# 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 129.29 3.50 9.83 15.06 116.52 -156.44 -97.80 133.71 99.86 0.09 0.04 99.79 0.09 0.05 0.02 0.00 0.00 0.04 0.01 1 L C C 127.30 2.44 7.39 11.60 114.34 -137.09 -87.78 132.17 79.73 5.24 15.03 75.43 1.39 3.36 12.98 1.77 0.00 2.77 2.29 2 R C C 182.19 1.34 7.20 9.98 113.90 -145.72 -94.91 128.80 71.25 5.50 23.25 56.92 8.08 5.38 20.99 3.38 0.01 3.69 1.55 3 T C C 106.18 2.02 7.09 10.84 115.41 -144.80 -98.11 133.05 64.07 5.60 30.32 51.44 7.19 4.66 27.46 3.94 0.01 4.06 1.24 4 T C C 102.39 2.25 7.24 11.27 115.73 -157.11 -98.40 134.39 59.11 5.35 35.55 47.42 6.30 4.89 32.08 4.26 0.01 3.84 1.18 5 V C H 116.26 2.18 7.59 11.33 110.90 -156.61 -93.74 111.14 49.60 4.04 46.36 37.60 6.83 5.58 41.42 4.88 0.02 2.72 0.94 6 S H H 82.91 2.37 8.18 12.09 112.34 79.96 -95.06 126.36 46.55 3.22 50.22 34.04 6.65 6.46 43.84 6.08 0.02 2.12 0.80 7 K H H 153.36 1.94 8.69 12.14 109.64 -147.03 -88.37 114.40 45.78 2.98 51.24 30.10 7.79 8.76 43.28 7.34 0.03 1.85 0.86 8 L C H 125.95 2.19 8.02 11.87 112.14 -142.11 -91.97 122.85 52.19 2.41 45.40 32.78 9.50 10.46 38.64 6.43 0.03 1.33 0.85 9 A C C 83.55 2.49 8.05 12.28 112.65 -132.59 -89.22 128.03 62.83 2.10 35.07 41.15 11.92 9.48 30.32 5.19 0.01 1.05 0.87 10 R C C 165.92 2.34 8.28 12.52 116.26 -144.58 -93.49 134.23 68.27 2.04 29.69 46.21 15.63 5.95 25.39 5.00 0.01 1.01 0.78 11 P C C 105.64 2.46 8.16 12.46 112.60 -111.92 -72.06 142.43 66.92 2.25 30.83 54.18 6.07 6.49 24.30 6.79 0.00 1.43 0.74 12 T C C 109.87 1.84 7.90 11.38 111.81 -131.96 -91.02 129.62 63.48 3.13 33.38 46.53 8.83 7.79 25.55 8.27 0.01 1.89 1.14 13 V C C 120.54 1.80 7.94 11.34 113.15 -144.99 -94.85 130.24 62.95 3.97 33.08 42.41 11.58 8.97 26.07 7.23 0.03 2.30 1.41 14 S C C 87.38 2.10 8.25 12.11 115.81 -145.44 -98.55 133.22 68.99 3.71 27.30 48.15 11.56 8.74 22.08 5.97 0.01 2.17 1.31 15 R C C 169.64 2.42 8.33 12.68 116.67 -148.64 -96.98 134.39 69.02 4.15 26.83 50.38 10.16 7.74 22.08 5.70 0.01 2.49 1.44 16 A C C 85.73 2.46 8.23 12.45 115.32 -140.21 -91.51 135.91 65.40 4.89 29.71 47.29 9.19 8.12 24.50 6.24 0.02 3.06 1.56 17 F C C 158.16 2.45 8.24 12.40 114.10 -145.53 -95.95 131.90 56.29 6.99 36.71 37.25 10.49 9.07 29.58 7.10 0.06 4.45 2.00 18 A C H 82.97 2.70 8.41 12.82 114.53 -150.82 -94.45 136.08 50.94 7.62 41.44 33.72 9.66 8.57 33.99 6.96 0.08 5.18 1.86 19 T H H 106.99 2.34 9.05 12.83 107.01 -153.37 -92.63 48.15 45.52 6.23 48.25 28.71 10.17 8.63 39.59 7.17 0.09 4.13 1.52 20 T H H 100.15 2.66 9.30 13.53 110.48 79.35 -93.58 124.46 45.24 5.01 49.74 29.77 9.16 7.99 40.57 7.87 0.06 3.42 1.17 21 S H H 79.44 3.39 9.41 14.53 110.73 84.60 -86.20 126.20 44.50 5.72 49.78 28.94 8.20 8.34 38.52 10.47 0.06 4.29 1.17 22 R C H 164.02 3.15 9.91 14.77 110.16 -135.56 -89.91 119.06 45.15 9.84 45.01 28.69 7.75 9.46 33.37 11.00 0.12 7.77 1.83 23 A C C 79.54 3.66 9.68 15.02 114.33 -142.04 -97.17 133.49 50.63 13.67 35.71 31.90 8.53 10.52 27.29 8.36 0.16 10.64 2.59 24 L C C 117.06 3.72 9.37 14.89 114.72 -154.06 -98.22 130.41 62.37 16.03 21.60 43.03 9.02 9.63 17.28 5.18 0.09 11.88 3.90 25 A C C 79.46 3.81 9.72 15.06 113.42 -150.31 -93.14 133.13 80.14 10.67 9.18 58.51 11.05 9.71 7.35 2.49 0.01 8.15 2.73 26 G C C 50.65 3.47 10.56 15.45 115.25 19.57 84.63 170.81 90.30 4.61 5.09 58.53 19.14 12.83 2.30 2.67 0.00 2.98 1.55 27 E C C 146.38 2.25 10.62 14.18 106.53 -70.69 -82.09 86.16 88.67 3.43 7.90 52.11 18.76 17.98 2.31 5.46 0.00 1.83 1.56 28 T C T 105.47 2.38 9.45 13.27 104.81 62.73 -87.15 30.22 91.39 2.34 6.27 32.82 20.82 38.19 1.40 4.48 0.00 1.20 1.09 29 G C C 56.69 2.40 11.10 14.62 103.93 5.56 82.21 2.38 94.09 2.41 3.50 34.95 30.03 29.28 0.61 2.89 0.00 1.19 1.06 30 A C C 64.06 4.35 9.07 15.41 118.76 119.41 -88.71 144.95 96.13 3.42 0.44 58.13 37.17 1.06 0.15 0.25 0.00 1.28 1.96 31 P C C 90.62 3.28 11.16 16.05 115.22 -102.75 -67.68 151.36 96.97 2.16 0.87 79.18 15.02 2.69 0.27 0.59 0.00 1.11 1.14 32 P C C 96.07 4.06 9.85 15.84 111.39 -102.34 -67.70 146.06 93.24 2.98 3.77 71.30 12.57 8.90 0.99 2.95 0.00 1.49 1.79 33 K C C 153.03 2.41 9.42 13.59 110.50 -120.35 -84.32 126.07 90.51 3.38 6.11 53.13 18.85 18.18 1.30 5.03 0.00 1.59 1.92 34 T C C 112.86 1.54 8.89 11.68 107.85 -109.01 -91.45 103.86 92.64 2.00 5.36 37.00 24.37 31.39 1.10 4.15 0.00 0.92 1.06 35 G C C 61.93 1.25 10.49 12.40 106.13 8.12 84.27 2.71 94.54 1.56 3.90 38.43 30.92 25.22 0.91 2.94 0.00 0.71 0.87 36 G C C 45.86 3.96 9.22 14.88 119.41 111.96 -95.99 169.27 93.14 2.32 4.54 54.19 32.77 6.05 2.62 1.84 0.00 0.86 1.66 37 P C C 111.20 2.05 11.23 14.34 105.84 -81.31 -79.59 78.23 81.50 2.06 16.44 51.11 14.78 15.63 10.65 5.57 0.00 0.92 1.32 38 G C C 44.74 4.50 10.81 16.78 113.47 52.60 -86.10 162.72 73.46 1.72 24.82 39.79 17.14 17.39 17.45 6.40 0.01 0.68 1.13 39 D C C 81.14 4.10 12.23 17.62 111.13 -90.69 -83.32 137.93 61.73 1.15 37.12 43.48 10.85 7.50 32.64 4.43 0.00 0.43 0.66 40 A H H 66.92 3.79 11.85 17.19 94.68 -121.02 -63.60 -35.47 14.81 0.20 84.99 6.91 3.50 5.61 81.14 2.65 0.02 0.08 0.09 41 F H H 125.60 2.25 13.53 16.24 93.09 53.17 -66.28 -39.28 8.34 0.14 91.53 3.43 1.45 3.96 88.61 2.41 0.01 0.07 0.05 42 Q H H 91.50 3.20 13.77 17.89 93.17 51.48 -66.31 -40.11 6.20 0.13 93.67 3.42 0.97 2.29 91.26 1.95 0.01 0.07 0.04 43 R H H 130.22 3.20 14.35 18.45 92.66 51.24 -65.36 -40.64 3.02 0.04 96.93 1.46 0.48 1.21 96.00 0.81 0.00 0.02 0.01 44 R H H 133.85 2.50 15.13 18.03 92.23 50.69 -64.75 -40.54 1.87 0.02 98.11 0.75 0.24 0.81 97.71 0.47 0.00 0.01 0.00 45 E H H 100.99 2.46 15.84 18.35 92.38 50.21 -64.74 -40.86 1.85 0.02 98.12 0.64 0.20 0.89 97.81 0.44 0.00 0.01 0.00 46 K H H 114.18 2.43 16.43 18.87 92.25 50.05 -65.14 -40.68 1.91 0.01 98.07 0.57 0.20 0.96 97.88 0.39 0.00 0.00 0.00 47 A H H 48.19 3.49 14.90 19.63 91.88 50.92 -64.06 -41.30 2.21 0.01 97.78 0.63 0.21 1.10 97.67 0.38 0.00 0.00 0.00 48 N H H 91.36 2.23 16.69 18.72 92.13 50.12 -65.09 -40.21 2.77 0.01 97.22 0.79 0.25 1.43 97.04 0.48 0.00 0.00 0.00 49 E H H 101.05 2.54 16.19 18.72 92.36 50.87 -64.73 -40.67 2.69 0.01 97.30 0.64 0.25 1.49 97.15 0.46 0.00 0.00 0.00 50 D H H 79.69 2.73 16.12 19.16 92.49 50.32 -65.53 -39.91 3.00 0.01 96.99 0.73 0.24 1.65 97.00 0.37 0.00 0.00 0.00 51 F H H 109.91 2.58 15.85 18.69 92.40 51.41 -64.95 -41.15 1.14 0.00 98.86 0.26 0.10 0.60 98.87 0.18 0.00 0.00 0.00 52 A H H 56.07 2.43 15.89 18.39 92.04 50.72 -63.75 -41.90 0.55 0.00 99.45 0.12 0.04 0.29 99.44 0.12 0.00 0.00 0.00 53 I H H 89.07 2.55 15.67 18.34 92.12 49.79 -64.11 -41.84 0.28 0.00 99.72 0.04 0.02 0.16 99.71 0.07 0.00 0.00 0.00 54 R H H 127.17 2.25 15.63 18.00 91.84 50.12 -64.67 -41.16 0.20 0.00 99.80 0.03 0.01 0.11 99.81 0.04 0.00 0.00 0.00 55 Q H H 99.31 2.00 16.07 17.83 91.69 50.26 -64.46 -41.08 0.22 0.00 99.78 0.03 0.01 0.14 99.80 0.03 0.00 0.00 0.00 56 R H H 130.62 1.97 15.94 17.59 91.85 50.13 -64.43 -41.16 