# 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 L C C 90.16 8.01 11.24 20.31 112.91 -151.34 -86.75 132.05 99.91 0.06 0.02 99.85 0.07 0.04 0.01 0.00 0.00 0.02 0.01 1 E C C 129.52 3.11 10.69 15.44 111.17 -127.75 -83.09 131.23 87.15 1.62 11.23 81.63 1.20 5.49 7.52 2.51 0.00 0.86 0.77 2 E C C 140.74 2.43 10.01 14.02 107.36 -130.07 -80.89 86.41 73.96 2.81 23.23 42.54 12.34 19.63 13.99 8.65 0.01 1.54 1.31 3 G C C 51.10 3.13 10.52 15.04 107.70 33.76 -52.75 -13.59 74.64 2.56 22.80 42.22 14.41 18.56 12.38 9.88 0.01 1.31 1.23 4 K C C 135.81 3.35 10.70 15.47 105.28 59.20 -82.77 29.20 71.77 2.51 25.72 46.39 13.18 12.28 16.20 9.36 0.01 1.23 1.35 5 A C C 75.87 3.78 10.29 15.67 105.73 75.81 -76.81 96.33 72.67 1.61 25.71 32.47 16.57 24.61 17.00 7.65 0.02 0.70 0.99 6 G C C 49.91 3.34 11.88 16.41 104.46 30.92 63.09 -12.19 78.11 1.03 20.87 32.31 19.99 26.67 13.43 6.47 0.01 0.40 0.71 7 S C C 76.30 2.80 11.86 15.68 104.69 77.11 -86.26 3.86 71.01 1.01 27.97 33.56 20.85 16.80 22.90 4.83 0.01 0.37 0.67 8 G C H 37.63 3.76 12.91 17.83 115.38 5.67 58.43 -159.59 54.38 0.81 44.82 22.11 20.32 12.92 40.98 2.88 0.03 0.26 0.49 9 L H H 104.63 3.44 11.96 16.46 93.99 -27.24 -65.79 -37.44 10.97 0.17 88.86 4.68 2.40 4.72 85.89 2.15 0.02 0.07 0.08 10 R H H 148.77 2.14 13.62 16.44 92.26 53.19 -65.22 -39.61 4.49 0.07 95.44 1.96 0.67 2.00 93.71 1.60 0.00 0.04 0.02 11 Q H H 103.66 2.28 14.27 16.96 92.10 50.96 -65.84 -39.85 2.43 0.04 97.53 1.03 0.34 1.11 96.27 1.22 0.00 0.02 0.01 12 Y H H 122.79 2.72 14.19 17.55 92.29 50.64 -65.02 -41.79 1.65 0.02 98.33 0.60 0.20 0.81 97.79 0.57 0.00 0.01 0.01 13 Y H H 118.04 2.98 14.76 18.40 92.10 49.62 -64.88 -41.96 1.43 0.02 98.54 0.51 0.16 0.71 98.30 0.31 0.00 0.01 0.01 14 L H H 85.75 2.63 15.09 18.21 92.27 49.88 -64.66 -41.00 1.26 0.01 98.73 0.40 0.12 0.63 98.64 0.20 0.00 0.00 0.00 15 S H H 55.77 2.38 15.33 17.93 92.26 50.49 -64.76 -41.10 1.73 0.01 98.26 0.46 0.16 0.91 98.28 0.17 0.00 0.00 0.00 16 K H H 113.37 2.37 15.56 18.10 92.25 50.44 -65.40 -41.17 1.58 0.01 98.42 0.39 0.14 0.82 98.49 0.15 0.00 0.00 0.00 17 I H H 87.50 2.91 14.70 18.31 92.00 49.57 -64.80 -41.87 0.70 0.00 99.29 0.18 0.06 0.33 99.34 0.09 0.00 0.00 0.00 18 E H H 111.26 1.86 15.73 17.28 91.89 50.21 -64.48 -41.05 0.48 0.00 99.52 0.10 0.03 0.23 99.56 0.08 0.00 0.00 0.00 19 E H H 112.21 1.83 15.74 17.22 92.04 50.06 -65.04 -40.55 0.57 0.00 99.43 0.09 0.03 0.32 99.46 0.09 0.00 0.00 0.00 20 L H H 88.39 2.67 14.77 17.94 91.84 50.10 -64.91 -40.59 0.53 0.00 99.47 0.08 0.03 0.30 99.50 0.08 0.00 0.00 0.00 21 Q H H 103.75 2.26 15.33 17.80 92.00 51.12 -64.72 -40.48 0.51 0.00 99.48 0.09 0.03 0.28 99.53 0.07 0.00 0.00 0.00 22 L H H 91.53 1.92 15.62 17.23 91.95 50.16 -64.77 -41.26 0.69 0.00 99.31 0.12 0.05 0.38 99.35 0.10 0.00 0.00 0.00 23 I H H 91.00 2.21 15.44 17.69 92.01 49.78 -64.74 -42.20 0.94 0.00 99.05 0.19 0.07 0.53 99.08 0.12 0.00 0.00 0.00 24 V H H 78.46 2.61 15.03 18.09 91.86 49.23 -64.78 -41.88 1.38 0.01 98.61 0.32 0.14 0.75 98.62 0.16 0.00 0.00 0.00 25 N H H 91.48 1.82 15.75 17.15 92.02 50.08 -64.77 -40.94 2.80 0.01 97.19 0.71 0.28 1.54 97.22 0.24 0.00 0.00 0.00 26 D H H 85.22 1.95 16.00 17.57 92.25 49.82 -65.26 -40.78 3.27 0.01 96.72 0.81 0.37 1.82 96.69 0.30 0.00 0.00 0.01 27 K H H 113.69 2.52 15.52 18.31 92.13 50.20 -65.17 -40.57 2.59 0.01 97.40 0.63 0.28 1.43 97.31 0.34 0.00 0.00 0.00 28 S H H 56.24 2.56 15.33 18.32 91.93 50.89 -64.53 -40.89 2.76 0.01 97.23 0.70 0.28 1.51 97.12 0.38 0.00 0.00 0.00 29 Q H H 98.75 1.76 16.18 17.30 91.88 50.16 -64.58 -41.00 2.18 0.00 97.81 0.49 0.22 1.21 97.79 0.28 0.00 0.00 0.00 30 N H H 83.90 2.30 15.59 17.99 92.06 50.12 -64.84 -40.62 2.16 0.00 97.84 0.53 0.20 1.16 97.88 0.23 0.00 0.00 0.00 31 L H H 88.43 2.78 14.87 18.23 91.89 50.51 -64.63 -40.87 0.92 0.00 99.08 0.23 0.08 0.46 99.08 0.14 0.00 0.00 0.00 32 R H H 144.90 1.52 15.85 16.78 91.79 50.18 -64.80 -40.75 0.59 0.00 99.41 0.14 0.05 0.31 99.39 0.11 0.00 0.00 0.00 33 R H H 140.60 1.51 15.96 16.72 91.98 49.55 -64.92 -40.93 0.58 0.00 99.42 0.11 0.04 0.33 99.41 0.10 0.00 0.00 0.00 34 L H H 84.79 2.72 14.92 18.18 91.78 49.86 -64.48 -41.30 0.52 0.00 99.48 0.10 0.04 0.29 99.48 0.08 0.00 0.00 0.00 35 Q H H 98.84 2.30 15.70 18.16 91.91 50.50 -64.14 -41.39 0.49 0.00 99.51 0.08 0.03 0.28 99.53 0.07 0.00 0.00 0.00 36 A H H 56.07 1.86 15.84 17.32 91.51 50.30 -63.68 -41.31 0.69 0.00 99.31 0.11 0.04 0.41 99.35 0.09 0.00 0.00 0.00 37 Q H H 100.74 2.04 15.98 17.81 91.89 49.78 -65.07 -40.52 0.88 0.00 99.12 0.15 0.06 0.51 99.18 0.09 0.00 0.00 0.00 38 R H H 125.89 3.10 15.05 18.82 91.88 50.38 -64.61 -40.86 0.64 0.00 99.36 0.11 0.04 0.36 99.42 0.07 0.00 0.00 0.00 39 N H H 95.84 1.71 16.16 17.29 91.84 50.03 -64.91 -40.72 0.56 