# 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 120.50 4.86 11.80 18.30 115.75 -157.90 -97.03 131.44 99.66 0.30 0.04 99.53 0.17 0.07 0.02 0.01 0.00 0.16 0.05 1 A C C 79.87 3.99 8.87 14.65 111.99 -138.38 -86.20 127.89 91.43 3.91 4.66 78.33 1.94 11.93 1.76 2.02 0.00 2.58 1.44 2 G C C 57.49 2.14 9.97 13.51 108.90 24.22 8.19 52.30 88.56 5.18 6.26 46.42 18.51 24.24 1.64 4.37 0.00 3.14 1.69 3 G C C 53.63 3.05 9.55 14.28 111.16 11.09 -103.29 143.78 85.22 6.33 8.45 54.36 19.09 12.04 2.59 5.78 0.01 3.80 2.33 4 R C C 159.06 3.75 8.97 14.50 111.20 -84.42 -88.78 123.26 81.51 9.34 9.15 59.13 12.93 9.13 4.00 5.14 0.01 5.57 4.09 5 R C C 169.74 2.34 9.76 13.78 112.31 -159.60 -96.45 120.86 83.99 6.43 9.59 55.96 14.44 13.74 4.15 5.22 0.01 3.67 2.80 6 G C C 49.60 4.34 9.70 15.77 114.17 -97.24 65.81 165.10 86.85 2.81 10.34 47.23 19.12 21.05 3.59 6.25 0.00 1.46 1.29 7 G C C 50.23 3.55 10.42 15.67 118.14 -21.42 90.59 172.00 83.21 2.42 14.36 43.81 22.06 17.87 5.77 8.06 0.01 1.17 1.26 8 R C C 170.19 2.44 10.45 14.47 112.14 -77.27 -88.50 130.23 77.12 4.01 18.87 48.54 17.34 11.25 9.87 8.98 0.02 2.06 1.94 9 R C C 157.16 3.58 9.84 15.38 113.31 -135.72 -89.08 130.56 75.09 5.06 19.85 54.82 12.21 7.70 11.88 8.27 0.01 2.81 2.29 10 R C C 152.45 4.22 9.74 15.93 112.40 -137.00 -89.64 129.35 73.83 4.59 21.58 55.91 9.85 7.69 12.41 9.45 0.01 2.72 1.95 11 K C C 125.61 5.56 11.10 18.28 113.68 -132.07 -87.54 133.07 75.43 4.47 20.10 48.61 15.58 11.26 11.17 8.97 0.01 2.74 1.66 12 K C C 133.51 4.68 13.98 20.26 110.43 -140.56 -90.33 112.04 74.50 9.50 16.00 48.45 16.51 9.74 8.81 7.20 0.02 6.55 2.72 13 V C C 66.58 10.35 14.17 25.41 119.47 -145.63 -103.29 136.39 69.83 21.33 8.84 55.97 9.40 2.86 6.88 2.56 0.02 11.84 10.47 14 C C C 31.57 13.87 14.26 28.94 114.05 -136.14 -90.58 129.73 74.21 17.81 7.98 65.17 5.66 2.36 6.52 1.92 0.01 11.80 6.56 15 Y C H 95.47 9.12 19.19 29.08 96.34 -156.74 -73.35 -26.32 54.87 11.25 33.87 16.83 18.73 20.78 23.76 8.49 0.99 7.09 3.33 16 F C H 43.76 16.05 13.94 29.98 96.61 57.82 -78.10 -27.68 46.90 17.74 35.36 13.58 14.12 20.35 22.66 9.72 3.27 9.76 6.53 17 T C C 54.89 10.34 14.09 25.07 100.65 56.65 -78.51 -40.01 46.69 15.72 37.59 22.73 10.99 14.62 22.03 13.73 1.26 9.23 5.41 18 S C T 80.33 3.42 14.94 19.34 93.72 52.84 -70.03 -24.84 58.55 5.01 36.44 8.61 11.52 36.74 19.18 17.40 0.99 2.92 2.66 19 N C T 96.53 4.90 14.47 20.65 96.12 