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.03 0.00 0.00 0.00 57 E H H 96.29 2.69 15.41 18.49 91.88 50.18 -64.30 -41.36 0.25 0.00 99.75 0.04 0.01 0.14 99.79 0.02 0.00 0.00 0.00 58 K H H 117.01 1.99 16.01 17.83 91.90 50.10 -64.58 -40.84 0.22 0.00 99.78 0.03 0.01 0.13 99.81 0.02 0.00 0.00 0.00 59 E H H 102.75 1.86 15.92 17.38 91.69 50.32 -64.28 -40.86 0.19 0.00 99.81 0.02 0.01 0.11 99.84 0.02 0.00 0.00 0.00 60 K H H 114.31 2.12 15.90 17.85 91.93 50.18 -64.74 -40.95 0.23 0.00 99.77 0.02 0.01 0.14 99.79 0.03 0.00 0.00 0.00 61 L H H 87.31 2.46 15.09 17.83 91.94 50.23 -64.43 -41.16 0.20 0.00 99.80 0.02 0.01 0.12 99.80 0.05 0.00 0.00 0.00 62 L H H 87.66 1.94 15.69 17.39 91.57 50.27 -64.00 -40.98 0.21 0.00 99.79 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 63 E H H 103.02 1.95 15.89 17.49 91.70 50.62 -64.16 -41.11 0.28 0.00 99.72 0.03 0.01 0.17 99.75 0.04 0.00 0.00 0.00 64 L H H 88.10 2.49 14.74 17.54 91.78 50.28 -64.19 -41.11 0.32 0.00 99.68 0.05 0.02 0.18 99.70 0.06 0.00 0.00 0.00 65 K H H 121.65 1.78 15.31 16.88 91.77 50.71 -64.65 -40.22 0.37 0.00 99.63 0.05 0.02 0.22 99.64 0.07 0.00 0.00 0.00 66 K H H 123.27 1.51 15.75 16.54 91.87 50.22 -65.04 -40.39 0.56 0.00 99.43 0.09 0.03 0.33 99.46 0.09 0.00 0.00 0.00 67 K H H 116.14 2.00 15.46 17.31 91.94 50.50 -64.69 -40.82 0.70 0.00 99.30 0.13 0.04 0.38 99.34 0.10 0.00 0.00 0.00 68 L H H 89.32 2.23 15.02 17.39 91.92 50.27 -64.32 -40.75 0.67 0.00 99.32 0.17 0.05 0.33 99.36 0.10 0.00 0.00 0.00 69 A H H 56.75 1.92 15.40 17.18 91.45 50.81 -63.49 -41.18 0.60 0.00 99.40 0.12 0.04 0.29 99.45 0.09 0.00 0.00 0.00 70 E H H 105.59 1.89 15.75 17.26 91.96 50.02 -64.92 -40.76 0.61 0.00 99.39 0.09 0.04 0.34 99.43 0.10 0.00 0.00 0.00 71 Q H H 96.38 2.39 14.80 17.51 91.96 50.64 -64.58 -40.35 0.74 0.00 99.26 0.11 0.04 0.43 99.30 0.12 0.00 0.00 0.00 72 Q H H 104.09 1.83 15.35 16.93 91.82 50.79 -64.82 -40.41 0.77 0.00 99.23 0.14 0.05 0.42 99.28 0.11 0.00 0.00 0.00 73 K H H 119.47 1.53 15.77 16.55 91.74 50.52 -64.42 -40.78 0.71 0.00 99.29 0.12 0.05 0.40 99.32 0.12 0.00 0.00 0.00 74 H H H 107.71 2.20 15.01 17.27 91.86 50.17 -64.81 -41.14 0.89 0.00 99.11 0.15 0.06 0.52 99.10 0.16 0.00 0.00 0.00 75 L H H 92.43 2.18 14.70 17.11 91.87 50.34 -64.69 -40.72 0.85 0.00 99.15 0.17 0.06 