0.00 99.44 0.11 0.04 0.31 99.48 0.07 0.00 0.00 0.00 40 E H H 114.78 1.54 16.72 17.28 92.07 49.82 -64.90 -40.91 0.54 0.00 99.46 0.08 0.03 0.33 99.49 0.08 0.00 0.00 0.00 41 L H H 81.65 3.21 15.41 19.32 91.87 49.89 -64.43 -41.67 0.52 0.00 99.48 0.07 0.03 0.32 99.51 0.07 0.00 0.00 0.00 42 N H H 82.78 3.05 15.83 19.48 91.84 50.59 -64.48 -40.68 0.53 0.00 99.47 0.08 0.03 0.31 99.52 0.06 0.00 0.00 0.00 43 A H H 55.40 2.08 16.35 18.23 91.56 50.87 -63.89 -41.14 0.45 0.00 99.55 0.06 0.02 0.27 99.59 0.06 0.00 0.00 0.00 44 K H H 117.48 2.08 16.81 18.56 92.12 50.13 -64.89 -40.79 0.47 0.00 99.53 0.07 0.03 0.29 99.56 0.06 0.00 0.00 0.00 45 V H H 70.02 3.99 15.04 20.10 91.97 49.71 -64.61 -41.77 0.39 0.00 99.61 0.07 0.02 0.22 99.64 0.05 0.00 0.00 0.00 46 R H H 134.55 1.91 16.44 18.05 91.92 50.51 -64.40 -41.15 0.30 0.00 99.70 0.05 0.02 0.16 99.72 0.04 0.00 0.00 0.00 47 L H H 91.27 1.92 16.53 17.93 91.79 50.03 -64.05 -41.25 0.32 0.00 99.68 0.05 0.02 0.19 99.70 0.05 0.00 0.00 0.00 48 L H H 81.92 4.01 15.41 20.38 92.01 50.14 -64.72 -40.64 0.27 0.00 99.73 0.03 0.01 0.16 99.75 0.05 0.00 0.00 0.00 49 R H H 128.34 3.33 15.82 19.87 91.87 51.00 -64.36 -40.63 0.26 0.00 99.74 0.03 0.01 0.15 99.76 0.04 0.00 0.00 0.00 50 E H H 105.94 1.84 17.24 18.31 91.77 50.15 -64.45 -41.06 0.29 0.00 99.71 0.03 0.02 0.17 99.73 0.05 0.00 0.00 0.00 51 E H H 98.26 3.44 16.88 20.74 91.99 49.95 -64.70 -40.83 0.38 0.00 99.62 0.04 0.02 0.23 99.63 0.07 0.00 0.00 0.00 52 L H H 65.62 7.10 14.75 23.34 92.22 50.29 -64.56 -40.46 0.56 0.00 99.44 0.07 0.03 0.34 99.39 0.17 0.00 0.00 0.00 53 Q H H 101.08 2.64 17.11 19.89 91.90 51.18 -64.20 -40.47 1.19 0.00 98.80 0.15 0.06 0.79 98.51 0.48 0.00 0.00 0.00 54 L H H 90.21 2.50 16.72 19.18 92.14 50.72 -64.79 -40.36 2.91 0.01 97.09 0.35 0.20 2.07 96.27 1.09 0.00 0.00 0.00 55 L H H 65.82 8.10 13.76 23.20 92.99 50.31 -66.83 -38.04 6.55 0.04 93.42 1.42 0.72 4.15 91.60 2.06 0.01 0.02 0.02 56 Q H H 98.76 6.96 14.06 22.25 92.85 54.68 -66.37 -33.85 14.26 0.12 85.63 3.71 1.58 8.90 81.88 3.79 0.02 0.06 0.06 57 E H H 138.81 1.85 16.07 17.95 93.66 56.91 -70.54 -27.55 26.41 0.22 73.38 4.03 3.01 19.31 69.36 4.01 0.06 0.10 0.12 58 Q C T 114.11 3.92 15.16 20.01 98.31 52.53 -83.07 -4.04 63.30 0.36 36.34 4.96 7.46 49.31 33.63 4.19 0.04 0.15 0.26 59 G C T 37.68 7.53 16.22 24.69 104.35 -87.65 91.80 9.54 94.80 0.81 4.39 