# 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 111.42 5.53 10.61 17.86 117.99 -147.68 -92.09 140.46 99.91 0.08 0.01 99.71 0.20 0.03 0.00 0.00 0.00 0.04 0.01 1 P C C 94.02 3.61 9.95 15.35 113.39 -104.34 -67.99 149.09 93.70 1.28 5.02 85.58 1.30 7.62 1.15 3.07 0.00 0.81 0.46 2 Q C C 145.42 1.42 8.88 11.57 112.87 -120.94 -85.68 134.35 86.64 7.27 6.09 61.15 12.73 12.45 1.43 4.79 0.00 3.74 3.70 3 L C C 107.27 5.21 6.98 14.01 114.17 -120.69 -87.29 134.53 82.90 11.38 5.72 64.51 13.60 4.11 2.25 3.40 0.00 4.98 7.14 4 D C C 88.31 2.73 10.85 14.92 114.17 -134.34 -86.72 139.49 93.70 3.17 3.13 87.55 5.01 1.40 2.32 0.70 0.00 1.61 1.41 5 T H H 97.66 2.79 10.05 14.60 93.16 -133.96 -63.39 -31.24 32.41 0.40 67.19 8.29 6.37 19.07 62.92 2.89 0.06 0.17 0.23 6 S H H 75.06 1.44 12.49 13.92 93.01 58.06 -65.56 -38.83 27.15 0.19 72.66 3.61 3.87 20.28 69.42 2.53 0.09 0.07 0.12 7 T H H 63.14 3.71 11.68 16.99 92.84 50.53 -66.55 -39.83 11.82 0.14 88.04 2.97 1.73 7.56 85.62 1.95 0.05 0.06 0.07 8 W H H 120.55 4.69 11.76 18.14 92.21 52.79 -63.48 -42.25 0.94 0.00 99.06 0.33 0.10 0.41 98.96 0.19 0.00 0.00 0.00 9 L H H 101.03 1.77 14.42 16.09 91.98 50.09 -64.59 -41.21 0.18 0.00 99.82 0.04 0.01 0.09 99.80 0.05 0.00 0.00 0.00 10 T H H 76.97 1.92 14.94 16.72 92.03 49.74 -64.98 -41.50 0.08 0.00 99.92 0.02 0.00 0.04 99.92 0.02 0.00 0.00 0.00 11 M H H 82.44 4.57 13.54 19.50 92.19 50.02 -64.89 -41.80 0.05 0.00 99.95 0.01 0.00 0.03 99.96 0.01 0.00 0.00 0.00 12 I H H 87.92 3.49 15.05 19.37 91.79 49.68 -64.27 -42.09 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 13 L H H 96.71 1.68 16.17 17.13 91.89 49.74 -64.55 -41.43 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 14 S H H 55.81 2.76 15.10 18.40 91.98 50.34 -64.76 -41.01 0.08 0.00 99.92 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 15 M H H 86.99 4.26 14.35 19.74 91.96 51.06 -64.71 -41.57 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 16 F H H 115.90 2.45 15.62 18.22 91.98 50.31 -64.54 -41.74 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 17 L H H 95.70 1.74 15.80 16.97 91.82 50.05 -64.72 -41.63 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.02 0.00 0.00 0.00 18 V H H 75.92 2.82 14.68 18.09 91.59 50.15 -64.55 -42.05 0.10 0.00 99.90 0.00 0.00 0.07 99.89 0.03 0.00 0.00 0.00 19 L H H 86.27 3.15 14.68 18.56 91.72 49.92 -64.57 -41.75 0.16 0.00 99.84 0.01 0.00 0.13 99.76 0.10 0.00 0.00 0.00 20 F H H 115.90 2.28 14.86 17.40 92.00 49.68 -64.87 -41.50 0.54 0.00 99.46 0.01 0.01 0.50 99.25 0.22 0.00 0.00 0.00 21 I H H 96.80 2.01 14.99 16.83 92.07 49.37 -64.84 -41.89 1.72 0.00 98.27 0.04 0.06 1.67 97.91 0.31 0.00 0.00 0.00 