# 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 121.28 5.08 10.82 17.55 113.23 -159.52 -94.02 128.73 99.69 0.26 0.05 99.53 0.19 0.08 0.02 0.01 0.00 0.13 0.05 1 A C C 81.75 3.18 9.14 14.10 114.56 -162.41 -94.62 137.27 85.69 9.13 5.17 81.01 1.50 3.99 2.38 1.95 0.00 6.26 2.91 2 S C C 88.87 2.09 8.00 11.74 114.83 -148.02 -97.05 133.08 75.04 16.80 8.16 54.28 12.44 8.04 3.53 4.63 0.02 12.91 4.15 3 I C C 130.50 2.63 7.63 12.12 114.78 -156.65 -100.72 128.59 66.87 21.78 11.35 49.33 10.74 6.36 6.06 5.55 0.05 17.68 4.24 4 T C C 105.50 2.27 8.56 12.48 115.35 -158.83 -97.42 132.08 66.51 22.25 11.24 51.76 8.39 5.41 6.44 5.16 0.03 18.47 4.33 5 M C C 133.99 3.20 8.21 13.37 114.05 -158.16 -97.34 125.20 67.19 18.17 14.64 49.28 11.24 5.81 9.21 6.24 0.04 13.87 4.31 6 T C C 96.83 3.30 9.69 14.80 116.11 -162.53 -95.88 139.86 67.06 12.74 20.20 49.84 10.01 6.70 11.50 9.31 0.03 9.35 3.26 7 A C C 76.76 4.51 9.46 15.72 113.26 -128.75 -85.72 137.87 54.85 8.14 37.02 34.45 10.95 10.64 12.70 23.73 0.04 5.62 1.88 8 S C C 80.62 3.86 10.22 15.74 111.77 -152.15 -95.54 128.98 54.23 9.38 36.40 29.96 11.57 14.43 12.21 23.12 0.07 6.52 2.14 9 F C C 149.35 3.64 9.73 14.99 111.22 -155.48 -99.12 107.95 55.43 13.45 31.11 29.88 12.89 14.68 10.73 19.17 0.15 9.29 3.21 10 L C C 118.09 3.65 9.50 15.00 114.23 -160.20 -100.53 131.06 73.95 13.63 12.41 43.32 18.97 12.27 6.47 5.87 0.07 9.43 3.60 11 G C C 51.61 3.56 10.64 15.95 117.60 -158.07 -114.14 154.66 86.39 10.45 3.16 58.33 18.10 9.96 1.11 2.06 0.00 8.47 1.97 12 T C C 94.08 4.21 9.81 15.91 119.18 -147.50 -106.51 142.55 79.33 16.43 4.24 58.57 13.92 6.59 1.62 2.77 0.00 13.20 3.32 13 T C C 98.57 3.37 10.07 15.21 111.85 -144.97 -97.62 127.82 70.35 23.59 6.07 52.27 10.91 6.61 2.58 3.73 0.02 18.27 5.61 14 V C C 106.95 3.77 9.40 14.90 110.00 95.44 -95.91 96.86 71.73 20.04 8.23 46.04 14.94 10.94 3.11 5.32 0.04 14.87 4.73 15 S C C 75.72 4.02 9.07 14.85 113.90 73.76 -92.85 134.30 80.42 13.28 6.30 48.69 20.59 11.71 1.98 4.39 0.02 9.46 3.17 16 K C C 156.29 2.04 10.35 13.75 110.36 -144.31 -92.50 116.76 89.01 7.87 3.13 50.26 34.57 4.90 0.98 2.08 0.00 4.84 2.38 17 Q C C 127.56 3.01 9.33 14.24 116.87 -132.79 -95.96 133.31 96.15 3.41 0.44 72.92 23.04 0.58 0.20 0.22 0.00 1.86 1.17 18 P C C 89.25 4.15 9.02 15.18 115.49 -109.03 -68.08 148.07 96.43 1.92 1.65 92.81 3.18 0.86 0.66 0.70 0.00 1.11 0.70 19 P C C 99.99 3.37 8.79 14.07 