0.47 99.15 0.15 0.00 0.00 0.00 76 K H H 122.59 1.47 15.70 16.39 91.91 50.59 -64.50 -40.95 0.84 0.00 99.16 0.18 0.07 0.44 99.17 0.14 0.00 0.00 0.00 77 T H H 76.62 1.86 15.64 17.09 91.75 49.91 -64.55 -41.42 1.11 0.00 98.89 0.20 0.08 0.66 98.88 0.19 0.00 0.00 0.00 78 L H H 85.29 2.69 14.56 17.80 91.88 49.86 -64.47 -41.21 1.04 0.00 98.96 0.21 0.08 0.58 98.94 0.19 0.00 0.00 0.00 79 S H H 59.34 2.22 14.99 17.44 91.81 50.73 -64.34 -41.05 0.91 0.00 99.08 0.20 0.07 0.49 99.08 0.16 0.00 0.00 0.00 80 D H H 86.81 1.59 15.74 16.59 92.03 50.29 -65.07 -40.75 1.26 0.00 98.74 0.20 0.09 0.77 98.74 0.19 0.00 0.00 0.00 81 H H H 108.42 2.11 15.29 17.29 92.14 50.23 -64.87 -41.64 1.24 0.00 98.75 0.22 0.10 0.75 98.71 0.22 0.00 0.00 0.00 82 I H H 88.87 2.73 14.39 17.71 92.11 49.86 -64.38 -41.85 0.79 0.00 99.21 0.17 0.07 0.42 99.14 0.19 0.00 0.00 0.00 83 D H H 83.21 1.85 14.90 16.65 91.67 50.58 -64.30 -40.48 0.96 0.00 99.04 0.19 0.07 0.54 98.92 0.28 0.00 0.00 0.00 84 E H H 105.81 1.68 14.91 16.18 91.86 50.50 -64.79 -40.97 1.51 0.01 98.49 0.25 0.13 0.95 98.22 0.45 0.00 0.00 0.00 85 I H H 89.89 2.25 13.51 16.25 92.24 49.56 -65.25 -41.23 2.60 0.01 97.38 0.44 0.28 1.67 96.98 0.62 0.00 0.00 0.00 86 T H H 71.55 2.72 12.07 15.92 92.61 50.28 -65.78 -39.79 7.49 0.06 92.44 1.73 0.98 4.60 91.54 1.08 0.02 0.03 0.02 87 R H H 157.65 1.33 12.25 13.69 92.70 51.60 -66.58 -37.09 18.48 0.18 81.34 4.75 2.42 11.40 79.05 2.17 0.03 0.08 0.09 88 E H H 142.78 1.13 11.83 12.81 94.29 51.99 -72.47 -26.76 29.62 0.34 70.04 7.87 4.52 17.77 66.88 2.59 0.04 0.14 0.19 89 Q C H 120.23 2.40 9.64 13.19 99.47 54.14 -86.18 -0.78 52.63 0.70 46.67 12.66 11.08 29.92 42.04 3.51 0.07 0.26 0.45 90 G C T 55.23 1.91 10.46 13.53 103.01 -97.62 68.70 9.07 73.48 0.53 25.99 16.21 12.23 45.47 18.90 6.54 0.02 0.22 0.42 91 G C T 53.64 2.53 9.79 13.85 104.97 -24.38 77.25 2.69 78.71 1.16 20.13 27.09 19.36 33.72 8.77 9.78 0.01 0.51 0.76 92 E C C 132.86 2.68 8.21 12.62 108.85 111.90 -86.19 111.47 81.34 2.50 16.16 51.34 14.39 15.84 7.57 8.18 0.00 1.27 1.41 93 R C C 173.31 1.85 8.42 11.83 110.28 131.49 -90.73 116.06 91.95 1.34 6.70 81.52 2.50 8.93 3.49 2.13 0.00 0.73 0.70 94 N C C 121.03 2.54 10.23 14.32 107.43 -130.31 -84.93 93.10 99.93 0.04 0.03 99.66 0.16 0.15 0.01 0.00 0.00 0.02 0.01