# 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 107.96 7.15 13.73 22.18 119.37 -163.51 -96.07 136.14 99.87 0.12 0.01 99.81 0.09 0.02 0.00 0.00 0.00 0.06 0.02 1 A C C 68.38 5.99 12.99 20.50 114.43 -112.54 -72.66 144.49 91.10 6.79 2.11 89.34 1.11 1.44 0.88 0.74 0.00 4.19 2.29 2 K C C 127.80 6.89 12.11 20.52 113.73 -124.97 -87.73 129.18 79.84 15.96 4.21 63.63 10.20 4.97 1.59 2.74 0.00 9.65 7.21 3 S C C 61.91 7.49 13.56 22.11 122.22 155.54 -115.32 149.48 77.57 17.19 5.24 48.75 18.29 11.08 1.55 3.81 0.02 11.20 5.30 4 G C C 45.36 6.03 16.50 23.28 102.25 -34.89 83.60 1.02 77.87 17.11 5.02 43.64 22.95 12.41 1.52 3.43 0.02 12.14 3.89 5 I C C 61.47 11.48 12.95 25.49 117.27 134.76 -90.58 135.39 69.59 25.52 4.89 53.72 10.96 3.58 2.89 2.41 0.04 16.05 10.34 6 A C C 53.08 8.76 15.24 25.06 113.68 -141.87 -87.95 131.16 70.43 23.93 5.64 51.99 11.68 5.82 3.03 2.96 0.02 15.74 8.75 7 A C C 55.34 8.03 13.87 22.99 128.49 24.62 -134.50 145.53 71.17 20.48 8.35 30.07 29.40 12.72 3.20 4.99 0.17 11.23 8.20 8 G C S 44.35 3.60 16.22 20.65 118.84 19.47 74.80 -149.13 74.16 5.02 20.83 10.83 33.17 31.04 2.15 17.66 0.04 2.71 2.38 9 V C T 105.59 4.80 14.45 20.15 93.88 -26.27 -72.76 -22.81 74.04 1.77 24.19 3.78 13.69 55.19 1.55 23.82 0.02 1.04 0.93 10 N C T 66.17 10.10 11.14 22.07 99.30 53.23 -100.50 16.28 70.80 5.80 23.41 8.03 13.68 48.26 1.62 22.76 0.04 3.70 1.91 11 K C T 129.19 5.72 11.73 19.70 110.45 140.21 -60.30 129.98 87.29 7.77 4.94 6.72 8.03 72.75 0.95 3.87 0.01 5.05 2.64 12 G C T 58.08 2.13 15.15 17.64 94.68 16.35 84.30 -1.11 91.63 5.92 2.45 7.34 11.73 72.46 0.29 2.42 0.00 5.09 0.68 13 R C C 114.13 6.46 12.43 20.76 117.72 124.16 -84.94 141.69 78.63 19.94 1.43 57.50 18.62 2.69 0.43 1.16 0.00 15.63 3.97 14 K E B 143.18 3.02 15.77 20.15 113.85 -113.13 -75.48 138.19 36.64 62.62 0.74 32.34 2.09 0.49 0.56 0.26 0.00 30.48 33.77 15 T C C 48.22 15.06 9.04 23.44 120.17 -145.76 -98.27 143.99 77.85 21.07 1.08 69.07 7.25 1.45 0.53 0.62 0.00 17.45 3.63 16 T C C 82.82 4.18 15.61 20.73 118.10 -134.40 -101.69 137.58 84.39 13.99 1.62 72.10 10.17 1.85 0.77 0.87 0.00 11.05 3.18 17 A C C 70.19 6.04 11.85 19.46 112.63 -109.65 -70.51 142.30 85.72 9.51 4.76 70.78 10.53 4.19 2.07 2.68 0.00 7.45 2.29 18 K C C 120.41 6.84 9.31 17.56 112.69 -127.46 -87.35 131.26 91.61 3.58 4.81 69.29 17.51 4.84 1.79 3.01 0.00 2.23 1.34 19 E C C 152.13 1.74 