# 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 75.73 4.18 13.52 19.08 114.77 -150.02 -94.28 134.05 99.85 0.13 0.02 99.79 0.08 0.04 0.01 0.00 0.00 0.06 0.02 1 L C C 110.88 5.50 9.38 16.49 111.05 -147.62 -88.95 119.43 88.12 5.00 6.88 79.38 2.29 6.84 1.68 4.68 0.00 3.57 1.55 2 K C C 135.68 3.99 10.72 16.57 115.17 -152.25 -92.47 132.10 81.36 12.38 6.27 54.49 14.66 12.10 1.13 5.46 0.00 9.20 2.96 3 K C C 144.03 3.61 12.48 18.08 116.37 -145.91 -99.45 131.80 77.87 16.83 5.30 49.51 20.38 8.16 1.24 4.23 0.01 10.93 5.54 4 G C C 31.80 8.53 12.60 22.23 132.08 -127.27 -158.55 176.62 87.82 11.44 0.74 48.57 35.71 4.20 0.15 0.66 0.00 8.85 1.86 5 P C C 80.60 7.03 16.69 24.47 102.91 -62.54 -72.11 52.35 88.83 10.38 0.79 41.81 36.66 10.65 0.10 0.80 0.00 9.04 0.94 6 F E E 79.08 13.32 15.66 28.94 113.60 62.21 -94.92 124.26 47.35 51.59 1.06 33.10 8.91 4.33 0.47 0.83 0.01 41.68 10.67 7 V E C 46.44 15.47 14.81 30.24 120.75 -159.13 -112.08 132.59 47.09 52.36 0.55 41.85 3.51 0.47 0.36 0.26 0.00 38.65 14.90 8 D C C 61.33 10.44 16.14 27.32 110.03 -127.94 -82.02 119.47 92.91 6.23 0.86 90.97 1.96 0.42 0.60 0.17 0.00 5.20 0.68 9 G H H 45.55 4.90 16.30 22.47 94.62 -146.47 -64.38 -32.10 18.00 0.07 81.93 2.31 2.31 13.24 79.78 2.26 0.03 0.03 0.04 10 H H H 113.67 3.14 18.91 22.08 92.36 58.33 -66.44 -36.72 9.54 0.04 90.42 1.11 0.83 7.50 88.25 2.24 0.02 0.02 0.02 11 L H H 16.83 17.80 14.50 32.62 92.57 51.83 -65.03 -42.06 2.10 0.03 97.87 0.58 0.23 1.25 96.12 1.78 0.00 0.02 0.01 12 M H H 50.65 12.88 16.74 30.25 91.73 51.49 -63.29 -41.54 0.65 0.01 99.34 0.20 0.06 0.33 99.03 0.37 0.00 0.00 0.00 13 T H H 75.70 1.93 21.98 22.07 91.52 50.17 -64.26 -41.85 0.47 0.00 99.52 0.12 0.04 0.25 99.46 0.14 0.00 0.00 0.00 14 K H H 82.61 7.30 19.96 27.93 91.82 49.46 -65.02 -41.42 0.44 0.00 99.55 0.09 0.03 0.25 99.52 0.10 0.00 0.00 0.00 15 I H H 14.96 19.23 14.46 34.00 91.96 50.21 -64.28 -42.62 0.36 0.00 99.64 0.06 0.02 0.20 99.61 0.09 0.00 0.00 0.00 16 E H H 93.96 4.78 19.75 25.11 91.62 51.12 -63.63 -41.11 0.69 0.00 99.31 0.13 0.04 0.39 99.28 0.15 0.00 0.00 0.00 17 K H H 112.42 1.94 19.84 20.49 92.05 50.12 -65.14 -40.75 2.08 0.01 97.90 0.26 0.13 1.47 97.71 0.40 0.00 0.00 0.00 18 L H H 29.99 11.05 12.79 25.83 92.49 50.70 -65.42 -39.33 4.97 0.05 94.98 0.80 0.48 3.47 94.44 0.77 0.01 0.02 0.02 19 N H H 73.74 8.75 12.71 22.51 93.16 53.68 -66.75 -35.69 17.12 0.14 82.73 3.06 1.53 11.80 82.36 1.11 0.02 0.06 0.06 20 E H H 146.21 1.12 14.12 14.73 92.83 54.56 -70.17 -28.16 36.50 0.33 63.17 5.90 4.74 25.46 61.85 1.69 0.05 0.12 0.18 21 T C T 87.98 2.54 11.76 15.15 100.74 48.70 -90.93 0.88 73.17 0.50 26.34 9.45 17.24 44.55 25.88 2.32 0.02 0.17 0.36 22 D C T 124.03 1.68 12.32 15.18 95.79 -115.90 54.80 33.64 94.74 0.32 4.95 23.40 18.22 53.43 2.75 1.87 0.00 0.16 0.18 23 K C C 114.32 4.77 11.60 18.10 113.81 134.91 -98.28 126.81 96.08 0.86 3.06 62.54 21.51 12.00 0.87 2.20 0.00 0.43 0.44 24 K C C 128.46 6.30 13.14 21.10 112.06 -141.73 -85.10 123.27 95.81 2.09 2.10 77.26 12.26 6.20 0.42 1.83 0.00 1.53 0.49 25 Q C C 86.29 8.20 16.75 25.96 123.71 113.03 -106.68 144.32 87.38 11.80 0.82 63.70 21.28 2.12 0.17 0.66 0.00 11.15 0.93 26 V C C 60.96 12.01 17.58 30.10 116.74 -124.02 -93.20 132.19 55.24 44.52 0.24 50.16 3.84 0.36 0.06 0.15 0.00 44.55 0.88 27 V E E 20.02 19.96 15.51 35.77 118.87 -154.40 -105.54 131.26 16.67 83.28 0.05 16.13 0.59 0.05 0.03 0.02 0.00 82.21 0.97 28 K E E 103.65 8.09 23.50 32.23 115.98 -144.01 -95.53 130.56 9.80 90.17 0.03 9.40 0.39 0.04 0.01 0.01 0.00 89.51 0.64 29 T E E 22.32 21.06 14.86 35.33 127.67 -171.25 -120.40 144.11 26.62 73.30 0.08 24.99 1.19 0.12 0.02 0.05 0.00 72.37 1.26 30 W C C 120.55 8.56 21.85 30.78 104.27 -166.93 -99.00 -9.14 62.27 37.48 0.25 40.83 20.94 1.24 0.05 0.22 0.00 35.28 1.44 31 S C C 29.07 13.74 17.23 31.47 125.60 62.31 -119.53 145.26 81.72 17.27 1.00 62.96 15.98 2.61 0.15 1.07 0.00 15.81 1.41 32 R C T 122.37 10.62 18.16 28.95 99.29 -159.71 -86.18 -17.41 86.32 11.54 2.14 10.80 37.53 38.28 0.12 2.31 0.00 10.04 0.91 33 R C T 148.23 3.85 21.85 26.13 103.85 50.17 -102.28 54.95 84.28 13.76 1.96 16.25 32.03 35.84 0.08 2.33 0.00 12.77 0.70 34 S C C 16.23 20.24 13.51 33.38 125.31 139.16 -96.36 152.51 75.05 24.24 0.71 66.69 6.70 0.59 0.06 0.64 0.00 24.65 0.67 35 T E E 60.86 7.72 25.28 33.69 120.76 -139.25 -109.54 135.48 11.94 88.02 0.04 11.00 0.74 0.05 0.02 0.02 0.00 82.37 5.79 36 I E E 17.47 23.40 15.47 39.00 117.43 -153.40 -104.25 127.99 15.05 84.94 0.01 14.91 0.36 0.01 0.00 0.00 0.00 76.21 8.51 37 F C C 57.50 10.37 19.83 31.33 114.37 -126.70 -76.75 138.03 98.80 1.19 0.01 98.94 0.20 0.01 0.00 0.00 0.00 0.81 0.05 38 P H G 69.68 9.99 16.41 27.49 90.85 -122.93 -58.47 -30.52 8.16 0.07 91.77 0.50 0.57 5.66 0.61 92.61 