# 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 112.46 5.40 10.54 17.44 113.67 -150.94 -90.52 130.29 99.84 0.09 0.07 99.64 0.16 0.10 0.04 0.01 0.00 0.04 0.02 1 S C C 72.04 3.48 9.14 14.23 114.26 -155.26 -92.67 141.31 85.74 1.61 12.66 80.23 1.38 5.56 8.24 2.91 0.00 0.73 0.95 2 T C C 101.02 2.33 8.30 12.11 102.90 -139.49 -82.34 0.31 70.10 2.96 26.94 45.34 12.64 12.17 16.29 10.45 0.01 1.44 1.65 3 K C C 143.12 2.51 8.73 12.75 98.95 75.57 -76.42 -16.31 60.80 2.39 36.81 33.44 12.25 15.74 19.31 16.81 0.03 1.21 1.20 4 N C C 111.37 2.60 9.24 13.29 100.36 65.08 -83.05 5.32 64.25 2.12 33.62 36.07 12.31 16.38 18.32 14.71 0.02 1.03 1.16 5 A C C 73.77 3.51 8.81 14.06 105.93 99.26 -83.37 63.94 73.37 1.91 24.72 44.07 18.50 11.22 14.82 9.32 0.01 0.79 1.27 6 K C C 130.11 3.18 9.57 14.60 115.24 141.12 -90.94 133.08 90.49 0.97 8.55 59.27 27.78 3.30 6.98 1.67 0.00 0.32 0.68 7 P C C 87.52 4.00 9.55 15.48 111.79 -108.54 -69.27 145.90 83.35 0.94 15.71 68.83 6.38 8.02 11.52 4.25 0.00 0.47 0.54 8 K C C 139.03 3.14 9.48 14.41 108.56 -119.96 -82.73 129.10 76.07 1.70 22.23 54.68 12.23 8.86 15.56 6.83 0.00 0.75 1.09 9 K C C 137.88 2.71 9.84 14.16 112.75 -124.14 -83.44 136.36 68.80 1.85 29.35 47.80 12.64 8.44 19.50 9.74 0.00 0.88 0.99 10 E C C 125.53 3.31 9.87 14.91 108.66 -115.44 -79.60 129.24 64.21 2.01 33.78 46.84 8.30 9.10 20.97 12.75 0.00 1.05 0.98 11 A C C 70.94 4.60 8.91 15.23 106.76 -126.52 -82.97 84.28 64.08 1.84 34.08 41.68 10.86 11.57 18.00 16.00 0.01 0.93 0.95 12 Q C C 125.80 2.96 9.79 14.44 109.01 63.16 -85.52 111.97 72.13 2.00 25.86 47.44 12.25 12.57 12.57 13.04 0.01 1.00 1.12 13 R C C 162.52 2.65 9.76 14.18 112.86 -147.03 -91.11 129.96 84.22 2.03 13.75 56.09 18.75 9.59 6.69 6.59 0.00 0.88 1.42 14 R C C 140.27 4.98 8.44 15.37 115.69 -130.30 -90.46 134.24 97.77 0.86 1.37 70.85 25.81 1.17 0.88 0.43 0.00 0.31 0.55 15 P C C 91.10 3.76 9.89 15.49 112.37 -107.46 -67.91 149.44 93.40 0.66 5.94 80.50 6.59 6.57 2.31 3.28 0.00 0.33 0.42 16 S C C 91.09 1.89 10.08 13.37 107.94 -109.13 -79.75 111.22 88.10 1.45 10.45 62.06 15.09 10.61 3.44 7.17 0.00 0.68 0.94 17 R C C 156.23 3.84 9.15 14.89 112.16 -124.29 -91.57 125.11 86.03 2.12 11.86 60.11 17.65 7.90 3.79 8.19 0.00 0.97 1.40 18 K C C 136.12 3.88 11.19 16.89 112.22 -122.19 -83.53 131.67 88.67 2.55 8.78 68.01 13.85 6.61 2.78 6.04 0.00 1.30 1.41 19 A C C 70.16 6.02 12.58 20.11 111.20 -123.77 -83.47 129.35 89.73 5.10 5.17 72.29 12.60 4.74 1.82 3.25 0.00 3.07 2.23 20 K C C 104.73 8.42 14.75 24.26 121.12 -146.20 -98.88 143.21 81.61 16.29 2.10 69.98 8.35 1.40 1.26 0.90 0.00 6.39 11.71 21 V C C 29.97 15.74 12.12 28.40 110.60 -110.14 -79.80 126.76 90.75 