11.50 14.16 108.90 -148.22 -86.45 102.82 92.71 2.92 4.37 70.91 17.70 4.12 1.80 2.53 0.00 1.72 1.21 20 V C C 99.78 4.40 9.47 15.72 115.58 78.76 -98.05 132.12 94.17 2.69 3.14 76.83 14.84 2.42 1.60 1.43 0.00 1.38 1.50 21 A C C 72.99 3.70 11.16 16.59 116.82 -118.08 -81.04 145.69 98.18 0.80 1.02 84.14 13.52 0.65 0.67 0.28 0.00 0.37 0.38 22 P C C 80.35 6.76 10.06 18.47 113.69 -104.58 -65.53 147.39 96.51 0.82 2.67 89.83 5.68 1.37 1.45 0.84 0.00 0.35 0.48 23 K C C 120.43 4.79 11.19 17.66 114.69 -115.84 -82.60 140.93 93.37 1.39 5.24 87.76 4.65 1.45 2.68 1.86 0.00 0.47 1.14 24 I H G 112.46 4.53 11.42 17.57 95.26 -120.30 -63.08 -29.88 44.53 1.23 54.24 23.10 7.47 14.19 9.70 44.36 0.00 0.70 0.47 25 S H G 67.78 5.30 11.44 18.26 97.11 62.47 -79.17 -13.26 42.29 0.97 56.75 15.84 7.73 18.73 10.03 46.74 0.00 0.55 0.37 26 Y H G 134.65 6.06 12.14 19.52 98.91 60.16 -93.13 6.27 44.29 1.33 54.38 21.25 9.98 13.62 10.38 43.51 0.00 0.72 0.54 27 R C C 123.46 7.17 11.33 19.95 112.92 102.75 -89.74 129.25 72.85 2.19 24.95 45.56 15.81 11.28 10.04 14.83 0.01 0.96 1.53 28 K C T 145.20 3.16 12.71 17.36 112.18 -136.44 -89.57 131.50 84.57 2.55 12.88 34.21 16.93 34.28 6.30 5.60 0.01 1.14 1.52 29 G C T 43.68 5.64 12.52 19.45 119.45 -0.49 98.05 -167.28 88.46 1.61 9.93 28.54 24.07 36.50 3.41 5.81 0.00 0.74 0.92 30 A C C 66.86 5.96 11.86 19.12 112.36 -67.48 -84.33 137.84 88.02 2.86 9.13 61.19 16.49 10.11 4.00 4.99 0.00 1.27 1.95 31 S C C 74.96 5.40 11.48 18.34 104.34 -131.35 -82.00 35.65 90.00 2.33 7.66 61.83 19.20 8.83 4.01 3.51 0.00 0.98 1.64 32 S C C 52.45 5.45 11.65 18.65 122.86 87.27 -100.46 160.26 90.59 2.13 7.28 59.10 27.54 3.76 5.60 1.71 0.00 0.63 1.66 33 Q H H 141.81 1.58 13.55 15.69 92.84 -106.81 -62.44 -33.91 28.11 0.27 71.62 4.12 6.57 17.49 62.29 9.08 0.16 0.11 0.18 34 R H H 140.19 3.74 14.46 19.15 93.16 53.01 -68.08 -35.90 28.29 0.27 71.44 3.46 4.03 20.32 62.43 9.36 0.13 0.13 0.14 35 T H H 34.06 12.39 11.87 25.02 95.36 48.39 -72.62 -33.57 23.17 0.39 76.43 7.36 3.06 12.85 67.91 8.39 0.05 0.23 0.16 36 V H H 75.79 5.81 16.06 23.07 92.71 59.07 -63.13 -41.81 3.69 0.05 96.26 1.64 0.59 1.29 95.81 0.63 0.00 0.02 0.01 37 F H H 119.35 2.64 19.18 21.43 92.23 50.36 -64.95 -41.59 1.80 0.03 98.17 0.62 0.22 0.88 97.77 0.48 0.00 0.02 0.01 38 V H H 45.98 10.93 17.55 29.04 92.25 48.95 -65.13 -42.03 0.79 0.01 99.19 0.22 0.09 0.41 98.92 0.34 0.00 