24.50 10.21 60.66 2.67 1.26 0.00 0.47 0.24 60 S C C 36.49 13.13 15.78 29.35 118.23 136.17 -96.21 143.56 87.43 11.48 1.09 68.79 15.26 2.93 0.33 0.70 0.00 11.05 0.94 61 Y E E 70.16 14.54 20.58 34.85 119.23 -149.56 -105.30 131.79 42.27 57.25 0.48 36.12 3.91 1.00 0.13 0.32 0.00 57.57 0.95 62 V E E 37.30 16.12 21.96 37.71 125.17 -168.52 -117.82 137.07 12.68 87.21 0.12 11.16 1.20 0.18 0.04 0.06 0.00 86.76 0.60 63 G E E 8.44 18.95 20.20 38.63 139.22 164.86 -140.85 166.53 5.21 94.76 0.03 4.09 0.69 0.08 0.01 0.01 0.00 95.04 0.09 64 E E E 77.67 9.10 25.49 35.33 122.87 -119.76 -115.57 138.74 1.75 98.24 0.01 1.46 0.12 0.01 0.00 0.00 0.00 98.37 0.03 65 V E E 21.99 21.60 15.11 36.84 109.79 -119.68 -79.26 123.39 0.83 99.16 0.01 0.76 0.02 0.00 0.00 0.00 0.00 99.19 0.02 66 V E E 64.09 7.74 20.84 29.56 101.54 176.05 -95.41 -33.01 1.75 98.24 0.01 1.21 0.31 0.02 0.00 0.00 0.00 98.44 0.02 67 R E E 120.52 3.60 23.57 27.51 136.14 -0.57 -151.21 146.81 1.71 98.28 0.01 1.10 0.43 0.04 0.00 0.00 0.00 98.41 0.02 68 A E E 45.84 15.72 12.31 27.42 111.09 -124.37 -84.34 125.42 5.20 94.77 0.03 4.71 0.31 0.04 0.01 0.01 0.00 94.81 0.12 69 M E E 90.47 6.20 15.29 23.02 101.29 176.37 -92.76 -35.91 35.69 64.09 0.22 22.55 12.12 1.90 0.03 0.21 0.00 62.54 0.65 70 D C E 77.69 2.24 18.95 20.40 137.77 -22.06 -155.58 173.20 54.26 45.35 0.40 14.80 32.73 7.79 0.04 0.42 0.00 43.10 1.13 71 K C T 149.44 4.15 14.51 20.36 93.16 -75.89 -64.35 -25.62 99.44 0.28 0.28 1.52 40.52 57.46 0.01 0.26 0.00 0.18 0.05 72 K C T 110.39 8.24 15.86 24.69 101.75 25.48 -110.37 -2.57 99.29 0.52 0.19 1.70 40.45 57.20 0.01 0.18 0.00 0.42 0.05 73 K E E 66.69 10.14 19.44 30.71 130.24 64.47 -129.36 142.63 9.83 90.15 0.01 7.87 1.63 0.06 0.00 0.01 0.00 90.11 0.31 74 V E E 7.22 21.06 16.62 38.47 130.97 -176.37 -131.94 147.58 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 75 L E E 28.96 11.63 24.51 37.54 115.95 -135.99 -101.25 128.17 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 76 V E E 7.80 22.18 18.03 40.66 123.15 -168.58 -118.19 133.35 0.25 99.75 0.00 0.22 0.00 0.00 0.00 0.00 0.00 99.77 0.00 77 K E E 80.03 9.20 22.62 32.31 113.07 -141.02 -94.71 123.44 1.58 98.41 0.01 1.43 0.07 0.01 0.00 0.00 0.00 98.45 0.03 78 V E E 36.04 16.06 15.41 31.45 105.69 -174.24 -97.98 0.31 17.70 82.25 0.05 13.67 3.13 0.21 0.01 0.03 0.00 82.73 0.22 79 H E E 71.27 7.23 15.88 