8.25 1.00 86.01 3.75 0.58 0.66 0.29 0.00 3.81 4.90 22 K H G 118.13 4.81 18.47 24.42 93.08 -134.61 -62.22 -33.14 43.12 0.84 56.04 4.53 5.97 30.39 27.10 30.84 0.15 0.45 0.58 23 A H T 33.98 12.91 15.10 28.71 92.09 60.14 -68.61 -27.24 43.76 0.44 55.80 1.95 4.09 36.03 22.96 34.33 0.07 0.24 0.34 24 T H G 33.41 14.63 13.52 28.56 98.53 44.52 -95.48 -6.66 43.00 1.19 55.81 3.96 5.09 31.78 22.23 35.32 0.15 0.66 0.80 25 L C T 85.29 8.21 13.29 22.72 106.57 98.01 -71.56 114.87 57.11 2.52 40.37 5.87 8.90 39.89 24.15 17.42 0.43 1.12 2.23 26 G C T 57.04 2.19 15.77 18.39 99.39 9.19 78.02 -4.69 71.44 0.53 28.02 4.49 8.74 57.39 15.31 13.23 0.04 0.26 0.52 27 E C T 119.65 4.79 15.20 21.06 100.95 79.11 -91.23 -1.69 71.12 1.66 27.22 18.94 13.38 39.23 12.77 13.76 0.04 0.77 1.10 28 F C C 57.19 17.47 9.24 25.22 113.46 91.98 -96.55 125.73 66.39 4.62 28.99 41.89 12.20 12.10 12.61 16.33 0.03 2.18 2.65 29 D C C 108.40 2.96 17.87 21.43 101.74 114.82 -88.76 -8.89 69.97 3.99 26.04 36.30 18.16 16.15 9.18 16.34 0.03 2.19 1.65 30 L C C 86.75 8.87 15.73 25.24 110.31 54.32 -93.19 82.46 67.51 7.75 24.74 37.27 16.38 14.66 8.79 15.43 0.05 4.22 3.18 31 R C C 74.19 16.24 13.53 29.16 112.52 130.59 -94.60 119.50 84.21 6.01 9.78 66.19 13.15 4.25 5.12 4.83 0.00 3.01 3.45 32 D C C 61.25 8.07 19.88 28.59 109.85 -147.90 -103.38 107.04 94.50 2.26 3.24 89.69 3.27 1.86 1.45 1.29 0.00 1.01 1.44 33 Y C T 53.88 19.56 13.28 32.20 94.10 -170.39 -73.07 -14.46 86.69 0.36 12.95 5.35 6.73 74.45 3.05 9.98 0.00 0.19 0.25 34 R C T 146.04 5.00 18.53 24.50 93.03 65.91 -79.82 -12.80 87.62 0.28 12.10 3.33 9.18 75.36 2.54 9.25 0.00 0.14 0.19 35 N C C 66.55 7.64 16.20 25.28 105.96 72.85 -104.08 88.21 91.47 1.77 6.76 75.44 12.16 3.35 2.80 4.08 0.00 0.63 1.54 36 V H H 51.39 15.70 12.66 28.35 93.71 175.58 -64.13 -35.17 4.49 0.03 95.48 1.29 0.69 2.46 90.09 5.43 0.00 0.01 0.01 37 E H H 129.67 1.84 19.97 21.18 91.53 57.53 -63.58 -39.55 1.82 0.01 98.17 0.15 0.14 1.47 91.26 6.97 0.00 0.00 0.00 38 V H H 37.86 10.33 17.90 29.61 92.25 49.68 -65.87 -41.17 1.13 0.01 98.86 0.09 0.08 0.91 92.18 6.73 0.00 0.00 0.00 39 L H H 4.34 25.39 13.33 38.97 91.28 52.19 -63.90 -40.60 1.31 0.01 98.69 0.12 0.10 0.99 92.36 6.43 0.00 0.00 0.00 40 K H H 103.54 10.44 20.06 30.68 90.90 56.49 -63.69 -32.82 6.35 0.03 93.62 0.34 0.31 5.24 63.64 30.42 0.02 0.02 0.01 41 R H H 137.10 3.95 23.76 27.87 91.43 56.66 -70.35 -26.91 24.74 0.05 75.22 0.47 0.85 23.73 43.62 31.23 0.03 0.02 0.04 42 F H T 18.45 20.55 16.80 37.80 96.66 48.58 -97.04 -7.46 39.11 0.22 60.66 1.55 2.63 33.55 32.30 29.61 0.06 0.12 0.18 43 L E B 23.11 20.42 14.16 34.42 121.31 89.48 -91.01 140.96 6.09 93.71 0.21 3.01 