22 I H H 94.69 2.32 15.00 17.42 92.11 48.63 -65.11 -41.81 3.25 0.01 96.74 0.15 0.20 2.89 96.00 0.75 0.01 0.00 0.01 23 F H H 104.77 3.18 14.27 18.35 92.15 48.87 -65.30 -40.93 3.33 0.02 96.65 0.46 0.32 2.40 95.07 1.71 0.01 0.01 0.01 24 Q H H 92.64 3.07 14.15 18.22 91.69 51.28 -64.09 -40.80 3.11 0.04 96.85 0.60 0.31 2.11 94.74 2.20 0.01 0.02 0.01 25 L H H 91.88 2.05 14.96 16.96 92.00 50.30 -65.07 -40.39 3.78 0.05 96.17 0.66 0.40 2.65 93.76 2.47 0.01 0.03 0.01 26 K H H 106.80 2.73 14.19 17.57 92.51 50.36 -65.37 -39.55 5.92 0.09 93.99 1.04 0.71 4.24 91.38 2.51 0.03 0.05 0.03 27 I H H 83.58 4.06 12.22 17.74 92.64 49.91 -67.39 -37.87 10.28 0.21 89.50 2.08 1.51 7.11 85.77 3.23 0.08 0.11 0.10 28 S H H 68.22 2.65 12.40 16.14 92.59 53.68 -69.06 -29.69 21.78 0.34 77.88 4.79 2.93 14.68 72.36 4.79 0.09 0.17 0.19 29 K H H 145.66 1.41 12.67 14.08 95.63 52.41 -78.37 -21.36 38.83 0.41 60.76 5.58 5.39 28.27 54.72 5.45 0.13 0.19 0.27 30 H C H 112.62 4.00 9.88 15.43 105.29 58.46 -94.30 28.64 55.95 1.43 42.62 14.58 14.90 28.61 34.74 5.54 0.19 0.55 0.89 31 N C C 108.53 2.72 10.12 14.25 102.36 72.78 -79.91 13.97 71.76 3.53 24.72 35.95 16.11 20.68 17.09 6.60 0.06 1.54 1.98 32 F C C 137.47 3.00 9.38 13.90 100.49 74.76 -80.53 -8.49 76.01 3.33 20.66 42.70 15.44 18.18 10.74 9.42 0.02 1.60 1.90 33 Y C C 156.33 2.73 9.22 13.47 99.83 72.28 -81.59 -7.52 80.17 2.44 17.39 37.98 19.13 23.89 7.32 9.16 0.02 1.16 1.35 34 H C C 142.07 2.12 9.75 13.11 104.04 64.34 -90.35 8.54 83.61 2.34 14.06 35.25 28.25 21.14 5.51 7.36 0.01 1.00 1.48 35 N C C 111.99 2.64 9.29 13.54 109.47 51.65 -97.48 104.33 95.44 1.46 3.11 65.34 27.01 3.11 1.59 1.42 0.00 0.58 0.96 36 P C C 89.42 4.52 7.80 14.19 109.45 -147.17 -73.36 138.63 84.63 1.53 13.83 62.02 10.33 12.05 5.45 8.50 0.00 0.82 0.83 37 E C C 149.08 1.38 9.52 11.94 111.78 -115.94 -84.36 132.82 80.96 3.37 15.67 56.19 12.83 11.66 6.59 9.23 0.00 1.82 1.69 38 L C C 123.54 2.73 7.80 12.50 110.82 -123.38 -86.83 128.26 78.96 5.16 15.88 63.62 8.66 6.34 7.49 8.48 0.00 2.95 2.44 39 M C C 129.56 2.84 7.99 12.77 114.69 -160.72 -97.18 132.54 81.11 3.93 14.95 64.48 9.98 6.28 8.47 6.62 0.00 2.18 2.00 40 T C C 106.37 1.87 8.36 11.79 112.28 -145.67 -91.56 130.16 80.82 3.50 15.68 61.44 10.03 8.97 8.08 7.73 0.00 1.96 1.77 41 T C C 101.86 2.84 7.38 12.03 111.82 -159.60 -93.81 117.62 83.11 1.99 14.90 51.87 16.82 14.32 6.98 7.89 0.00 0.99 1.12 42 K C C 157.36 1.47 8.87 11.52 108.62 -152.28 -92.37 102.18 85.30 1.72 12.98 46.39 26.91 12.29 6.31 6.24 0.00 0.72 1.15 43 T C C 89.07 3.24 7.87 12.98 115.66 -130.23 -91.12 135.24 87.58 1.32 11.10 54.45 27.24 6.08 5.80 5.00 0.00 0.55 0.87 44 P C C 98.78 