24.37 135.44 0.87 -140.53 162.69 38.31 61.28 0.41 19.80 15.32 4.39 0.05 0.42 0.00 58.49 1.52 80 P C T 109.02 2.85 13.98 18.27 92.79 -84.12 -65.30 -20.39 98.79 0.41 0.80 1.22 14.17 83.34 0.03 0.87 0.00 0.30 0.07 81 E C T 138.23 2.37 14.29 17.21 96.99 51.06 -92.36 -4.89 98.76 0.49 0.74 1.98 13.52 83.14 0.03 0.87 0.00 0.39 0.08 82 G E E 24.64 7.93 15.68 24.90 132.03 -88.45 118.96 178.05 42.92 56.80 0.28 34.31 6.60 1.37 0.04 0.28 0.00 56.83 0.58 83 K E E 102.16 11.15 15.76 27.56 127.79 -92.03 -125.40 144.56 14.79 85.18 0.03 13.18 0.91 0.08 0.01 0.02 0.00 85.66 0.14 84 F E E 45.33 15.06 18.40 34.01 130.65 -172.56 -132.13 146.43 0.96 99.04 0.00 0.87 0.05 0.01 0.00 0.00 0.00 99.05 0.02 85 V E E 48.78 13.70 21.32 35.17 119.11 -147.63 -109.59 128.47 0.30 99.70 0.00 0.28 0.01 0.00 0.00 0.00 0.00 99.69 0.02 86 V E E 12.58 19.96 17.96 38.20 124.62 -171.53 -119.85 136.42 1.20 98.79 0.00 1.17 0.04 0.00 0.00 0.00 0.00 98.71 0.07 87 D E E 68.79 7.63 24.83 32.76 110.48 -127.81 -80.19 124.46 14.49 85.45 0.05 13.46 0.90 0.08 0.02 0.03 0.00 85.02 0.49 88 V C C 15.79 23.02 13.24 35.62 105.04 -169.01 -96.05 13.96 85.07 12.97 1.96 70.00 11.98 2.67 0.56 1.41 0.00 11.71 1.68 89 D C C 64.33 8.93 17.16 26.81 111.71 124.40 -77.39 137.24 91.23 6.75 2.02 68.24 15.99 6.40 0.52 1.62 0.00 2.90 4.32 90 K C T 158.59 2.45 15.91 19.45 94.02 -102.78 -66.96 -18.55 97.64 0.46 1.90 1.03 8.80 88.00 0.18 1.51 0.00 0.28 0.20 91 N C T 108.68 4.17 16.27 20.94 95.98 52.79 -92.56 -3.89 98.70 0.29 1.01 2.27 7.76 88.64 0.10 0.92 0.00 0.22 0.09 92 I C C 24.81 20.37 9.10 28.34 123.06 80.04 -108.99 139.87 88.94 10.79 0.28 49.69 39.30 0.51 0.12 0.15 0.00 3.08 7.15 93 D C C 82.39 3.37 21.61 24.68 106.51 -127.12 -85.06 110.94 98.81 1.11 0.08 98.66 0.41 0.09 0.02 0.03 0.00 0.41 0.38 94 I H G 46.47 20.14 10.28 29.42 92.88 -165.90 -66.42 -25.00 19.02 0.26 80.72 2.92 1.52 11.87 0.94 82.55 0.00 0.17 0.03 95 N H G 127.08 1.62 18.35 20.05 90.54 65.77 -70.79 -17.23 19.95 0.12 79.93 0.53 1.05 16.35 0.52 81.47 0.00 0.07 0.01 96 D H G 96.52 3.44 18.62 22.49 96.75 51.72 -97.02 1.04 19.76 0.14 80.11 1.26 1.50 14.00 0.49 82.66 0.00 0.08 0.01 97 V C C 10.30 24.57 8.12 31.39 115.97 108.74 -85.41 132.15 98.67 1.07 0.26 83.30 14.85 0.20 0.11 0.11 0.00 0.22 1.21 98 T C C 69.31 3.86 24.03 27.53 130.01 -173.56 -123.22 158.65 99.57 0.41 0.02 97.68 1.86 0.04 