# 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 S C C 75.63 4.20 13.34 18.90 114.44 -147.24 -92.88 133.50 99.83 0.14 0.03 99.75 0.10 0.05 0.01 0.00 0.00 0.07 0.02 1 L C C 110.25 5.41 9.13 16.19 110.33 -149.79 -89.47 119.96 87.58 4.86 7.56 78.69 2.30 7.25 2.55 4.11 0.00 3.33 1.78 2 K C C 137.12 3.77 10.35 15.99 113.75 -146.59 -90.45 131.05 82.96 10.16 6.88 53.26 15.80 14.07 1.62 5.38 0.00 7.06 2.80 3 K C C 147.59 2.99 12.18 17.03 114.65 -148.61 -96.18 130.54 79.38 13.14 7.48 43.14 23.46 14.02 1.79 5.53 0.02 8.45 3.61 4 G C C 35.20 7.40 13.82 22.37 127.73 6.09 136.56 -177.96 86.62 11.43 1.95 44.40 34.92 8.03 0.40 1.58 0.00 9.00 1.66 5 V C C 73.40 10.12 15.64 26.24 110.11 -55.58 -80.38 127.55 81.61 16.76 1.63 48.03 27.10 6.86 0.30 1.37 0.00 14.93 1.40 6 F E E 78.90 12.42 17.20 29.93 120.39 -139.99 -105.98 131.08 34.13 65.00 0.87 26.27 4.91 1.57 0.39 0.62 0.00 55.08 11.15 7 V E E 39.64 16.69 15.19 31.72 125.97 -169.02 -120.96 138.72 36.77 62.96 0.27 33.78 2.01 0.23 0.16 0.14 0.00 50.00 13.69 8 D C C 51.30 10.70 16.41 28.22 110.11 -115.19 -77.45 129.27 94.07 5.53 0.41 93.36 1.13 0.19 0.26 0.08 0.00 4.59 0.39 9 D H H 97.56 4.73 16.39 22.71 93.13 -142.86 -63.87 -29.94 15.94 0.07 83.99 1.99 1.51 12.25 80.96 3.20 0.02 0.04 0.04 10 H H H 108.22 3.32 18.88 22.32 91.89 58.49 -65.71 -37.54 8.82 0.03 91.15 1.00 0.62 6.95 87.92 3.47 0.01 0.01 0.02 11 L H H 16.36 17.41 14.76 32.72 92.35 51.16 -64.75 -41.85 2.08 0.02 97.90 0.57 0.22 1.23 94.71 3.24 0.00 0.01 0.01 12 L H H 42.03 13.50 16.73 30.80 91.75 51.33 -63.46 -41.64 0.93 0.01 99.06 0.30 0.09 0.50 98.42 0.68 0.00 0.00 0.00 13 E H H 110.22 1.86 22.49 22.50 91.68 50.94 -64.26 -41.48 0.46 0.00 99.54 0.11 0.03 0.26 99.44 0.16 0.00 0.00 0.00 14 K H H 86.85 6.79 20.38 27.74 91.81 49.60 -64.89 -41.31 0.38 0.00 99.62 0.07 0.03 0.23 99.59 0.08 0.00 0.00 0.00 15 V H H 12.55 19.13 14.73 34.26 91.83 50.15 -64.17 -42.89 0.18 0.00 99.82 0.03 0.01 0.10 99.82 0.04 0.00 0.00 0.00 16 L H H 78.52 5.00 19.91 25.53 91.51 50.62 -63.39 -41.42 0.17 0.00 99.83 0.02 0.01 0.10 99.84 0.04 0.00 0.00 0.00 17 E H H 100.64 1.92 20.03 20.53 91.91 49.98 -64.53 -41.72 0.32 0.00 99.68 0.03 0.02 0.21 99.67 0.07 0.00 0.00 0.00 18 L H H 26.72 10.33 12.88 25.52 91.71 50.37 -64.27 -41.25 0.73 0.00 99.26 0.09 0.05 0.49 99.22 0.15 0.00 0.00 0.00 19 N H H 75.11 8.53 12.54 22.21 92.22 51.85 -64.80 -39.21 2.54 0.01 