# 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 66.75 14.99 14.15 28.78 119.68 -169.09 -102.87 136.10 98.80 1.18 0.02 98.78 0.32 0.05 0.01 0.00 0.00 0.69 0.14 1 Q C C 107.93 4.95 17.69 23.85 122.09 -147.07 -109.32 137.83 81.82 17.96 0.22 81.26 1.39 0.17 0.14 0.06 0.00 12.99 4.00 2 P C C 54.01 13.62 11.73 25.50 113.15 -106.11 -65.87 144.63 77.19 20.57 2.24 73.34 2.40 1.15 1.60 0.63 0.00 14.34 6.54 3 T C C 47.48 10.32 13.09 24.45 115.74 -119.33 -79.40 155.59 89.29 2.71 8.00 83.84 3.54 1.75 7.14 1.03 0.00 1.09 1.61 4 R H H 162.19 2.53 15.89 19.11 93.24 -110.73 -63.03 -32.08 24.94 1.13 73.93 8.39 5.52 11.69 53.11 20.10 0.12 0.67 0.39 5 I H H 80.53 6.73 13.76 21.75 92.93 56.57 -67.73 -33.44 22.53 1.68 75.78 7.73 4.03 10.80 54.04 21.65 0.13 1.18 0.44 6 L H H 51.81 12.98 11.71 24.95 95.02 50.37 -75.36 -27.21 20.31 2.25 77.44 8.28 3.93 8.55 53.93 23.04 0.14 1.55 0.57 7 Q H H 99.93 5.82 14.15 21.14 99.76 60.95 -77.32 -19.13 35.89 3.22 60.88 13.88 7.97 16.13 47.35 11.13 0.38 1.87 1.31 8 G C H 42.27 4.11 13.65 18.80 100.11 50.63 -50.96 -25.67 58.97 2.11 38.92 20.35 11.62 28.40 29.12 8.33 0.12 1.02 1.05 9 L C T 94.90 5.59 11.57 18.51 98.04 64.91 -73.34 -28.52 60.42 1.70 37.88 22.42 13.62 24.66 21.86 15.60 0.09 0.79 0.96 10 K C T 136.30 3.21 13.43 17.79 95.90 66.64 -69.30 -22.70 58.43 2.42 39.16 21.89 12.40 24.42 18.87 19.93 0.10 1.25 1.14 11 Y C C 113.49 8.15 11.42 20.64 100.54 58.33 -88.14 1.12 52.38 5.24 42.38 27.27 10.33 15.55 17.94 23.90 0.10 3.05 1.86 12 R C C 138.56 6.28 12.88 20.49 97.89 91.57 -73.11 -17.76 54.76 6.60 38.64 25.44 11.74 18.58 16.09 21.82 0.12 4.22 1.98 13 K C C 132.86 4.78 14.48 20.26 101.84 55.19 -93.81 5.50 56.30 10.41 33.28 24.23 14.74 19.36 12.33 19.42 0.19 7.22 2.52 14 L C C 67.12 10.80 13.25 25.02 116.98 113.99 -90.23 135.04 62.42 18.61 18.96 37.48 19.40 6.94 9.14 9.44 0.16 13.00 4.45 15 R C C 137.71 5.87 19.16 26.02 115.28 -123.59 -79.31 137.85 60.13 31.36 8.51 50.94 4.83 2.30 6.38 2.56 0.03 18.91 14.06 16 L C C 35.46 19.06 12.63 31.20 114.13 -126.04 -85.94 131.17 75.43 18.92 5.65 66.66 5.76 1.78 4.38 1.67 0.01 10.56 9.18 17 T C C 44.83 7.88 19.38 28.21 126.44 -160.92 -102.16 164.61 82.86 12.12 5.01 70.77 8.62 1.97 4.03 1.36 0.00 5.43 7.82 18 T C G 70.22 9.01 14.61 24.64 92.50 -105.30 -65.24 -28.43 48.84 3.60 47.55 11.65 12.11 26.13 19.59 26.43 0.32 1.99 1.78 19 K C T 121.46 3.99 15.88 20.80 93.22 61.11 -69.59 -27.18 51.36 2.41 46.23 7.50 10.76 32.76 18.08 27.83 0.35 1.34 1.38 20 D C T 58.64 10.10 