112.10 -105.44 -69.20 144.45 87.84 3.81 8.36 77.05 6.07 4.68 3.29 4.89 0.00 2.22 1.81 20 T C C 109.40 1.93 8.63 12.06 111.98 -132.96 -88.95 128.50 80.77 7.34 11.89 58.81 13.67 7.87 4.98 7.11 0.01 4.17 3.38 21 H C C 146.08 2.31 8.19 12.21 114.74 -152.10 -100.22 125.34 80.40 7.23 12.37 56.79 15.02 8.41 5.53 7.01 0.01 4.46 2.78 22 H C C 142.52 2.56 8.30 12.68 116.07 -156.15 -100.80 129.32 85.50 5.29 9.21 62.50 15.09 7.77 4.92 4.38 0.00 3.26 2.07 23 L C C 124.04 2.62 8.36 12.84 115.07 -152.43 -97.30 132.40 86.25 5.40 8.35 63.75 15.21 7.13 5.16 3.36 0.00 3.36 2.02 24 R C C 166.69 2.44 8.47 12.74 116.06 -149.57 -99.34 132.70 83.41 6.98 9.60 65.18 11.23 6.58 6.51 3.45 0.00 4.47 2.59 25 R C C 170.05 2.46 8.30 12.52 111.32 -151.06 -91.75 121.83 76.45 8.07 15.48 58.23 9.78 7.68 12.13 4.09 0.01 5.55 2.53 26 G C C 52.57 2.77 9.17 13.35 116.28 -146.01 -98.50 145.32 66.37 10.82 22.81 47.20 11.01 7.71 18.64 4.89 0.05 8.29 2.21 27 V C C 113.56 2.38 9.07 12.87 110.51 -117.27 -91.76 123.40 48.42 19.21 32.37 34.78 7.88 5.81 27.19 5.17 0.13 16.37 2.67 28 V C H 103.19 3.14 9.17 13.91 112.50 -152.80 -93.99 128.92 38.03 25.83 36.13 28.63 5.06 4.35 31.39 4.72 0.08 23.13 2.64 29 M H H 125.62 3.21 9.71 14.38 112.92 -145.19 -89.07 128.98 36.73 24.61 38.66 28.03 4.45 4.34 33.12 5.12 0.07 22.56 2.31 30 A C H 72.18 4.04 9.55 15.22 111.03 -131.20 -82.35 132.64 42.26 18.03 39.70 30.36 6.04 6.19 32.53 6.51 0.09 16.30 1.98 31 K C C 149.77 2.27 11.33 14.78 108.49 -122.89 -84.91 118.89 52.41 11.71 35.88 34.10 8.59 10.16 28.40 7.11 0.14 9.48 2.01 32 A C C 72.07 4.69 9.29 15.56 112.76 -142.69 -90.01 127.08 67.74 6.49 25.78 44.61 11.38 11.69 20.44 5.58 0.06 4.30 1.94 33 M C C 120.35 3.97 9.85 15.61 116.24 -144.19 -96.35 137.97 87.09 4.22 8.69 69.68 11.18 5.71 7.00 2.25 0.00 2.58 1.60 34 P C C 96.42 3.55 9.52 14.77 114.70 -127.44 -85.92 144.53 94.12 2.39 3.49 85.95 4.82 3.54 2.27 1.04 0.00 1.60 0.78 35 E C C 142.57 2.42 9.73 13.83 112.65 -129.42 -90.59 129.75 94.92 2.47 2.62 88.54 3.91 2.71 1.58 0.84 0.00 1.56 0.86 36 T C C 95.58 3.27 8.82 13.96 116.22 -156.46 -98.87 135.29 95.35 2.35 2.29 90.18 3.60 1.84 1.44 0.70 0.00 1.47 0.77 37 T C C 101.40 2.65 9.15 13.59 113.97 -145.08 -95.15 129.85 93.01 3.25 3.74 85.75 4.65 2.74 2.72 0.99 0.00 1.96 1.20 38 T C C 95.67 3.28 8.82 13.91 114.15 -152.67 -97.80 130.61 89.79 2.91 7.30 77.65 7.72 4.18 5.77 1.76 0.00 1.74 