97.45 0.28 0.15 1.87 97.30 0.39 0.00 0.00 0.00 20 A H H 90.99 0.97 13.96 14.30 91.32 52.88 -66.93 -28.86 11.23 0.03 88.74 0.50 0.55 9.98 88.27 0.66 0.02 0.01 0.01 21 K C T 142.86 1.51 12.49 14.09 94.56 50.07 -87.28 -0.45 67.07 0.10 32.83 1.28 3.10 60.46 33.84 1.20 0.01 0.03 0.08 22 G C T 60.23 1.43 12.43 14.58 95.28 -111.86 78.02 13.87 99.21 0.05 0.74 7.18 5.56 86.65 0.36 0.20 0.00 0.03 0.02 23 E C C 99.85 5.09 11.05 18.13 117.00 136.11 -93.28 137.53 98.68 0.51 0.81 86.90 9.53 2.20 0.25 0.55 0.00 0.24 0.32 24 K C C 136.13 5.45 13.69 20.97 106.72 -142.92 -87.60 84.91 98.46 0.85 0.69 86.71 9.19 2.53 0.14 0.61 0.00 0.55 0.26 25 R C C 114.73 7.02 17.51 25.70 125.45 125.41 -107.43 144.41 93.63 6.04 0.33 75.48 16.86 1.18 0.06 0.31 0.00 5.48 0.63 26 L C C 65.56 12.95 17.05 30.25 116.71 -121.00 -87.20 134.73 58.94 40.93 0.13 53.07 4.56 0.27 0.03 0.10 0.00 41.08 0.90 27 I E E 21.81 20.21 15.39 35.91 118.14 -147.66 -104.18 130.18 12.33 87.64 0.03 12.09 0.35 0.03 0.02 0.01 0.00 85.66 1.84 28 K E E 108.54 7.33 23.41 31.51 116.36 -144.51 -95.89 130.32 10.34 89.63 0.02 10.11 0.35 0.03 0.01 0.01 0.00 88.72 0.78 29 T E E 22.92 20.97 13.44 33.75 128.37 -169.37 -121.82 143.07 41.39 58.51 0.10 39.17 1.44 0.16 0.03 0.06 0.00 57.75 1.39 30 W C C 136.64 6.66 21.18 28.43 100.10 -160.90 -96.45 -10.91 78.86 20.76 0.38 41.81 35.07 2.57 0.06 0.36 0.00 18.91 1.23 31 S C C 31.92 12.95 16.46 30.10 127.20 60.38 -121.26 145.22 89.54 9.29 1.17 54.66 29.72 5.33 0.16 1.29 0.00 7.34 1.49 32 R C S 129.04 10.11 17.55 28.10 98.34 -160.55 -86.89 -13.06 91.89 5.97 2.14 18.10 43.05 30.80 0.16 2.37 0.00 4.59 0.94 33 R C S 152.31 3.47 21.53 25.38 104.61 50.16 -95.57 56.92 88.87 9.32 1.81 26.56 33.83 28.53 0.10 2.19 0.00 7.97 0.81 34 S C C 17.22 19.59 13.55 32.82 126.09 141.86 -99.58 154.49 76.22 23.16 0.62 65.68 8.60 0.91 0.07 0.59 0.00 23.27 0.88 35 T E E 60.94 7.49 25.27 33.52 120.71 -134.01 -108.43 137.40 13.32 86.64 0.04 12.19 0.91 0.06 0.03 0.03 0.00 81.05 5.74 36 I E E 17.67 23.54 15.38 39.17 117.18 -152.35 -103.77 127.68 15.02 84.97 0.01 15.03 0.35 0.01 0.01 0.01 0.00 74.45 10.15 37 V C C 38.14 10.65 20.29 32.15 114.07 -142.68 -86.30 131.46 98.81 1.18 0.01 98.94 0.20 0.01 0.00 0.00 0.00 0.80 0.05 38 P H G 69.08 10.30 16.69 27.95 91.24 -121.80 -57.96 -32.69 7.81 0.07 92.12 0.57 0.57 5.38 0.99 92.43 0.00 0.06 0.00 39 E H G 124.13 3.90 20.84 25.65 89.32 