 11.64 1.87 76.22 8.95 1.02 1.05 0.92 0.00 6.77 5.07 25 D C C 69.73 5.57 21.58 27.50 110.23 -150.29 -100.38 112.75 94.67 4.57 0.76 93.68 1.26 0.41 0.33 0.25 0.00 2.38 1.69 26 Y C T 72.00 17.92 11.87 29.41 93.68 -162.88 -69.68 -17.45 79.42 0.46 20.12 4.49 6.17 68.08 2.44 18.30 0.00 0.28 0.24 27 K C T 148.10 2.45 17.52 20.57 92.18 65.48 -77.11 -14.94 80.28 0.35 19.37 2.67 7.82 69.28 2.51 17.29 0.00 0.20 0.23 28 D C C 66.13 7.11 14.71 23.34 106.40 66.33 -106.81 83.38 83.65 1.72 14.62 65.03 11.49 6.40 3.34 11.82 0.00 0.75 1.17 29 T H H 54.01 14.28 12.14 26.55 93.98 172.32 -65.37 -33.78 6.64 0.06 93.30 2.48 1.33 3.18 87.79 5.15 0.01 0.03 0.02 30 A H H 68.34 2.19 19.27 20.85 91.46 59.03 -63.27 -39.71 2.21 0.01 97.78 0.18 0.19 1.79 91.02 6.81 0.00 0.01 0.00 31 L H H 45.62 9.71 17.47 28.61 92.49 49.78 -66.11 -40.38 1.20 0.01 98.79 0.11 0.10 0.95 92.41 6.42 0.00 0.01 0.00 32 L H H 6.99 24.21 12.86 36.98 91.71 52.68 -64.20 -40.73 1.12 0.01 98.87 0.12 0.10 0.82 93.02 5.94 0.00 0.00 0.00 33 R H H 126.54 8.67 19.78 29.15 90.91 55.77 -64.43 -32.90 5.79 0.04 94.17 0.30 0.30 4.90 75.27 19.18 0.02 0.02 0.01 34 K H H 126.97 3.37 23.09 26.41 91.68 57.06 -71.14 -25.44 24.12 0.06 75.82 0.48 0.88 22.92 56.71 18.87 0.05 0.03 0.05 35 F H H 22.43 19.65 16.01 35.99 96.51 49.65 -95.00 -6.73 41.10 0.30 58.61 1.67 2.69 35.31 43.20 16.65 0.10 0.17 0.21 36 I E B 28.22 18.97 13.23 32.25 121.86 89.86 -95.37 141.13 6.60 93.11 0.29 3.59 0.94 0.04 0.28 0.02 0.00 9.82 85.29 37 S C C 33.12 8.41 14.65 24.91 123.99 -132.48 -80.18 172.61 95.92 3.94 0.15 96.24 0.38 0.14 0.05 0.04 0.00 2.39 0.76 38 E C T 162.73 1.50 14.48 16.47 90.65 -89.15 -64.73 -20.53 97.98 0.97 1.05 0.62 4.22 93.48 0.12 0.77 0.00 0.59 0.20 39 R C T 161.77 1.79 16.67 18.11 93.43 54.97 -88.74 2.07 98.64 0.21 1.15 0.30 4.18 94.33 0.07 0.95 0.00 0.11 0.06 40 G C S 17.42 15.68 12.91 28.65 96.07 -105.52 82.67 9.77 98.82 0.53 0.66 10.90 86.16 2.01 0.07 0.42 0.00 0.23 0.20 41 K C C 95.58 6.02 21.59 28.42 121.35 134.52 -91.11 146.71 91.79 7.73 0.47 74.30 16.78 0.51 0.35 0.17 0.00 3.53 4.36 42 I E B 21.82 21.72 13.98 35.58 112.66 -111.52 -79.11 131.02 12.21 86.95 0.83 8.81 0.98 0.17 0.71 0.12 0.01 11.91 77.29 43 R C C 90.72 9.83 19.84 30.11 113.78 -126.81 -80.01 142.46 88.42 7.65 3.93 83.17 3.98 1.42 2.82 1.02 0.00 5.96 1.64 44 A C C 39.49 12.09 16.19 28.73 104.76 -113.76 -73.36 135.15 77.40 4.11 18.50 65.75 6.80 4.74 14.13 4.47 0.00 2.38 1.73 45 R C C 118.14 10.49 14.36 25.19 95.67 -129.60 -67.14 -25.87 53.29 3.29 43.42 29.66 10.60 14.45 28.19 13.72 0.09 1.70 1.58 46 R C H 156.97 3.23 15.95 20.20 94.26 62.01 -71.16 -25.06 48.69 4.41 46.90 21.71 11.69 17.01 30.43 14.63 0.32 2.46 1.75 47 V C H 79.44 8.06 13.63 22.55 100.03 50.79 -90.49 -12.68 50.65 6.19 43.16 22.15 14.12 16.26 29.74 11.37 0.48 3.24 2.64 48 T C T 54.68 12.21 12.12 24.46 102.45 64.34 -89.93 -1.76 67.85 4.82 27.33 25.77 16.72 26.03 21.27 5.41 0.23 2.37 2.18 49 G C C 56.11 2.46 18.82 21.36 96.67 -114.81 79.49 10.31 94.50 2.61 2.89 38.80 23.44 32.92 1.14 1.40 0.00 1.59 0.71 50 L C C 31.51 18.00 8.31 25.44 119.26 136.09 -82.22 145.00 94.01 5.29 0.70 76.93 16.01 0.68 0.53 0.21 0.00 2.08 3.56 51 S C C 55.35 2.90 18.51 21.16 119.26 -112.14 -72.24 160.68 96.99 2.61 0.40 95.79 1.35 