0.00 0.06 0.00 39 Q H G 117.07 3.99 20.52 25.36 89.33 64.93 -67.72 -17.46 6.98 0.04 92.98 0.16 0.33 5.65 0.46 93.37 0.00 0.03 0.00 40 F H G 14.83 21.52 13.59 35.71 94.40 56.35 -94.09 -6.39 7.63 0.06 92.30 0.64 0.64 4.66 0.54 93.47 0.00 0.04 0.00 41 I C T 62.53 14.51 15.09 30.11 112.71 114.88 -62.11 132.49 97.63 1.15 1.22 0.62 1.29 96.42 0.14 0.52 0.00 0.37 0.65 42 G C T 47.34 3.39 21.61 25.57 94.27 21.46 85.02 -4.09 99.62 0.21 0.17 0.26 1.79 97.69 0.01 0.10 0.00 0.15 0.01 43 H C C 48.95 15.19 16.03 31.63 122.84 124.27 -86.56 152.24 95.82 4.16 0.03 88.08 7.36 0.14 0.00 0.03 0.00 4.26 0.13 44 T E E 47.96 10.33 23.87 34.88 118.05 -130.17 -104.36 131.21 1.75 98.25 0.00 1.78 0.05 0.00 0.00 0.00 0.00 97.96 0.21 45 I E E 4.84 24.83 17.85 43.32 125.48 -170.13 -120.84 138.80 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.00 46 A E E 17.47 12.64 25.44 39.13 117.93 -140.34 -100.87 132.51 0.08 99.92 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 47 V E E 7.02 22.16 18.93 41.53 121.01 -164.07 -116.00 130.84 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.01 48 Y E E 50.35 12.24 18.70 32.31 116.44 -154.29 -105.16 124.99 6.02 93.93 0.04 4.74 0.79 0.14 0.00 0.03 0.00 94.15 0.15 49 D E E 58.95 9.10 16.47 27.04 103.21 177.19 -111.09 34.85 37.73 61.30 0.97 20.22 10.66 7.74 0.09 1.01 0.00 59.61 0.66 50 G C T 45.86 5.49 14.83 21.27 98.51 -79.15 76.20 -10.29 98.67 0.40 0.93 1.86 27.34 69.32 0.03 1.10 0.00 0.26 0.09 51 R C T 179.67 1.35 14.87 16.05 103.35 36.13 -100.00 -20.81 98.79 0.52 0.69 2.14 33.64 62.97 0.02 0.78 0.00 0.35 0.09 52 K E E 136.03 1.85 16.72 18.67 127.05 36.57 -125.60 146.60 25.96 73.96 0.08 17.61 8.04 0.65 0.01 0.08 0.00 73.01 0.60 53 H E E 91.25 14.03 11.13 24.93 118.40 -127.64 -94.70 133.38 6.83 93.16 0.00 6.19 0.29 0.02 0.00 0.00 0.00 93.34 0.17 54 V E E 50.21 9.21 18.00 28.89 120.82 -168.45 -122.41 127.68 1.99 98.01 0.00 1.78 0.06 0.00 0.00 0.00 0.00 98.15 0.02 55 P E E 74.14 8.36 19.91 28.88 114.83 -119.66 -69.24 140.66 1.44 98.56 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.63 0.01 56 V E E 15.10 21.15 15.23 36.29 127.52 -174.03 -128.06 140.93 0.56 99.44 0.00 0.54 0.00 0.00 0.00 0.00 0.00 99.44 0.01 57 F E E 96.47 7.20 25.53 33.19 116.77 -135.26 -98.66 131.74 0.92 99.08 0.00 0.89 0.02 0.00 0.00 0.00 0.00 99.04 0.06 58 I E E 8.05 24.99 12.87 38.52 114.81 -145.50 -96.53 126.27 20.53 79.46 0.01 20.81 0.21 0.01 0.00 0.00 0.00 78.48 0.48 59 S C C 36.61 6.11 22.42 28.90 132.68 171.42 -128.38 171.37 94.27 5.66 0.07 93.29 1.49 0.07 0.02 0.03 0.00 4.77 0.33 60 E H G 123.01 7.63 15.11 24.15 90.79 -96.75 -60.35 -31.92 18.51 0.11 81.37 0.59 1.73 14.73 1.53 81.33 0.00 0.07 0.02 61 D H G 117.26 1.37 19.46 20.08 90.25 61.56 -70.63 -18.15 18.49 0.07 81.44 0.34 0.93 15.89 1.37 81.41 0.00 0.05 0.01 62 M H G 24.31 18.80 12.76 31.83 95.50 51.69 -96.28 -6.68 19.11 0.27 80.61 1.73 1.92 13.87 1.80 80.45 0.00 0.18 0.05 63 V C T 52.55 15.61 13.49 29.31 112.63 113.74 -63.09 133.76 93.46 4.11 2.44 3.43 3.81 86.91 0.78 1.10 0.01 1.85 2.12 64 G C T 46.31 4.37 20.75 26.01 94.84 22.09 84.58 -4.46 98.14 0.81 1.05 2.38 5.19 90.70 0.18 0.79 0.00 0.57 0.18 65 H C C 68.45 11.87 16.00 28.63 123.09 125.71 -86.16 152.06 94.36 4.00 1.64 79.61 13.31 1.47 0.74 0.86 0.00 1.93 2.08 66 K C B 95.50 7.77 21.09 29.31 116.96 -110.87 -80.98 145.91 50.07 45.16 4.77 37.02 6.35 2.47 2.78 1.78 0.01 7.89 41.70 67 L H G 41.65 19.61 14.38 33.56 101.25 -106.54 -62.20 -25.74 37.70 1.95 60.36 6.26 6.55 25.20 7.53 52.39 0.05 1.21 0.81 68 G H G 32.96 11.02 18.23 29.31 94.80 38.11 68.59 -9.80 31.68 0.74 67.59 4.50 4.28 22.29 8.30 59.86 0.02 0.43 0.32 69 E H G 107.71 5.80 18.82 25.57 93.00 84.31 -73.34 -20.19 30.64 0.99 68.37 6.78 6.21 17.88 8.61 59.47 0.03 0.57 0.45 70 F C G 86.30 11.65 14.92 27.04 100.01 45.22 -99.57 -2.94 56.80 4.96 38.23 17.76 16.06 24.11 9.04 27.49 0.24 2.19 3.12 71 A C C 34.31 14.32 10.98 25.49 119.21 96.22 -92.92 140.52 89.80 4.42 5.79 49.09 36.73 4.18 2.58 3.01 0.01 2.03 2.38 72 P C C 86.33 4.78 14.20 20.30 110.52 -107.87 -68.73 145.36 86.27 3.67 10.05 58.51 14.20 13.18 2.44 8.04 0.00 2.20 1.43 73 T C C 91.90 5.59 10.66 17.75 112.15 -124.04 -90.58 130.28 81.73 7.79 10.47 56.79 11.82 12.69 2.35 8.56 0.01 4.81 2.97 74 R C C 148.79 4.86 9.75 16.37 113.95 -160.11 -101.42 129.15 81.24 10.85 7.91 53.63 18.91 8.74 2.19 5.86 0.01 7.28 3.39 75 T C C 104.20 2.32 9.43 13.51 114.62 -154.57 -98.89 128.00 81.00 13.95 5.05 58.49 15.78 6.47 1.61 3.55 0.00 10.47 3.63 76 Y C C 152.69 4.43 7.49 13.82 115.69 -153.71 -98.55 129.86 87.22 11.18 1.60 83.15 1.96 2.44 0.63 0.75 0.00 7.64 3.43 77 K C C 154.66 2.16 11.37 15.13 113.27 -151.09 -95.29 125.38 99.82 0.17 0.01 99.79 0.07 0.02 0.00 0.00 0.00 0.10 0.01