64.67 -67.55 -16.46 6.66 0.04 93.30 0.18 0.34 5.37 0.75 93.32 0.00 0.03 0.00 40 M H G 12.17 21.91 13.89 36.41 93.93 56.96 -93.22 -6.89 7.10 0.06 92.84 0.61 0.59 4.40 0.73 93.62 0.00 0.04 0.00 41 V C T 54.17 14.69 15.40 30.56 112.38 115.01 -61.94 132.52 97.20 1.19 1.61 0.65 1.39 95.92 0.21 0.69 0.00 0.38 0.76 42 G C T 46.42 3.60 21.93 26.19 94.14 22.18 85.55 -4.27 99.58 0.21 0.21 0.29 1.88 97.53 0.01 0.13 0.00 0.15 0.01 43 H C C 44.55 15.85 16.18 32.40 122.67 123.10 -85.92 152.20 96.03 3.94 0.03 88.07 7.64 0.13 0.00 0.02 0.00 4.01 0.13 44 T E E 46.26 10.45 24.32 35.47 117.79 -130.88 -104.13 130.91 1.56 98.44 0.00 1.57 0.05 0.00 0.00 0.00 0.00 98.16 0.22 45 I E E 4.37 25.20 18.09 43.99 125.07 -169.68 -120.48 137.79 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 46 A E E 17.37 12.78 25.79 39.61 117.43 -142.27 -100.02 131.50 0.09 99.91 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.90 0.00 47 V E E 6.74 22.44 19.14 42.01 120.33 -164.12 -114.94 129.69 0.36 99.64 0.00 0.32 0.01 0.00 0.00 0.00 0.00 99.65 0.01 48 Y E E 50.55 12.42 19.01 32.67 115.28 -155.42 -105.03 122.64 7.13 92.82 0.05 5.63 0.97 0.18 0.01 0.04 0.00 93.00 0.18 49 N E E 63.34 9.11 16.75 27.34 102.15 176.71 -109.05 26.12 41.43 57.59 0.98 23.70 11.20 7.58 0.09 1.02 0.00 55.70 0.71 50 G C T 44.45 6.03 14.93 21.76 98.84 -89.02 75.91 -11.50 98.37 0.51 1.11 2.49 31.02 64.68 0.03 1.32 0.00 0.34 0.11 51 K C T 158.03 1.43 15.11 16.38 103.41 35.69 -100.52 -22.46 98.40 0.70 0.89 2.67 36.52 59.17 0.03 1.00 0.00 0.48 0.12 52 Q E E 117.40 2.15 16.92 19.32 127.88 32.02 -127.72 147.91 28.97 70.91 0.13 19.60 9.10 0.94 0.02 0.12 0.00 69.53 0.69 53 H E E 89.43 14.44 11.47 25.55 118.98 -127.95 -96.99 133.85 8.02 91.97 0.01 7.24 0.40 0.03 0.00 0.00 0.00 92.02 0.30 54 V E E 47.68 9.74 18.16 29.55 120.37 -167.87 -122.44 126.37 2.81 97.19 0.00 2.52 0.09 0.00 0.00 0.00 0.00 97.36 0.03 55 P E E 73.50 8.37 20.26 29.21 114.73 -120.16 -69.55 140.29 1.95 98.05 0.00 1.82 0.03 0.00 0.00 0.00 0.00 98.14 0.01 56 V E E 14.30 21.51 15.06 36.49 127.53 -173.69 -127.18 139.96 0.73 99.27 0.00 0.72 0.01 0.00 0.00 0.00 0.00 99.25 0.02 57 Y E E 108.13 6.87 25.57 32.93 116.08 -135.69 -98.10 130.25 1.29 98.70 0.00 1.27 0.02 0.00 0.00 0.00 0.00 98.63 0.07 58 I E E 8.16 25.00 12.81 38.46 114.61 -145.89 -95.95 126.14 25.67 74.32 0.01 26.04 0.24 0.01 0.01 0.00 0.00 73.16 0.53 59 T C C 48.00 