0.77 0.02 0.19 0.01 0.00 6.94 89.06 44 S C C 30.79 9.72 15.43 26.79 123.13 -129.72 -79.46 170.23 96.93 2.93 0.13 97.05 0.41 0.14 0.05 0.04 0.00 1.65 0.67 45 E C T 159.44 1.87 15.53 18.22 90.58 -91.01 -64.04 -22.23 99.17 0.40 0.42 0.39 3.62 95.31 0.03 0.31 0.00 0.27 0.08 46 T C T 92.40 2.53 18.15 20.55 92.84 54.88 -88.11 -1.57 99.42 0.12 0.46 0.21 3.40 95.85 0.02 0.43 0.00 0.06 0.03 47 G C S 12.85 17.37 13.53 31.00 95.84 -107.87 82.45 10.05 99.45 0.35 0.21 11.03 87.58 0.96 0.02 0.14 0.00 0.13 0.14 48 K C C 93.06 6.30 22.95 30.17 121.76 134.67 -91.21 147.24 94.30 5.63 0.07 75.94 18.51 0.16 0.03 0.03 0.00 2.44 2.89 49 I E B 19.03 22.52 15.44 38.06 113.45 -112.28 -78.91 130.94 9.58 90.34 0.08 6.03 1.01 0.02 0.09 0.01 0.00 10.64 82.20 50 L C C 32.33 14.47 18.54 33.94 115.15 -123.20 -75.92 140.31 94.25 5.67 0.08 92.59 2.41 0.07 0.06 0.02 0.00 4.13 0.72 51 P C C 46.83 8.65 21.06 30.64 113.31 -107.00 -66.90 146.57 95.15 2.97 1.89 93.03 1.86 0.47 1.78 0.22 0.00 1.33 1.32 52 R H H 88.60 16.06 12.98 28.55 92.21 -117.82 -59.30 -34.16 9.71 0.11 90.17 1.74 1.89 6.33 80.21 9.67 0.06 0.05 0.06 53 R H H 171.88 1.86 18.11 20.20 91.39 59.36 -65.28 -32.27 8.17 0.12 91.71 1.04 1.14 5.92 79.83 11.86 0.09 0.07 0.05 54 R H H 128.46 6.20 17.68 24.71 95.07 47.91 -77.39 -28.94 8.47 0.15 91.38 0.99 1.39 6.26 80.17 10.91 0.13 0.07 0.07 55 T H H 22.08 18.38 13.10 31.11 99.29 40.75 -95.24 -13.91 17.86 0.28 81.86 2.75 4.59 12.13 77.67 2.40 0.15 0.10 0.20 56 G C C 43.83 4.45 22.24 27.21 95.58 -120.01 79.84 10.91 98.76 0.63 0.61 47.55 25.83 25.54 0.23 0.30 0.00 0.29 0.26 57 L C C 20.74 20.44 10.56 30.56 122.04 131.93 -86.66 150.20 94.71 4.95 0.34 70.14 23.07 0.57 0.24 0.10 0.00 1.25 4.63 58 S C C 46.31 4.77 20.21 25.38 120.02 -107.19 -72.67 161.72 98.68 1.13 0.19 97.86 0.92 0.10 0.12 0.02 0.00 0.30 0.68 59 A H H 66.28 7.12 15.63 24.18 91.24 -105.35 -58.14 -38.24 1.71 0.00 98.29 0.33 0.29 0.87 98.24 0.25 0.00 0.00 0.00 60 K H H 133.79 1.85 20.91 21.91 91.31 53.08 -63.91 -40.82 0.69 0.00 99.31 0.07 0.05 0.48 99.13 0.26 0.00 0.00 0.00 61 E H H 43.77 13.85 17.87 32.14 92.21 47.76 -66.28 -40.27 0.26 0.00 99.74 0.04 0.02 0.16 99.54 0.24 0.00 0.00 0.00 62 Q H H 27.27 19.25 16.17 35.04 91.44 52.66 -62.67 -42.34 0.09 0.00 99.91 0.01 0.01 0.05 99.89 0.05 0.00 0.00 0.00 63 R H H 128.98 3.53 23.81 27.29 91.42 50.40 -63.68 -41.33 0.09 0.00 99.91 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 64 I H H 68.07 7.24 23.52 31.14 91.56 48.98 -64.70 -42.40 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.02 0.00 0.00 0.00 65 L H H 7.30 23.44 18.75 42.13 91.85 49.82 -64.55 -42.29 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 