1.18 39 T C C 94.47 3.26 9.45 14.46 111.59 -150.21 -91.80 131.52 83.53 3.25 13.22 67.75 9.49 5.66 10.85 3.01 0.00 1.94 1.30 40 T C C 87.25 4.20 9.08 14.99 113.95 -149.93 -89.96 137.92 74.97 3.29 21.74 57.94 9.57 6.88 17.78 4.60 0.00 1.93 1.30 41 K C C 137.44 3.19 10.15 14.91 108.06 -131.77 -82.68 115.13 67.94 2.75 29.31 50.06 9.63 7.91 23.78 5.98 0.01 1.57 1.06 42 E C C 127.40 3.48 10.49 15.41 106.41 -89.46 -80.03 83.69 65.28 2.43 32.29 46.76 9.50 8.74 26.40 6.30 0.01 1.33 0.96 43 E C C 120.66 4.29 10.39 16.16 106.47 54.91 -83.07 81.81 66.69 1.69 31.62 47.17 10.03 9.05 26.86 5.29 0.01 0.83 0.76 44 T C C 86.50 4.11 11.19 16.73 105.86 59.86 -84.87 27.20 64.85 1.30 33.84 43.43 9.96 11.02 29.85 4.52 0.00 0.61 0.61 45 S C C 72.33 3.85 12.06 17.22 101.24 59.77 -78.19 -14.84 60.41 1.20 38.40 34.22 12.29 14.23 33.72 4.41 0.02 0.52 0.60 46 S C C 61.48 5.62 11.64 18.65 102.47 63.25 -80.76 5.21 59.52 1.39 39.09 36.92 11.58 11.22 35.50 3.50 0.02 0.57 0.69 47 K H H 115.94 4.09 13.83 18.92 100.45 69.20 -73.83 -32.43 44.94 1.30 53.77 30.94 8.22 6.51 50.93 2.31 0.01 0.54 0.54 48 R H H 130.77 4.48 14.79 20.25 94.35 57.20 -65.95 -39.39 11.47 0.34 88.19 6.70 2.01 3.48 85.85 1.65 0.01 0.18 0.12 49 R H H 114.69 6.57 16.15 23.42 93.21 52.26 -66.34 -39.79 6.72 0.21 93.07 3.31 1.05 2.69 91.26 1.50 0.01 0.12 0.07 50 D H H 66.84 6.97 17.00 24.82 92.83 52.07 -66.08 -39.95 3.79 0.11 96.10 2.00 0.56 1.45 94.96 0.93 0.00 0.06 0.03 51 L H H 78.82 5.86 18.17 24.69 92.64 51.39 -65.36 -41.23 1.35 0.04 98.61 0.64 0.17 0.56 98.33 0.27 0.00 0.02 0.01 52 V H H 68.52 6.45 19.21 26.24 91.98 50.33 -64.40 -42.27 0.71 0.02 99.28 0.31 0.07 0.30 99.19 0.12 0.00 0.01 0.00 53 F H H 91.22 8.15 19.89 28.46 92.03 49.91 -64.90 -41.13 0.38 0.01 99.62 0.14 0.03 0.16 99.60 0.06 0.00 0.00 0.00 54 A H H 46.15 7.39 20.42 28.28 92.07 50.75 -64.67 -41.70 0.24 0.00 99.76 0.06 0.02 0.12 99.76 0.03 0.00 0.00 0.00 55 V H H 70.55 6.32 22.61 29.11 91.96 49.10 -64.81 -42.30 0.18 0.00 99.82 0.03 0.01 0.10 99.83 0.02 0.00 0.00 0.00 56 A H H 42.05 9.00 21.83 31.20 92.18 50.06 -64.41 -42.24 0.14 0.00 99.86 0.02 0.01 0.08 99.88 0.02 0.00 0.00 0.00 57 A H H 41.70 9.45 22.43 32.05 91.87 50.44 -63.98 -42.09 0.14 0.00 99.86 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 58 A H H 47.29 7.18 23.73 31.06 91.70 50.31 -63.95 -41.93 0.15 0.00 99.85 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 