0.19 0.29 0.06 0.00 0.92 1.39 52 V H H 99.51 4.99 13.70 20.49 91.39 -105.79 -58.11 -38.20 1.40 0.01 98.60 0.33 0.21 0.69 98.56 0.22 0.00 0.00 0.00 53 Q H H 118.12 1.74 18.41 19.41 91.58 52.06 -64.22 -40.73 0.59 0.00 99.40 0.08 0.05 0.38 99.26 0.23 0.00 0.00 0.00 54 D H H 40.85 11.70 16.75 29.31 92.21 48.18 -66.40 -40.19 0.25 0.00 99.75 0.04 0.02 0.14 99.60 0.19 0.00 0.00 0.00 55 Q H H 36.16 17.18 15.68 32.63 91.45 52.17 -62.86 -42.22 0.09 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 56 R H H 132.51 3.48 22.99 26.44 91.47 50.52 -64.06 -41.00 0.10 0.00 99.90 0.01 0.00 0.07 99.91 0.02 0.00 0.00 0.00 57 K H H 95.00 6.33 23.47 29.94 91.67 49.47 -65.03 -41.34 0.07 0.00 99.93 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 58 V H H 9.97 21.75 18.94 40.63 92.04 49.52 -64.73 -42.62 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 59 A H H 24.74 13.56 22.10 35.89 91.53 51.45 -62.66 -42.37 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 60 I H H 85.72 3.43 26.28 29.22 91.51 49.27 -64.19 -42.24 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 61 A H H 18.00 13.44 21.77 36.00 91.76 50.55 -64.05 -42.69 0.09 0.00 99.91 0.00 0.00 0.06 99.91 0.01 0.00 0.00 0.00 62 I H H 15.09 20.98 19.82 40.42 91.85 49.49 -63.93 -43.11 0.14 0.00 99.86 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 63 K H H 95.58 7.24 24.34 31.92 91.54 50.46 -63.05 -42.00 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.03 0.00 0.00 0.00 64 N H H 70.08 4.82 23.64 28.47 91.61 49.07 -64.86 -41.46 0.38 0.00 99.62 0.03 0.02 0.26 99.62 0.07 0.00 0.00 0.00 65 A H H 11.20 15.55 16.74 33.57 91.62 51.41 -63.96 -41.89 0.44 0.00 99.56 0.05 0.02 0.30 99.42 0.20 0.00 0.00 0.00 66 R H H 84.97 11.84 17.50 29.61 92.00 50.65 -64.00 -41.09 0.75 0.00 99.25 0.08 0.04 0.55 99.00 0.34 0.00 0.00 0.00 67 E H H 117.88 3.01 18.25 21.64 91.94 50.58 -65.66 -36.84 1.80 0.00 98.20 0.10 0.08 1.51 97.89 0.41 0.00 0.00 0.00 68 L H H 88.56 5.58 15.09 21.77 93.46 52.27 -76.62 -17.86 10.12 0.02 89.87 0.34 0.42 9.53 88.92 0.75 0.02 0.00 0.01 69 A C T 68.28 6.46 14.97 22.45 96.80 -92.69 58.54 1.39 63.07 0.08 36.85 1.00 2.11 58.48 37.15 1.14 0.01 0.03 0.07 70 L C T 95.10 5.90 15.05 22.14 97.44 89.46 -82.41 -16.06 79.74 0.36 19.90 5.64 8.91 62.81 20.43 1.78 0.01 0.13 0.28 71 L C C 61.21 11.42 10.52 22.69 116.47 60.93 -103.11 123.39 87.28 1.64 11.08 41.63 38.92 6.98 6.64 3.96 0.01 0.59 1.27 72 P C C 86.86 4.07 14.33 19.69 103.39 -137.23 -68.73 22.94 82.57 1.22 16.21 51.35 13.09 18.00 6.54 9.72 0.00 0.62 0.68 73 Y C C 141.07 5.91 11.63 18.93 108.50 66.52 -90.22 98.92 74.23 5.16 20.61 46.33 12.06 16.03 9.15 11.12 0.02 2.52 2.78 74 A C C 68.67 5.64 10.55 17.79 109.57 101.59 -89.46 110.90 74.90 3.86 21.24 48.76 12.84 13.39 10.07 11.00 0.01 2.06 1.87 75 S C C 75.87 4.21 9.66 15.67 109.10 109.69 -91.63 102.72 77.59 2.62 19.78 41.81 18.05 18.36 8.55 10.60 0.02 1.25 1.35 76 T C C 100.44 2.84 8.98 13.60 107.96 96.97 -92.67 74.25 81.68 2.12 16.20 47.30 18.56 16.29 6.93 8.77 0.01 0.99 1.16 77 A C C 81.06 3.08 7.92 12.93 111.47 113.30 -87.11 125.16 92.81 1.05 6.14 83.01 2.36 8.49 2.76 2.30 0.00 0.58 0.51 78 R C C 170.75 2.56 10.28 14.67 110.26 -145.51 -90.23 116.32 99.76 0.14 0.10 99.46 0.20 0.17 0.05 0.01 0.00 0.07 0.03