5.78 22.88 28.82 132.61 172.96 -126.29 169.79 93.54 6.38 0.08 92.76 1.30 0.07 0.02 0.04 0.00 5.47 0.34 60 E H G 119.06 8.48 14.83 24.54 90.66 -100.22 -59.26 -32.07 12.27 0.10 87.63 0.58 1.11 9.42 1.51 87.29 0.00 0.07 0.01 61 N H G 126.29 1.27 19.51 19.89 89.75 61.36 -69.56 -18.73 11.64 0.07 88.30 0.34 0.69 9.63 1.45 87.83 0.00 0.05 0.00 62 M H G 25.74 18.55 12.88 31.75 95.55 52.63 -96.68 -5.47 12.76 0.21 87.03 1.39 1.44 8.66 1.78 86.57 0.00 0.14 0.03 63 V C T 50.20 16.08 13.46 29.67 112.61 113.86 -63.77 134.42 90.53 5.55 3.93 4.70 5.52 80.92 1.49 1.92 0.02 2.83 2.59 64 G C T 45.98 4.75 20.77 26.42 95.14 21.71 83.14 -3.92 96.39 1.27 2.33 3.70 7.41 85.44 0.62 1.58 0.00 0.92 0.33 65 H C C 68.36 11.93 16.38 28.94 121.73 123.99 -88.74 152.99 88.83 5.22 5.94 69.01 14.74 4.42 3.08 2.90 0.00 2.39 3.46 66 K C C 96.84 7.99 21.83 29.99 115.15 -110.36 -78.02 146.54 56.02 27.57 16.41 32.37 12.56 9.40 8.22 7.10 0.20 7.69 22.48 67 L H G 34.91 20.89 14.73 34.81 98.67 -103.76 -63.69 -24.31 39.83 3.19 56.98 7.72 8.33 24.16 13.10 43.10 0.28 1.95 1.36 68 G H G 31.47 11.66 18.37 29.94 95.23 47.08 35.98 -13.17 31.00 1.36 67.64 6.03 5.13 19.91 12.79 54.72 0.06 0.80 0.55 69 E H G 110.17 5.65 19.63 26.05 93.17 74.21 -74.73 -22.16 33.34 2.04 64.62 7.71 6.88 18.99 12.15 52.12 0.10 1.26 0.79 70 F C G 82.07 12.34 15.31 28.04 100.91 40.80 -101.55 -4.27 50.57 7.24 42.20 15.18 13.50 23.51 11.34 28.91 0.47 3.37 3.73 71 A C S 32.93 15.21 11.95 27.20 119.62 97.60 -92.48 139.41 92.35 5.45 2.21 44.86 45.94 2.08 1.15 0.92 0.00 2.84 2.21 72 P C C 80.44 5.90 15.32 22.41 112.29 -106.92 -68.28 146.15 90.76 5.50 3.74 75.34 10.14 5.15 1.22 2.51 0.00 3.51 2.13 73 T C C 86.39 7.43 11.33 20.09 112.17 -141.68 -93.23 128.03 86.56 8.72 4.71 68.01 11.45 6.44 1.39 3.45 0.00 4.95 4.32 74 R C C 146.97 5.26 11.08 17.84 116.17 -154.86 -101.88 134.52 86.01 9.81 4.18 52.26 26.16 7.98 1.08 3.12 0.00 6.28 3.11 75 T C C 101.16 2.77 10.83 15.31 114.84 -148.02 -99.58 128.70 83.44 13.03 3.52 54.47 22.00 7.36 0.91 2.72 0.00 9.56 2.97 76 Y C C 146.46 5.54 7.76 15.06 115.05 -149.44 -96.25 130.10 81.81 15.92 2.27 67.20 9.56 4.25 0.83 1.53 0.00 11.42 5.22 77 R C C 179.61 1.72 9.38 12.65 114.34 -160.27 -101.69 127.67 91.18 7.99 0.84 87.79 1.43 2.42 0.32 0.34 0.00 5.66 2.04 78 G C C 54.64 2.60 12.21 16.01 114.65 -17.36 92.69 -27.71 99.82 0.17 0.01 99.59 0.21 0.08 0.00 0.00 0.00 0.11 0.01