59 A H H 43.29 8.21 23.29 31.82 91.94 50.01 -64.40 -42.19 0.20 0.00 99.80 0.02 0.01 0.13 99.79 0.04 0.00 0.00 0.00 60 A H H 40.13 10.58 22.24 32.93 91.85 50.38 -64.15 -41.95 0.49 0.00 99.51 0.05 0.02 0.35 99.47 0.11 0.00 0.00 0.00 61 C H H 55.15 7.72 22.48 30.52 91.79 50.13 -64.95 -41.57 1.54 0.00 98.46 0.16 0.08 1.16 98.34 0.26 0.00 0.00 0.00 62 S H H 48.85 6.20 22.41 29.02 91.90 51.37 -64.60 -41.71 2.83 0.01 97.16 0.47 0.26 1.95 96.80 0.50 0.00 0.01 0.01 63 V H H 60.64 8.29 21.29 29.87 92.09 49.64 -64.96 -41.45 2.67 0.02 97.31 0.60 0.30 1.68 96.74 0.65 0.00 0.01 0.01 64 A H H 34.47 10.21 18.10 29.29 91.47 51.77 -64.21 -40.94 3.30 0.04 96.66 1.07 0.35 1.76 95.84 0.94 0.00 0.02 0.01 65 R H H 120.61 4.62 20.50 25.51 92.15 51.27 -64.94 -40.67 5.15 0.10 94.74 1.44 0.57 3.14 92.59 2.16 0.01 0.06 0.03 66 I H H 78.86 5.01 18.45 24.15 92.18 50.76 -65.62 -39.97 7.17 0.21 92.62 2.05 0.92 4.34 89.18 3.27 0.03 0.14 0.06 67 A H H 39.78 9.26 13.85 24.42 92.46 52.08 -66.80 -32.16 18.74 0.41 80.85 5.10 2.18 11.81 77.29 3.15 0.07 0.22 0.18 68 M H H 104.41 5.88 13.92 21.08 94.47 56.42 -75.31 -21.24 41.86 0.89 57.25 12.13 4.98 25.78 52.64 3.48 0.10 0.41 0.49 69 A C H 80.79 2.45 13.25 16.31 97.10 65.28 -77.95 -22.32 64.80 1.44 33.76 21.61 15.46 28.66 29.51 3.34 0.07 0.53 0.82 70 E C S 124.24 3.16 12.74 17.11 115.86 58.19 -95.24 145.95 86.55 1.22 12.23 29.70 32.54 24.74 8.71 3.07 0.01 0.46 0.77 71 E C C 141.21 2.95 14.75 19.07 110.24 -100.33 -82.55 125.57 98.52 0.83 0.65 60.54 36.41 1.66 0.29 0.30 0.00 0.33 0.48 72 P C C 49.08 14.09 9.02 22.96 115.73 -121.23 -67.98 149.34 97.83 1.15 1.02 90.68 5.81 1.29 0.46 0.41 0.00 0.45 0.90 73 K C C 139.80 2.27 16.28 18.97 116.03 -119.57 -84.78 142.74 97.11 2.11 0.78 91.18 4.07 1.01 0.36 0.30 0.00 0.54 2.55 74 R C T 159.67 4.95 11.84 18.86 109.81 -98.90 -61.79 134.97 98.90 0.34 0.77 3.69 6.55 88.74 0.17 0.48 0.00 0.20 0.16 75 G C T 53.54 2.94 14.77 18.49 96.02 21.58 87.51 -2.87 99.47 0.12 0.41 2.95 7.57 89.01 0.06 0.30 0.00 0.07 0.04 76 T C S 43.41 7.07 10.41 19.90 119.43 127.33 -80.40 149.47 98.60 0.99 0.42 39.72 58.61 0.19 0.30 0.07 0.00 0.15 0.95 77 P H H 98.89 2.03 14.58 17.10 91.36 -114.28 -58.65 -37.88 8.27 0.04 91.68 0.97 1.25 6.28 87.81 3.62 0.04 0.02 0.03 78 E H H 101.46 3.47 15.71 20.02 91.78 53.96 -65.19 -38.16 5.79 0.03 94.18 0.59 0.52 4.57 89.86 4.42 0.02 0.02 0.01 79 A H H 11.08 