46.07 -93.00 4.77 74.01 1.08 24.91 4.89 11.53 57.07 10.58 14.38 0.09 0.61 0.85 20 G C T 45.77 4.27 16.06 21.49 99.26 -105.96 82.69 11.29 86.02 5.26 8.72 21.55 17.79 47.54 2.55 5.66 0.03 3.21 1.68 21 I C C 39.55 16.53 10.04 26.38 112.19 142.81 -89.97 121.62 74.41 19.27 6.32 62.46 6.59 4.31 2.13 4.49 0.01 13.47 6.54 22 T C C 88.84 4.82 18.73 24.63 102.09 175.92 -102.45 -13.48 76.88 16.57 6.55 39.75 27.26 11.18 1.30 5.34 0.02 12.78 2.36 23 H C C 108.21 5.83 20.77 27.47 125.07 38.13 -126.51 134.60 70.18 23.79 6.03 42.07 19.68 10.18 1.29 4.99 0.05 17.35 4.39 24 I C C 19.82 22.46 12.21 34.16 120.00 -163.92 -110.34 129.47 79.67 19.47 0.86 74.15 4.45 0.61 0.41 0.51 0.00 13.76 6.10 25 D C C 61.95 6.76 22.55 29.68 111.21 -156.05 -102.07 115.37 93.25 6.36 0.40 92.32 1.33 0.29 0.14 0.17 0.00 3.90 1.84 26 Y C T 62.67 18.84 12.88 31.34 93.24 -157.17 -67.60 -18.35 80.07 0.34 19.59 2.44 5.01 71.69 1.33 19.17 0.00 0.20 0.16 27 K C T 140.21 3.25 18.43 22.51 91.90 65.08 -78.40 -13.50 80.65 0.30 19.06 1.93 5.79 71.97 1.29 18.69 0.00 0.17 0.16 28 D C C 59.32 8.48 15.05 25.02 105.46 77.06 -102.87 86.78 84.98 1.85 13.17 67.86 11.25 4.74 2.48 11.62 0.00 0.75 1.31 29 V H H 56.10 14.58 12.53 27.34 93.75 171.54 -64.84 -34.26 5.66 0.05 94.29 1.72 1.01 3.05 88.76 5.41 0.01 0.02 0.02 30 E H H 129.30 1.77 19.67 20.75 91.43 58.66 -63.66 -39.15 2.07 0.01 97.92 0.17 0.17 1.69 91.09 6.88 0.00 0.01 0.00 31 L H H 36.88 11.13 17.11 29.67 92.23 50.03 -65.72 -41.10 1.07 0.01 98.92 0.09 0.08 0.85 92.66 6.31 0.00 0.00 0.00 32 L H H 6.62 24.42 13.12 37.50 91.45 52.43 -64.18 -40.80 1.10 0.01 98.90 0.11 0.09 0.82 93.28 5.71 0.00 0.00 0.00 33 K H H 111.41 8.53 19.94 29.14 91.05 55.56 -64.41 -32.32 7.10 0.03 92.86 0.33 0.33 6.11 74.17 19.01 0.02 0.02 0.01 34 K H H 121.87 3.92 23.10 27.10 92.10 55.93 -71.76 -25.35 26.68 0.06 73.26 0.52 0.98 25.53 55.36 17.49 0.05 0.03 0.05 35 F H H 19.75 20.15 16.08 36.60 96.94 47.20 -96.35 -7.07 44.22 0.38 55.40 2.00 3.32 37.23 41.56 15.29 0.11 0.22 0.26 36 V E B 23.38 18.85 13.86 32.85 122.92 87.90 -101.18 141.20 5.59 94.18 0.23 3.10 0.75 0.03 0.23 0.01 0.00 9.53 86.33 37 S C C 31.80 8.88 14.86 25.53 123.40 -132.79 -80.53 173.60 95.39 4.41 0.19 95.74 0.40 0.15 0.06 0.06 0.00 2.72 0.86 38 E C T 160.47 1.78 14.43 17.08 90.68 -89.74 -63.88 -21.30 98.17 0.80 1.03 0.55 3.73 94.23 0.12 0.70 0.00 0.49 0.17 39 R C T 164.12 1.63 