0.01 0.00 39 R H H 67.49 14.40 16.62 30.89 91.85 51.38 -63.56 -41.20 0.52 0.00 99.47 0.11 0.05 0.29 99.31 0.24 0.00 0.00 0.00 40 S H H 52.92 4.31 20.35 25.00 91.80 51.51 -64.48 -40.56 1.05 0.01 98.94 0.16 0.08 0.71 98.73 0.32 0.00 0.00 0.00 41 I H H 70.43 5.62 20.03 26.14 92.09 49.58 -64.99 -42.34 1.78 0.02 98.21 0.21 0.16 1.34 97.97 0.31 0.01 0.01 0.00 42 V H H 24.75 15.62 15.42 31.73 92.47 49.40 -65.51 -42.39 3.34 0.04 96.62 0.44 0.45 2.35 96.37 0.34 0.01 0.01 0.01 43 K H H 89.99 10.53 16.57 27.41 92.27 50.99 -64.50 -40.46 4.54 0.05 95.41 0.71 0.55 3.13 94.89 0.67 0.02 0.02 0.01 44 E H H 130.02 2.25 18.75 20.84 93.88 46.45 -70.20 -37.94 7.21 0.05 92.74 0.59 0.69 6.05 91.70 0.88 0.04 0.02 0.02 45 V H H 78.42 6.95 16.75 23.99 99.14 36.45 -84.50 -36.99 17.12 0.08 82.79 0.73 1.61 14.98 81.55 0.96 0.10 0.03 0.05 46 A H H 39.06 11.81 14.93 27.12 100.39 26.14 -97.40 -15.37 32.34 0.27 67.39 2.66 7.19 22.66 66.13 0.98 0.11 0.07 0.20 47 G C S 37.29 5.80 18.67 25.45 101.12 -119.40 82.85 5.52 97.99 0.59 1.42 37.75 41.60 18.72 0.63 0.73 0.00 0.26 0.32 48 L C C 56.44 13.39 15.26 28.87 121.67 87.44 -101.83 143.74 95.40 2.99 1.60 65.62 25.12 4.16 0.86 0.69 0.00 0.98 2.57 49 A C C 26.94 11.28 17.09 29.64 119.32 -122.04 -77.32 156.84 97.91 0.29 1.80 88.44 8.62 0.60 1.89 0.16 0.00 0.08 0.22 50 P H H 67.00 7.65 18.81 27.64 91.91 -110.27 -57.85 -37.01 10.62 0.04 89.34 1.82 1.61 6.90 87.94 1.68 0.02 0.01 0.02 51 Y H H 82.06 12.18 19.56 31.73 92.10 53.72 -65.13 -38.43 7.35 0.03 92.62 1.03 0.74 5.38 90.74 2.05 0.02 0.01 0.02 52 E H H 42.58 16.50 18.32 34.36 92.54 50.76 -65.94 -40.09 2.97 0.02 97.01 0.92 0.32 1.61 95.36 1.77 0.00 0.01 0.01 53 R H H 100.14 9.43 21.12 30.69 91.83 51.71 -64.62 -41.17 0.58 0.00 99.42 0.16 0.05 0.26 99.27 0.25 0.00 0.00 0.00 54 R H H 100.95 7.76 22.89 30.81 91.85 50.03 -64.83 -41.00 0.38 0.00 99.62 0.06 0.02 0.22 99.53 0.17 0.00 0.00 0.00 55 L H H 17.60 18.48 19.17 37.65 92.03 50.40 -64.29 -42.71 0.30 0.00 99.70 0.03 0.01 0.19 99.59 0.17 0.00 0.00 0.00 56 I H H 36.86 13.73 20.48 34.60 91.51 50.61 -63.39 -42.26 0.19 0.00 99.81 0.02 0.01 0.12 99.75 0.10 0.00 0.00 0.00 57 E H H 79.88 4.92 23.12 28.03 91.44 50.55 -63.55 -41.36 0.27 0.00 99.73 0.02 0.01 0.19 99.62 0.14 0.00 0.00 0.00 58 L H H 33.48 10.94 18.31 30.76 91.58 50.53 -64.31 -41.71 0.46 0.00 99.54 0.03 0.02 0.35 99.20 0.40 0.00 0.00 0.00 