2.88 8.46 13.10 106.80 -110.37 -67.59 139.00 78.94 1.43 19.62 54.12 10.66 13.67 6.99 13.03 0.00 0.77 0.76 45 K C C 159.12 1.57 8.81 11.56 104.88 -114.45 -83.37 58.37 76.17 2.35 21.48 43.27 15.73 17.32 6.24 14.99 0.00 1.15 1.30 46 Q C C 122.99 3.12 7.98 12.84 110.62 77.88 -91.00 121.66 81.67 2.34 15.99 47.05 18.77 15.95 4.91 10.81 0.00 1.10 1.41 47 N C C 122.71 1.82 9.86 12.91 106.29 -142.13 -89.84 53.50 90.61 1.67 7.72 50.42 27.85 12.65 2.55 4.72 0.00 0.72 1.09 48 T C C 71.40 5.12 8.13 15.16 115.36 118.11 -102.41 124.92 96.53 1.58 1.89 59.07 35.00 2.48 0.92 0.85 0.00 0.55 1.12 49 P C C 97.07 3.00 10.39 15.02 95.71 -149.18 -67.31 -21.62 86.44 1.20 12.36 36.48 18.49 32.28 3.91 7.58 0.00 0.56 0.70 50 W C C 156.73 4.45 8.76 14.77 99.80 64.72 -85.05 6.43 81.77 2.66 15.56 39.27 14.25 29.43 5.59 8.72 0.01 1.25 1.48 51 E C C 127.29 3.40 10.47 15.40 100.20 97.45 -80.13 -5.53 77.57 3.68 18.75 53.43 14.84 9.07 10.63 8.11 0.01 1.76 2.16 52 T C C 78.09 4.36 9.90 16.02 116.78 82.31 -96.92 139.54 74.65 3.45 21.90 51.20 14.47 9.05 14.84 6.96 0.01 1.74 1.74 53 K C C 134.65 3.09 11.30 15.77 102.77 -136.36 -78.61 0.33 62.06 3.59 34.34 38.02 12.39 12.24 23.44 10.38 0.04 1.91 1.57 54 W C C 147.65 5.63 9.64 16.75 98.13 62.82 -73.80 -17.43 54.44 3.22 42.33 27.80 11.80 15.41 26.63 15.14 0.07 1.80 1.34 55 T C H 78.61 5.49 10.52 17.52 98.87 66.61 -80.12 -12.27 50.65 3.99 45.36 27.60 10.19 13.17 28.44 16.73 0.07 2.38 1.44 56 K C C 136.11 2.94 12.02 16.30 99.42 74.59 -79.23 -11.69 51.82 4.71 43.47 26.03 12.16 14.23 25.93 17.07 0.14 2.72 1.73 57 I C C 106.09 4.21 10.82 16.46 101.90 64.17 -86.90 -11.20 57.49 6.88 35.63 28.45 13.84 16.19 21.63 13.16 0.26 3.96 2.51 58 Y C C 127.06 5.98 9.69 17.09 109.13 63.23 -98.29 66.82 66.90 8.92 24.18 37.29 19.51 11.15 14.93 8.23 0.16 3.96 4.77 59 L C C 92.43 4.21 10.11 15.96 112.00 -130.57 -85.91 127.83 80.60 2.42 16.98 58.92 15.84 5.87 9.02 7.89 0.00 1.17 1.29 60 P H G 96.29 3.20 10.04 14.82 95.77 -120.32 -65.73 -26.22 45.16 1.05 53.78 14.60 7.22 23.80 8.67 44.67 0.01 0.59 0.44 61 L H G 128.38 1.74 10.21 12.83 95.72 56.30 -75.63 -16.11 44.15 1.04 54.81 8.43 6.93 28.57 8.17 46.80 0.03 0.58 0.48 62 S H G 75.48 3.22 8.96 13.80 99.85 57.99 -89.55 -0.31 46.09 2.27 51.64 18.43 11.02 18.59 5.28 44.58 0.02 1.18 0.91 63 L C S 101.00 4.47 7.09 13.42 115.62 102.07 -90.38 132.75 92.86 2.48 4.66 39.03 48.97 5.14 1.53 2.75 0.00 0.97 1.62 64 P C C 110.28 1.65 8.71 11.80 110.02 -109.51 -70.10 138.78 96.33 1.44 2.23 88.21 2.64 5.73 0.74 1.14 0.00 0.72 0.82 65 L C C 123.75 3.16 9.56 14.63 107.16 -119.26 -79.95 104.92 99.84 0.12 0.04 99.59 0.19 0.12 0.02 0.01 0.00 0.06 0.03