66 A H H 24.60 14.23 21.99 36.25 91.59 51.61 -63.01 -42.36 0.15 0.00 99.85 0.01 0.00 0.10 99.87 0.02 0.00 0.00 0.00 67 K H H 109.21 2.94 26.47 28.68 91.69 49.68 -64.24 -41.94 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 68 T H H 20.18 14.19 21.83 36.67 91.72 49.38 -64.37 -43.03 0.20 0.00 99.80 0.02 0.01 0.13 99.81 0.02 0.00 0.00 0.00 69 I H H 9.51 23.08 19.26 41.96 91.84 49.75 -63.93 -42.91 0.16 0.00 99.84 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 70 K H H 95.10 7.48 24.01 31.81 91.38 50.98 -63.04 -41.97 0.18 0.00 99.82 0.02 0.01 0.12 99.82 0.04 0.00 0.00 0.00 71 R H H 109.68 4.39 24.01 28.27 91.67 49.53 -64.51 -41.88 0.23 0.00 99.77 0.02 0.01 0.16 99.76 0.05 0.00 0.00 0.00 72 A H H 7.86 16.98 15.99 34.23 91.57 51.11 -63.61 -42.21 0.25 0.00 99.75 0.03 0.01 0.15 99.69 0.11 0.00 0.00 0.00 73 R H H 86.07 12.32 17.15 29.56 91.94 51.45 -64.15 -41.26 0.48 0.00 99.52 0.04 0.02 0.35 99.32 0.27 0.00 0.00 0.00 74 I H H 110.42 2.84 18.05 21.23 91.78 49.83 -66.11 -35.01 1.30 0.01 98.70 0.06 0.05 1.13 98.47 0.28 0.00 0.00 0.00 75 L H H 88.52 5.81 14.83 21.98 93.57 52.22 -81.83 -7.79 17.33 0.03 82.63 0.26 0.50 17.73 80.70 0.74 0.04 0.01 0.03 76 G C T 48.60 5.03 15.59 21.77 96.00 -104.73 79.58 8.49 83.21 0.04 16.75 0.48 1.57 80.24 17.13 0.54 0.00 0.01 0.03 77 L C T 82.53 7.54 15.36 24.04 97.17 112.13 -87.90 -18.21 91.85 0.40 7.75 5.14 19.17 66.49 7.91 0.81 0.00 0.15 0.33 78 L C S 46.08 14.23 10.48 24.91 120.78 46.13 -116.96 129.99 95.00 1.36 3.64 36.62 54.80 3.71 1.87 1.55 0.00 0.50 0.96 79 P C C 84.07 4.22 15.51 20.87 103.56 -134.06 -68.41 37.57 93.93 0.67 5.40 56.30 22.54 14.88 1.70 3.90 0.00 0.33 0.35 80 F C C 128.09 6.13 12.47 20.02 108.24 59.48 -90.44 83.63 83.86 5.64 10.50 55.98 15.63 11.85 4.62 5.94 0.00 2.38 3.59 81 T C C 75.54 7.18 10.94 19.54 117.49 115.50 -102.37 132.72 81.10 4.53 14.37 67.27 8.53 5.20 8.14 6.22 0.00 2.72 1.91 82 E C C 125.23 4.30 11.11 17.22 112.57 -154.54 -96.74 126.04 64.98 2.95 32.07 41.03 12.77 11.18 16.05 16.18 0.01 1.76 1.02 83 K C C 138.37 3.33 11.32 16.43 114.13 -134.72 -94.54 129.34 62.27 3.29 34.44 37.66 11.56 13.00 17.79 16.91 0.03 2.02 1.03 84 L C C 97.00 6.57 8.95 17.13 114.81 -148.89 -95.87 128.57 61.58 5.17 33.26 42.87 9.18 9.47 17.93 15.68 0.03 3.44 1.41 85 V C C 95.87 4.78 8.57 15.23 115.14 -159.25 -99.72 127.06 67.90 8.26 23.84 51.62 8.53 7.38 17.16 7.20 0.03 5.73 2.34 86 R C C 162.23 2.89 8.44 13.31 114.63 -155.22 -98.60 128.75 82.14 4.86 13.00 74.93 1.76 6.11 9.73 2.63 0.00 3.30 1.53 87 K C C 154.35 2.36 11.10 15.09 112.12 -134.53 -88.86 127.82 99.70 0.17 0.13 99.41 0.18 0.19 0.09 0.01 0.00 0.10 0.02