12.77 23.77 98.36 51.55 -85.30 -17.09 50.56 4.42 45.02 11.97 12.99 26.80 16.69 26.54 0.39 2.40 2.22 21 V C T 61.07 10.67 11.51 22.78 102.27 50.53 -84.98 -25.51 69.27 5.55 25.18 13.95 20.43 35.56 13.05 10.60 0.38 2.67 3.35 22 N C T 114.65 3.11 14.12 18.04 99.14 9.30 -64.40 15.90 81.44 2.59 15.96 15.66 19.21 46.83 5.53 9.91 0.04 1.38 1.44 23 K C T 139.88 3.47 14.01 18.71 99.52 40.56 -80.62 27.30 83.77 2.89 13.34 13.30 22.19 48.59 3.03 9.77 0.02 1.57 1.52 24 G C T 42.10 6.23 15.43 22.71 101.30 -88.22 81.71 10.83 86.97 7.55 5.49 31.24 21.83 34.96 1.03 4.24 0.01 4.88 1.81 25 F C C 64.75 13.09 13.29 27.09 118.92 142.07 -94.34 139.75 72.47 25.43 2.10 53.32 14.14 3.97 0.80 1.52 0.01 15.97 10.27 26 Y C C 87.25 11.30 16.65 28.72 118.86 -149.45 -103.54 135.45 68.72 30.10 1.19 58.88 6.24 1.78 0.56 0.75 0.00 19.57 12.22 27 K C C 99.03 10.51 17.08 28.00 109.92 -136.31 -85.58 134.88 82.11 16.48 1.41 65.18 10.83 5.44 0.45 1.08 0.00 12.20 4.82 28 G C C 30.87 12.39 13.95 26.11 119.74 -131.18 -82.61 171.86 87.27 10.89 1.84 44.50 29.59 14.01 0.39 1.58 0.00 6.70 3.22 29 N C C 100.48 5.77 16.24 22.87 104.08 -119.31 -99.25 16.45 87.67 10.09 2.24 39.78 35.55 13.00 0.47 1.91 0.00 5.92 3.37 30 R C C 152.27 5.69 14.98 22.02 99.94 -110.75 45.52 29.23 87.70 10.27 2.03 41.41 35.65 11.23 0.40 1.80 0.00 6.10 3.41 31 T C C 71.74 8.63 13.07 22.74 115.10 123.92 -96.67 137.05 84.87 13.09 2.05 59.34 18.15 7.11 0.53 1.73 0.00 7.16 5.99 32 G C C 36.37 7.24 16.01 24.11 125.91 52.81 -118.19 176.60 84.38 13.54 2.09 52.33 25.13 7.24 0.48 1.81 0.00 7.77 5.24 33 S C C 64.50 7.85 18.29 26.67 114.42 -78.47 -83.13 144.19 88.13 10.17 1.70 64.18 18.81 5.15 0.32 1.55 0.00 7.50 2.47 34 M C C 67.07 14.07 16.72 30.49 107.90 -136.08 -88.49 92.82 83.52 15.74 0.74 61.31 19.68 2.34 0.15 0.63 0.00 14.16 1.73 35 G E E 14.35 15.92 14.68 30.31 133.45 -120.55 -159.86 174.12 27.07 72.80 0.13 22.34 3.99 0.50 0.02 0.12 0.00 72.38 0.66 36 T E E 64.32 6.56 19.80 27.48 130.45 -125.86 -129.39 152.58 2.29 97.67 0.04 2.02 0.17 0.04 0.01 0.02 0.00 97.52 0.21 37 H E E 101.06 8.89 12.88 23.19 114.91 -119.98 -89.52 129.91 1.78 98.21 0.01 1.74 0.06 0.00 0.00 0.00 0.00 96.32 1.86 38 T C C 45.43 7.62 9.52 19.17 123.60 -143.25 -86.79 172.31 93.21 6.73 0.06 93.18 0.57 0.11 0.01 0.03 0.00 5.41 0.70 39 S C T 104.04 0.60 10.72 10.98 90.46 -94.31 -64.01 -22.07 98.86 0.49 0.66 0.55 4.54 93.80 0.02 0.67 0.00 0.34 0.08 40 Y C T 175.46 1.16 11.02 12.22 94.04 55.88 -89.79 1.89 99.19 0.12 0.69 0.32 3.92 94.95 