16.74 17.82 93.12 55.33 -87.98 1.85 98.84 0.20 0.96 0.26 3.47 95.27 0.06 0.78 0.00 0.10 0.05 40 G C S 18.91 15.62 12.62 28.17 95.53 -106.78 82.06 9.90 99.21 0.44 0.35 10.87 87.08 1.43 0.03 0.24 0.00 0.19 0.16 41 K C C 100.85 5.01 21.66 27.53 120.91 136.23 -89.64 146.05 94.19 5.70 0.10 76.06 18.16 0.31 0.05 0.06 0.00 2.98 2.39 42 I E B 32.34 20.50 14.75 34.94 113.59 -112.47 -78.69 133.20 9.97 89.93 0.11 7.04 0.70 0.03 0.11 0.01 0.00 10.67 81.44 43 L C C 36.52 14.49 16.73 32.06 114.59 -117.91 -74.76 138.51 94.95 4.96 0.10 93.63 1.73 0.10 0.05 0.03 0.00 3.86 0.59 44 P C C 54.17 8.50 18.90 28.40 113.32 -104.90 -66.33 146.88 93.07 2.83 4.10 88.27 3.49 1.73 2.18 1.54 0.00 1.60 1.19 45 R C T 125.81 11.00 13.74 25.28 93.00 -119.13 -62.64 -26.86 60.36 1.91 37.72 18.14 16.48 26.65 14.39 22.18 0.06 0.95 1.16 46 R C T 164.02 2.39 17.52 20.37 93.26 64.79 -72.70 -17.71 55.33 5.07 39.61 19.66 13.35 23.75 16.50 21.55 0.24 2.73 2.21 47 V C C 58.06 11.95 13.68 26.08 98.78 58.63 -88.98 -5.81 56.27 8.76 34.97 31.42 13.34 12.45 17.75 16.57 0.20 4.88 3.39 48 T C C 46.28 15.32 12.78 27.51 104.65 76.98 -88.57 11.46 76.63 6.92 16.44 46.95 15.40 14.00 12.57 4.26 0.04 3.75 3.03 49 G C S 51.46 4.32 18.61 23.49 99.01 -102.28 80.97 5.59 87.65 4.51 7.83 32.54 36.88 19.06 4.61 2.78 0.03 2.41 1.68 50 T C C 39.47 15.05 10.91 25.89 121.52 114.04 -93.80 151.07 87.40 5.86 6.74 41.31 39.47 6.70 5.10 1.70 0.02 2.31 3.38 51 S C C 51.24 4.52 17.42 22.52 118.32 -105.26 -74.89 159.66 91.12 3.76 5.13 81.61 7.02 2.02 4.64 0.90 0.00 1.55 2.25 52 A H H 68.91 5.67 14.00 21.31 92.17 -109.84 -59.04 -37.80 2.70 0.01 97.28 0.78 0.53 1.20 97.05 0.43 0.00 0.00 0.01 53 K H H 135.46 1.68 18.56 19.51 91.79 52.95 -64.49 -40.68 1.13 0.00 98.86 0.19 0.11 0.72 98.55 0.42 0.00 0.00 0.00 54 Y H H 65.21 11.54 16.51 28.87 92.40 47.86 -66.59 -40.54 0.52 0.00 99.47 0.11 0.05 0.31 99.13 0.40 0.00 0.00 0.00 55 Q H H 40.12 16.28 15.54 31.67 91.81 52.32 -62.90 -42.07 0.21 0.00 99.79 0.04 0.01 0.11 99.74 0.09 0.00 0.00 0.00 56 R H H 132.86 3.18 22.30 25.26 91.61 50.15 -64.10 -40.87 0.22 0.00 99.77 0.03 0.01 0.14 99.77 0.05 0.00 0.00 0.00 57 K H H 97.74 5.96 22.31 28.44 91.77 49.41 -64.87 -41.05 0.16 0.00 99.84 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 58 L H H 15.29 20.66 17.80 38.46 92.41 49.79 -65.39 -41.76 0.12 0.00 99.88 0.01 0.01 0.08 99.88 0.02 0.00 0.00 0.00 59 T