59 I H H 30.06 16.01 15.16 31.46 92.06 49.69 -65.35 -40.64 1.47 0.00 98.52 0.12 0.10 1.12 98.03 0.63 0.00 0.00 0.00 60 R H H 140.88 4.50 17.86 23.34 92.21 49.37 -66.94 -37.62 6.94 0.01 93.05 0.31 0.37 6.04 92.67 0.59 0.01 0.00 0.00 61 N H H 104.85 3.03 16.23 19.59 97.22 43.89 -86.45 -15.04 30.40 0.07 69.53 1.60 2.75 25.00 69.62 0.93 0.03 0.02 0.05 62 A C T 53.00 8.58 12.19 21.74 96.81 55.45 -82.54 -8.15 77.89 0.24 21.86 9.14 14.63 51.61 22.80 1.51 0.01 0.08 0.22 63 G C T 58.15 2.06 16.58 19.18 95.70 -120.79 73.10 15.74 98.35 0.19 1.46 39.62 14.04 44.91 0.70 0.53 0.00 0.08 0.11 64 E C C 63.28 11.64 10.85 23.66 108.04 151.87 -84.40 111.11 97.43 0.41 2.16 92.16 4.34 1.06 1.65 0.33 0.00 0.11 0.36 65 K H H 142.79 2.69 17.00 20.92 94.26 -170.88 -67.25 -34.39 10.32 0.04 89.64 4.11 2.56 3.16 89.48 0.67 0.00 0.01 0.02 66 R H H 127.38 3.72 20.13 23.96 91.84 54.05 -64.52 -41.10 2.53 0.01 97.46 0.52 0.30 1.45 97.18 0.54 0.00 0.00 0.00 67 A H H 8.55 18.28 14.50 33.49 91.69 50.32 -64.36 -42.29 0.98 0.01 99.02 0.26 0.09 0.50 98.56 0.58 0.00 0.00 0.00 68 K H H 60.81 13.62 17.90 31.62 91.50 51.75 -62.74 -41.86 0.45 0.00 99.55 0.11 0.04 0.22 99.35 0.28 0.00 0.00 0.00 69 K H H 115.30 2.06 24.64 24.93 91.86 50.13 -63.91 -42.04 0.52 0.00 99.48 0.09 0.04 0.28 99.42 0.16 0.00 0.00 0.00 70 L H H 40.59 8.69 20.69 30.65 91.65 49.68 -64.10 -42.73 0.67 0.00 99.32 0.09 0.05 0.42 99.23 0.21 0.00 0.00 0.00 71 A H H 4.52 20.78 13.50 34.99 91.26 50.96 -63.00 -42.54 0.91 0.01 99.09 0.13 0.08 0.54 99.13 0.11 0.00 0.00 0.00 72 K H H 98.18 7.90 17.58 26.34 91.72 51.17 -64.01 -40.35 0.86 0.00 99.14 0.10 0.06 0.53 99.17 0.13 0.00 0.00 0.00 73 K H H 150.61 1.18 19.56 19.18 92.21 48.85 -66.48 -38.85 1.29 0.00 98.70 0.06 0.06 1.07 98.56 0.24 0.00 0.00 0.00 74 R H H 115.39 7.36 16.90 25.02 98.29 37.20 -83.29 -37.86 3.71 0.00 96.29 0.07 0.17 3.51 95.95 0.29 0.01 0.00 0.00 75 L H H 48.42 12.66 12.57 25.87 101.63 25.89 -105.43 -16.01 10.99 0.03 88.98 0.49 1.42 8.66 89.15 0.24 0.02 0.01 0.02 76 G C S 50.61 2.30 17.33 19.83 98.03 -127.28 78.32 -2.89 99.52 0.16 0.32 30.62 63.04 5.92 0.14 0.12 0.00 0.06 0.10 77 T C S 60.08 3.47 17.46 21.61 134.91 39.27 -141.84 158.47 98.21 1.16 0.62 41.22 56.18 0.68 0.52 0.10 0.00 0.19 1.12 78 H H H 107.77 9.36 12.91 23.32 92.09 -116.63 -61.78 -36.17 6.54 0.02 93.44 1.03 2.83 2.66 92.97 0.48 0.01 0.00 0.01 79 K