0.01 0.01 0.00 0.10 0.30 99 P C T 66.57 12.41 15.61 28.05 108.00 -91.60 -61.31 139.76 99.18 0.39 0.43 0.37 3.02 95.98 0.02 0.31 0.00 0.20 0.10 100 N C T 107.87 4.41 20.71 25.73 94.49 24.23 70.31 6.62 99.56 0.23 0.21 0.71 3.09 95.79 0.01 0.19 0.00 0.18 0.02 101 C C C 24.86 15.43 15.48 31.88 117.86 133.91 -75.62 146.39 90.32 9.62 0.06 80.78 9.02 0.23 0.01 0.06 0.00 9.56 0.33 102 R E E 104.56 9.78 24.56 34.59 116.30 -125.93 -91.06 132.36 10.29 89.68 0.03 9.99 0.39 0.03 0.01 0.02 0.00 88.91 0.65 103 V E E 4.61 24.79 18.61 43.76 134.49 -173.90 -133.15 153.34 1.11 98.88 0.01 1.07 0.04 0.00 0.00 0.00 0.00 98.83 0.05 104 A E E 13.41 15.17 25.19 41.03 121.67 -134.75 -107.91 138.55 0.52 99.47 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.47 0.02 105 L E E 14.30 21.21 17.96 39.39 122.31 -155.75 -113.79 134.37 1.43 98.57 0.01 1.36 0.06 0.01 0.00 0.00 0.00 98.41 0.16 106 R E E 78.72 9.51 18.81 29.34 113.27 -123.43 -79.19 134.32 33.17 66.69 0.14 30.25 1.61 0.34 0.03 0.11 0.00 66.99 0.68 107 N C T 81.08 10.94 14.43 25.76 97.66 -129.68 -66.06 -31.63 94.14 1.80 4.07 4.47 13.09 75.85 0.16 4.60 0.00 1.54 0.29 108 D C T 122.05 1.28 17.09 17.65 97.69 42.29 -75.87 -21.56 94.73 0.45 4.82 3.21 11.61 79.17 0.19 5.36 0.00 0.30 0.15 109 S C T 57.07 5.47 16.58 22.79 104.43 28.65 -102.53 -6.12 94.88 0.97 4.15 9.23 18.63 65.74 0.17 5.29 0.00 0.70 0.23 110 Y C T 73.92 16.27 14.56 30.55 95.21 -122.51 62.28 29.43 95.92 3.27 0.82 35.16 18.06 42.69 0.09 0.85 0.00 2.84 0.33 111 T E E 47.94 8.04 22.36 31.42 119.15 142.06 -95.18 141.23 41.89 57.99 0.12 34.68 5.94 0.67 0.02 0.13 0.00 57.12 1.44 112 L E E 21.00 21.63 15.66 37.49 114.50 -128.31 -90.06 128.01 3.57 96.43 0.00 3.29 0.21 0.02 0.00 0.00 0.00 96.28 0.20 113 H E E 64.88 11.82 20.81 32.82 122.06 -171.52 -109.99 146.87 0.74 99.26 0.00 0.65 0.04 0.00 0.00 0.00 0.00 99.29 0.02 114 K E E 98.08 7.69 22.41 30.65 125.91 -85.21 -117.37 143.78 0.38 99.62 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.63 0.01 115 I E E 53.85 16.72 14.71 31.26 114.80 -128.35 -92.42 128.05 3.33 96.67 0.00 3.22 0.10 0.01 0.00 0.00 0.00 96.28 0.39 116 L C C 46.71 12.71 12.87 26.77 117.91 -140.59 -91.10 141.62 79.89 20.10 0.00 79.73 0.24 0.02 0.00 0.00 0.00 19.84 0.16 117 P C C 92.04 3.76 18.16 22.54 111.33 -96.86 -66.58 145.92 99.80 0.19 0.00 99.66 0.16 0.04 0.00 0.00 0.00 0.13 0.01