15.59 11.04 27.62 91.54 52.02 -64.38 -40.47 1.88 0.02 98.10 0.37 0.20 1.18 93.97 4.26 0.00 0.01 0.00 80 K H H 99.36 9.22 15.62 25.63 91.75 52.86 -64.68 -39.03 1.71 0.02 98.27 0.36 0.18 1.07 94.51 3.87 0.00 0.01 0.00 81 K H H 137.22 2.08 18.98 20.67 92.52 50.88 -67.87 -36.06 5.24 0.05 94.71 0.48 0.43 4.23 88.58 6.19 0.04 0.03 0.02 82 K H H 105.98 7.03 18.36 25.96 95.11 44.71 -74.80 -34.01 13.94 0.09 85.97 0.79 1.02 12.22 81.33 4.46 0.09 0.04 0.05 83 Y H H 54.28 16.75 14.32 30.67 101.25 38.78 -101.00 -8.76 38.53 1.02 60.45 6.36 7.20 26.76 54.23 4.08 0.27 0.40 0.69 84 A C C 41.97 11.35 16.29 28.29 101.66 94.63 -67.65 -36.79 79.03 3.98 17.00 43.22 28.88 7.47 10.99 5.62 0.03 1.80 1.99 85 P C C 72.61 6.55 19.63 26.49 99.18 58.35 -70.78 -16.68 73.12 8.32 18.56 50.62 13.07 9.35 11.14 7.60 0.03 5.23 2.96 86 V C C 55.93 12.82 16.21 28.93 100.51 72.88 -79.55 -21.09 60.45 18.80 20.75 39.84 11.85 8.32 13.21 7.99 0.23 11.22 7.35 87 C C C 53.27 11.82 15.36 27.21 101.72 55.27 -80.80 -6.45 67.93 14.74 17.33 49.15 9.76 8.49 11.01 6.60 0.05 10.56 4.38 88 V C C 81.55 8.14 15.66 24.29 99.38 58.45 -82.56 -24.87 74.95 10.72 14.33 40.66 18.15 17.10 8.67 5.22 0.06 7.18 2.96 89 T C C 78.30 6.65 16.63 23.82 100.90 46.63 -88.64 -18.47 79.01 7.10 13.89 33.58 26.73 19.70 8.71 4.64 0.06 4.44 2.14 90 M C C 77.42 10.67 14.59 25.62 110.33 53.29 -97.95 95.49 81.60 5.59 12.81 38.25 37.70 5.80 10.51 2.61 0.03 2.84 2.26 91 P C C 65.39 8.03 16.03 25.07 101.88 -126.33 -68.21 -3.46 70.71 3.22 26.07 48.61 8.64 12.59 21.18 5.82 0.01 1.99 1.16 92 S C C 43.94 10.02 15.87 26.53 96.60 55.33 -76.20 -26.16 58.61 5.13 36.25 41.59 7.00 9.97 28.90 7.50 0.02 3.02 2.00 93 A H H 43.51 10.66 13.55 25.07 94.06 62.86 -65.25 -31.22 28.83 5.45 65.72 15.82 6.27 8.36 45.39 18.73 0.13 4.28 1.02 94 R H H 133.10 4.38 16.59 21.95 93.65 62.36 -67.46 -33.63 22.08 9.29 68.63 11.19 4.35 7.46 45.67 21.59 0.15 8.55 1.04 95 I H H 75.82 7.93 13.93 23.09 94.91 54.66 -71.67 -34.06 23.21 10.43 66.36 10.62 4.65 8.68 44.06 21.28 0.23 9.19 1.28 96 C H H 60.52 8.96 11.58 21.56 98.74 52.86 -85.29 -11.59 36.02 14.31 49.67 17.08 6.91 13.08 33.56 15.02 0.40 11.08 2.86 97 Y C C 134.86 5.49 10.52 17.55 103.56 72.28 -88.70 21.04 68.80 8.12 23.08 51.89 3.62 13.06 19.01 4.03 0.02 5.19 3.17 98 K C C 146.41 3.25 12.85 17.58 101.34 -137.09 -77.26 52.81 99.70 0.17 0.13 99.24 0.24 0.29 0.09 0.01 0.00 0.10 0.03