H H 41.71 12.41 21.59 34.07 91.78 50.91 -63.57 -42.42 0.13 0.00 99.87 0.01 0.01 0.09 99.88 0.02 0.00 0.00 0.00 60 V H H 71.86 3.21 24.69 27.15 91.42 49.27 -63.96 -42.67 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 61 A H H 20.02 12.27 20.67 34.07 91.72 50.30 -64.07 -42.48 0.13 0.00 99.87 0.01 0.01 0.09 99.87 0.03 0.00 0.00 0.00 62 I H H 19.49 19.53 18.89 38.23 92.13 49.82 -64.24 -43.00 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 63 K H H 98.64 6.39 23.24 30.04 91.59 50.56 -63.41 -41.79 0.25 0.00 99.75 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 64 R H H 112.82 4.35 22.95 27.14 91.87 49.58 -64.70 -41.44 0.33 0.00 99.67 0.03 0.02 0.22 99.64 0.09 0.00 0.00 0.00 65 S H H 14.98 14.56 16.34 32.20 91.86 51.40 -64.40 -41.63 0.46 0.00 99.54 0.06 0.03 0.30 99.39 0.22 0.00 0.00 0.00 66 R H H 89.59 11.02 17.38 28.80 92.23 51.04 -64.54 -40.20 0.82 0.00 99.18 0.08 0.04 0.60 98.88 0.39 0.00 0.00 0.00 67 Q H H 108.77 3.23 17.71 21.42 92.38 50.30 -66.56 -36.65 1.69 0.00 98.31 0.11 0.08 1.37 97.97 0.46 0.00 0.00 0.00 68 M H H 97.97 5.18 15.07 21.27 93.99 50.26 -75.68 -25.48 8.67 0.02 91.31 0.36 0.40 8.06 90.29 0.87 0.01 0.01 0.01 69 A C T 65.55 6.13 14.59 21.60 97.04 17.41 -70.15 -16.45 54.45 0.06 45.49 0.90 1.61 51.42 44.54 1.45 0.01 0.02 0.05 70 L C T 92.90 5.77 14.19 21.08 99.02 61.77 -84.17 -8.90 70.03 0.24 29.73 4.35 6.48 57.06 29.55 2.26 0.02 0.09 0.19 71 L C C 71.08 9.58 10.74 21.34 109.82 79.76 -85.38 112.88 70.90 1.23 27.87 35.61 26.50 9.31 17.16 10.10 0.01 0.50 0.79 72 P C C 87.53 3.77 13.29 18.37 99.92 -133.50 -69.77 -16.13 65.26 1.17 33.57 36.26 10.45 18.22 18.19 15.69 0.01 0.62 0.56 73 F C C 132.25 4.31 11.78 17.61 103.51 59.50 -87.78 16.73 56.95 5.40 37.65 31.92 10.05 15.46 22.11 15.27 0.08 3.19 1.93 74 V C C 77.87 7.50 9.45 18.33 111.38 82.47 -94.49 114.09 60.01 7.73 32.26 43.35 8.58 7.76 23.94 8.96 0.04 4.79 2.58 75 A C C 73.64 3.96 9.62 15.27 110.63 -138.06 -89.50 119.99 65.63 4.49 29.88 42.81 11.23 11.16 22.03 8.54 0.03 2.75 1.45 76 E C C 140.28 2.32 9.25 13.16 110.10 -135.01 -87.83 119.50 69.84 3.42 26.74 40.64 13.97 15.53 17.24 9.43 0.04 1.99 1.15 77 E C C 134.51 3.25 8.14 13.34 110.37 -129.70 -86.61 115.32 81.70 2.04 16.26 71.39 1.82 10.10 10.39 4.21 0.00 1.34 0.75 78 K C C 144.68 3.17 10.92 15.96 113.43 -158.74 -97.48 126.93 99.66 0.21 0.13 99.41 0.17 0.17 0.08 0.01 0.00 0.13 0.03