0.02 0.69 0.00 0.07 0.03 41 G C S 38.54 5.77 11.56 19.11 98.63 -102.02 88.08 5.02 98.81 0.52 0.67 13.90 83.17 1.93 0.06 0.47 0.00 0.24 0.23 42 T C C 60.39 5.12 15.09 21.62 122.91 131.39 -86.95 154.72 95.44 4.52 0.04 92.94 2.91 0.12 0.01 0.02 0.00 3.08 0.92 43 Y E E 62.38 15.92 12.15 28.23 118.77 -119.20 -94.15 136.82 1.30 98.70 0.00 1.34 0.04 0.00 0.00 0.00 0.00 96.97 1.65 44 K E E 89.63 7.11 20.38 28.49 126.79 -171.57 -127.32 141.44 1.32 98.68 0.00 1.28 0.06 0.00 0.00 0.00 0.00 98.60 0.06 45 I E E 56.06 16.65 13.79 30.25 112.97 -116.36 -77.80 130.89 7.42 92.57 0.01 7.33 0.28 0.02 0.00 0.01 0.00 91.18 1.17 46 D C C 47.74 8.67 16.90 27.47 108.10 -150.19 -102.80 104.72 89.80 9.98 0.22 89.09 0.93 0.16 0.04 0.15 0.00 9.20 0.43 47 Y H G 108.61 12.01 13.31 26.16 93.01 -170.34 -66.45 -25.09 18.60 1.05 80.35 4.14 2.38 10.69 1.36 80.42 0.00 0.95 0.06 48 T H G 103.64 2.19 18.54 21.06 90.66 65.74 -70.21 -16.76 19.43 0.50 80.06 0.82 1.61 17.00 0.95 79.19 0.00 0.38 0.04 49 K H G 70.80 11.86 15.05 27.76 95.52 55.60 -90.56 -6.20 19.41 0.76 79.83 1.41 2.19 15.46 1.12 79.12 0.00 0.63 0.07 50 V C C 28.19 18.50 12.11 30.61 114.98 90.91 -94.49 124.59 76.22 22.28 1.51 53.35 21.55 0.87 0.89 0.63 0.01 7.01 15.69 51 R C C 112.25 8.39 20.04 28.82 99.95 -174.01 -87.78 -26.35 88.95 10.34 0.71 62.30 24.57 2.26 0.24 0.53 0.00 7.94 2.15 52 T C C 56.69 9.41 20.36 30.34 132.80 18.29 -136.55 146.83 74.86 24.16 0.99 46.67 25.74 3.29 0.29 0.80 0.00 19.07 4.13 53 Y C C 56.41 18.73 15.60 33.70 118.51 -148.40 -105.10 129.50 58.39 40.97 0.64 47.30 8.65 1.28 0.30 0.47 0.00 31.98 10.01 54 V C C 62.89 9.49 20.40 30.55 116.89 -157.14 -107.63 124.12 63.91 35.82 0.27 56.06 6.59 0.64 0.12 0.20 0.00 26.49 9.88 55 C C C 36.59 16.17 14.37 30.52 120.47 -159.87 -106.05 135.53 91.30 8.56 0.14 85.06 6.08 0.35 0.05 0.09 0.00 6.80 1.56 56 P C C 52.71 10.48 14.85 26.42 113.98 -110.55 -68.07 151.86 93.17 2.64 4.19 66.40 11.79 14.45 0.60 4.13 0.00 1.83 0.78 57 D C C 102.21 3.45 17.43 21.61 106.31 -97.75 -78.78 112.58 92.29 2.56 5.15 59.49 14.37 17.88 0.76 4.92 0.00 1.36 1.23 58 L C C 60.64 14.48 9.04 23.24 98.95 164.23 -93.77 4.68 86.99 4.21 8.80 67.02 10.67 7.75 1.49 8.29 0.00 1.95 2.84 59 T C T 105.77 2.15 12.76 16.38 108.87 120.72 -70.64 119.79 92.39 2.23 5.38 13.71 13.70 64.47 0.83 4.86 0.00 1.27 1.15 60 G C T 64.31 0.88 14.68 14.41 97.24 13.79 81.41 1.22 94.84 1.13 4.02 10.54 16.50 67.30 0.40 4.10 0.00 0.75 0.40 61 F C C 64.36 14.78 7.68 21.77 118.70 118.12 -94.33 139.88 