H H 144.37 1.27 19.15 19.09 91.83 53.10 -63.38 -41.84 2.14 0.00 97.85 0.17 0.23 1.58 97.55 0.47 0.00 0.00 0.00 80 R H H 97.96 4.99 18.86 24.61 92.09 46.94 -66.10 -39.62 0.74 0.00 99.26 0.10 0.06 0.48 98.84 0.51 0.00 0.00 0.00 81 A H H 6.54 18.52 12.28 31.66 91.03 52.74 -62.32 -43.04 0.29 0.00 99.71 0.05 0.02 0.16 99.60 0.17 0.00 0.00 0.00 82 L H H 80.56 6.12 20.63 27.30 91.69 50.80 -63.68 -41.34 0.17 0.00 99.83 0.02 0.01 0.09 99.82 0.06 0.00 0.00 0.00 83 R H H 135.40 1.73 23.05 22.78 91.66 49.89 -64.40 -41.86 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 84 K H H 62.06 11.83 19.21 31.38 92.26 48.97 -65.66 -40.82 0.11 0.00 99.89 0.01 0.00 0.07 99.90 0.03 0.00 0.00 0.00 85 V H H 24.57 16.72 16.61 33.52 91.92 50.39 -63.66 -42.34 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.02 0.00 0.00 0.00 86 E H H 106.48 2.46 22.85 24.19 91.44 50.32 -63.60 -41.81 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.02 0.00 0.00 0.00 87 E H H 94.83 3.77 21.83 25.35 91.55 49.54 -64.70 -41.50 0.16 0.00 99.84 0.01 0.00 0.10 99.86 0.02 0.00 0.00 0.00 88 M H H 25.45 16.73 16.36 33.57 92.12 49.95 -64.84 -41.17 0.19 0.00 99.81 0.02 0.01 0.11 99.83 0.03 0.00 0.00 0.00 89 T H H 58.50 8.35 19.43 28.47 91.55 51.72 -63.42 -40.50 0.19 0.00 99.81 0.02 0.01 0.12 99.83 0.03 0.00 0.00 0.00 90 Q H H 107.71 1.95 21.78 22.27 92.02 50.22 -65.03 -40.88 0.23 0.00 99.77 0.02 0.01 0.15 99.79 0.03 0.00 0.00 0.00 91 V H H 47.75 7.97 18.43 27.73 92.07 49.70 -64.54 -43.00 0.22 0.00 99.78 0.03 0.01 0.13 99.79 0.05 0.00 0.00 0.00 92 I H H 42.08 10.94 16.17 28.43 91.95 48.93 -64.23 -42.23 0.30 0.00 99.70 0.04 0.02 0.17 99.69 0.07 0.00 0.00 0.00 93 A H H 49.62 3.23 16.86 20.79 91.53 50.73 -63.32 -40.92 0.60 0.00 99.40 0.08 0.04 0.38 99.36 0.16 0.00 0.00 0.00 94 E H H 99.26 2.44 15.61 18.30 92.03 50.45 -65.33 -39.58 1.86 0.00 98.13 0.19 0.12 1.31 97.86 0.51 0.00 0.00 0.00 95 S H H 48.91 6.71 11.60 20.01 92.54 51.98 -66.95 -35.65 7.36 0.01 92.63 0.64 0.49 5.66 92.12 1.08 0.00 0.00 0.00 96 R H H 150.81 3.13 11.31 15.90 93.03 53.77 -69.95 -28.09 26.89 0.10 73.01 3.35 2.47 20.51 72.06 1.48 0.02 0.03 0.07 97 R C H 174.42 1.24 10.76 12.43 96.83 55.73 -79.70 -12.94 58.79 0.36 40.86 25.50 1.62 29.33 41.68 1.52 0.00 0.12 0.23 98 H C C 134.98 3.20 10.37 15.25 104.75 84.95 -82.74 57.33 99.94 0.02 0.04 99.80 0.08 0.09 0.02 0.00 0.00 0.01 0.00