92.71 5.27 2.02 74.54 15.31 2.39 0.41 1.87 0.00 3.06 2.42 62 K C C 158.14 1.56 19.52 20.37 106.48 -151.25 -97.65 86.42 85.39 13.94 0.67 79.86 4.23 1.04 0.25 0.42 0.00 7.06 7.14 63 L C C 45.93 18.44 11.19 28.81 117.08 -150.39 -91.03 135.94 86.78 12.70 0.52 79.47 6.24 0.70 0.22 0.31 0.00 6.17 6.88 64 T C C 61.51 8.47 21.08 29.89 126.52 -166.14 -114.11 148.55 94.49 4.32 1.19 88.07 5.22 1.27 0.43 0.71 0.00 2.49 1.82 65 P C T 46.95 15.63 18.96 33.73 108.33 -90.38 -68.41 142.83 83.09 4.50 12.41 23.63 21.17 38.94 2.41 9.60 0.06 2.64 1.54 66 F C T 62.82 16.54 20.19 35.38 104.53 55.74 -89.32 73.26 75.67 11.84 12.49 22.65 18.79 35.53 2.92 8.91 0.16 6.96 4.07 67 V C C 32.74 17.17 17.56 34.60 119.79 127.06 -106.72 133.84 66.06 25.15 8.79 38.87 19.51 6.60 4.24 4.73 0.16 11.38 14.51 68 S C C 25.52 13.12 17.27 31.07 130.46 -144.05 -120.72 160.96 82.36 14.13 3.51 70.11 7.76 3.16 1.55 2.05 0.00 7.48 7.89 69 K C T 133.06 6.71 16.16 23.96 92.53 -114.25 -68.57 -18.39 94.68 2.48 2.84 6.71 21.17 67.02 0.56 2.08 0.00 1.65 0.79 70 T C T 96.22 2.86 17.75 20.97 95.69 59.85 -91.53 -1.17 96.21 1.80 1.99 10.49 19.43 66.35 0.32 1.66 0.00 1.25 0.50 71 I C C 43.57 17.48 8.69 25.37 116.39 105.66 -81.88 135.37 94.69 4.70 0.60 60.37 33.75 0.90 0.22 0.35 0.00 1.74 2.68 72 R C C 156.69 2.50 18.17 21.13 116.16 -124.06 -83.18 141.21 95.85 3.95 0.20 90.05 5.65 0.33 0.07 0.12 0.00 2.29 1.48 73 P C C 84.13 8.28 13.02 22.53 113.53 -104.42 -65.04 143.88 91.22 8.18 0.59 88.16 2.68 0.63 0.19 0.35 0.00 4.22 3.77 74 V C C 60.71 11.88 10.64 23.20 116.04 -136.05 -94.82 133.40 89.56 9.25 1.20 84.51 3.74 1.01 0.47 0.66 0.00 4.62 5.00 75 H C C 144.43 2.96 14.15 18.29 109.30 -155.35 -98.16 113.40 89.27 7.97 2.76 68.04 15.69 5.11 0.87 2.05 0.00 4.42 3.83 76 D C C 85.32 6.73 12.49 20.49 120.18 124.43 -109.52 143.97 89.46 7.10 3.44 53.63 26.40 9.36 0.82 2.88 0.00 4.25 2.66 77 Q C C 120.98 4.38 14.32 20.12 115.41 -126.12 -100.44 129.87 88.43 8.20 3.37 66.88 15.58 5.27 0.99 2.59 0.00 4.39 4.31 78 F C C 69.70 13.21 8.56 21.81 112.30 -135.21 -89.45 122.97 90.49 6.42 3.09 70.53 14.66 4.43 1.02 2.14 0.00 2.85 4.37 79 P C T 101.08 3.10 13.04 17.45 108.43 -125.01 -69.24 132.65 93.11 2.13 4.77 22.34 13.44 57.28 0.96 3.75 0.00 1.19 1.04 80 G C T 60.03 1.75 12.98 15.10 101.01 16.08 83.76 -1.44 92.57 1.54 5.88 15.64 18.64 58.12 1.07 4.89 0.00 0.87 0.78 81 D C C 68.29 8.65 8.48 18.25 117.42 114.98 -90.21 144.70 84.41 7.02 8.57 46.97 27.07 10.06 2.21 6.16 0.01 2.86 4.67 82 K C T 166.36 1.38 13.09 14.82 96.06 -130.19 -71.78 -19.70 83.79 4.20 12.01 22.86 23.06 38.71 2.19 9.10 0.02 2.18 1.88 83 L C T 106.95 4.64 12.47 18.32 100.05 58.07 -89.38 -2.14 83.03 4.66 12.32 19.00 24.98 39.79 2.10 9.52 0.03 2.40 2.16 84 G C S 26.68 8.37 14.52 24.06 127.47 -117.07 100.62 -176.67 88.70 5.30 6.00 26.97 46.58 15.36 0.93 5.00 0.01 2.86 2.30 85 P C C 68.85 8.44 15.52 24.94 110.40 -18.22 -70.04 136.53 88.65 7.04 4.30 53.72 21.53 13.42 0.78 3.92 0.01 4.22 2.39 86 K C C 86.41 12.24 16.04 28.43 108.83 -149.52 -97.11 87.48 74.96 22.76 2.28 59.94 10.02 2.02 1.03 1.23 0.00 7.11 18.63 87 N C C 57.40 8.16 21.31 29.83 124.60 -136.94 -95.48 161.12 96.74 2.68 0.58 89.99 6.47 0.30 0.45 0.13 0.00 0.92 1.73 88 P H H 29.07 18.86 15.17 33.98 91.94 -110.80 -59.84 -36.05 6.83 0.03 93.15 0.87 0.94 4.85 92.57 0.73 0.01 0.01 0.01 89 A H H 56.10 7.29 20.31 28.10 91.65 55.04 -63.94 -41.09 3.40 0.01 96.59 0.33 0.27 2.69 96.05 0.64 0.01 0.01 0.00 90 T H H 55.36 4.88 21.29 26.58 91.83 49.13 -65.18 -41.51 0.74 0.00 99.25 0.14 0.07 0.48 98.94 0.37 0.00 0.00 0.00 91 Y H H 28.02 16.36 17.82 34.83 91.88 50.30 -63.68 -43.78 0.10 0.00 99.90 0.01 0.01 0.06 99.87 0.05 0.00 0.00 0.00 92 L H H 30.07 16.13 18.16 34.40 91.74 49.87 -64.05 -41.95 0.07 0.00 99.93 0.01 0.01 0.05 99.91 0.02 0.00 0.00 0.00 93 A H H 55.31 3.60 21.38 24.84 91.51 50.98 -63.71 -41.89 0.07 0.00 99.93 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 94 R H H 103.92 5.28 20.34 25.97 91.81 49.38 -64.93 -41.75 0.11 0.00 99.89 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 95 W H H 35.25 15.31 15.13 31.43 92.14 49.17 -64.61 -42.89 0.18 0.00 99.82 0.01 0.01 0.14 99.79 0.04 0.00 0.00 0.00 96 K H H 78.18 9.29 14.70 25.12 91.83 50.52 -63.43 -41.30 0.37 0.00 99.63 0.03 0.02 0.29 99.56 0.10 0.00 0.00 0.00 97 S H H 82.93 1.17 16.56 16.53 92.28 49.42 -66.40 -37.78 1.68 0.00 98.32 0.09 0.08 1.46 98.09 0.26 0.00 0.00 0.00 98 E H H 112.35 4.09 14.09 19.13 94.87 48.05 -74.31 -31.54 8.53 0.02 91.44 0.29 0.42 8.07 90.65 0.53 0.02 0.01 0.01 99 N H H 74.60 7.83 11.72 20.76 100.26 29.44 -101.77 -2.88 34.55 0.31 65.15 3.05 4.59 26.58 64.49 0.89 0.10 0.09 0.21 100 G C C 47.63 4.07 12.17 17.72 101.07 -121.15 73.75 9.43 93.38 2.64 3.98 41.29 22.83 30.02 1.44 2.07 0.00 1.33 1.02 101 L C C 99.64 5.59 9.66 16.92 110.35 107.04 -91.03 114.44 90.12 7.13 2.76 74.57 5.80 9.49 1.04 1.55 0.00 4.04 3.50 102 D C C 103.38 3.87 12.81 18.06 107.09 -155.39 -87.87 95.85 99.56 0.37 0.07 99.21 0.30 0.15 0.03 0.02 0.00 0.24 0.06