# 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 69.13 4.68 11.75 17.99 118.39 -132.07 -94.44 140.43 99.94 0.05 0.01 99.83 0.12 0.02 0.00 0.00 0.00 0.02 0.01 1 P C C 89.19 5.10 9.58 16.32 110.45 -105.29 -69.21 148.12 90.00 1.11 8.89 84.33 1.36 5.81 2.29 5.10 0.00 0.66 0.44 2 Q C C 135.40 2.33 9.54 13.44 107.35 -129.29 -82.81 66.87 78.52 6.51 14.97 47.77 16.21 14.58 3.14 12.07 0.01 4.02 2.19 3 Q C C 120.86 3.90 9.45 15.04 109.55 43.75 -90.00 103.72 68.49 14.24 17.28 43.62 13.61 11.52 4.34 13.08 0.05 9.16 4.61 4 R C C 144.46 4.93 9.94 16.57 111.43 101.83 -93.44 116.36 73.76 14.10 12.13 54.56 11.30 7.25 4.71 7.61 0.02 9.39 5.16 5 S C C 63.63 6.10 9.97 17.56 114.27 163.09 -101.14 142.92 74.34 12.48 13.18 43.81 17.00 14.09 4.21 8.73 0.04 7.02 5.08 6 G C T 56.35 2.78 12.58 16.50 97.74 -128.62 -75.16 -9.96 80.21 4.39 15.40 18.32 29.48 33.67 2.15 12.28 0.02 2.61 1.48 7 S C T 68.61 4.82 12.52 18.54 102.76 71.98 -89.13 -0.84 79.00 7.54 13.45 22.30 28.18 30.11 1.67 10.98 0.02 5.19 1.55 8 F C C 95.89 9.37 10.70 21.27 118.64 92.64 -95.92 137.05 66.19 27.67 6.14 39.53 20.03 7.86 1.08 4.93 0.01 24.55 2.01 9 R E E 122.74 5.72 14.41 21.57 120.37 -160.41 -107.19 139.22 41.25 58.35 0.40 33.56 6.14 0.83 0.08 0.28 0.00 58.51 0.60 10 K E E 111.20 8.44 12.41 22.20 118.74 -136.38 -99.70 134.08 6.59 93.39 0.02 6.28 0.26 0.02 0.00 0.01 0.00 93.19 0.24 11 V E E 61.84 7.48 13.37 22.82 123.81 -169.82 -120.15 139.16 1.62 98.38 0.00 1.57 0.03 0.00 0.00 0.00 0.00 98.36 0.04 12 F E E 128.83 5.07 12.85 19.79 115.72 -133.80 -94.14 129.33 1.03 98.97 0.00 0.98 0.02 0.00 0.00 0.00 0.00 98.98 0.02 13 V E E 60.28 7.60 10.95 20.60 125.72 -175.25 -123.76 144.18 1.52 98.48 0.00 1.41 0.05 0.00 0.00 0.00 0.00 98.52 0.02 14 K E E 142.17 2.40 11.72 15.62 114.37 -127.51 -90.27 127.60 5.78 94.21 0.01 5.55 0.18 0.01 0.00 0.00 0.00 93.69 0.57 15 L C C 55.55 8.30 6.74 16.53 122.46 -147.05 -87.50 163.87 96.09 3.87 0.04 96.10 0.49 0.08 0.01 0.02 0.00 3.04 0.28 16 P C T 123.17 0.91 9.32 10.68 91.55 -98.73 -61.12 -26.26 98.08 0.31 1.61 0.76 3.67 93.40 0.03 1.89 0.00 0.19 0.06 17 S C T 93.22 0.75 8.84 9.45 94.07 53.52 -86.73 -0.18 97.92 0.11 1.97 0.43 3.06 94.07 0.04 2.32 0.00 0.05 0.03 18 G C S 57.74 1.41 9.86 12.15 97.97 -101.31 85.33 5.51 96.99 0.76 2.25 13.56 79.87 3.65 0.17 1.98 0.00 0.38 0.39 19 K C C 121.29 2.52 9.53 13.85 118.49 131.02 -85.58 146.30 94.76 5.19 0.05 91.56 3.32 0.18 0.01 0.04 0.00 4.30 0.59 20 S E E 72.15 4.32 10.18 16.64 117.41 -128.13 -94.43 135.89 6.66 93.34 0.01 6.27 0.22 0.01 0.00 0.00 0.00 93.07 0.42 21 T E E 53.99 7.63 11.46 21.21 125.53 -170.55 -123.30 142.20 0.80 99.20 0.00 0.69 0.03 0.00 0.00 0.00 0.00 99.27 0.00 22 I E E 87.73 6.63 13.18 21.74 117.39 -140.18 -103.80 128.93 0.25 99.75 0.00 0.23 0.00 0.00 0.00 0.00 0.00 99.77 0.00 23 H E E 73.44 8.16 13.12 23.37 121.29 -165.81 -113.55 134.27 0.56 99.44 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 24 Y E E 103.24 8.50 12.66 22.93 121.22 -159.37 -111.37 133.89 3.45 96.55 0.00 3.14 0.11 0.00 0.00 0.00 0.00 96.67 0.07 25 E E E 92.30 6.68 13.65 22.08 122.38 -169.90 -117.26 136.88 15.56 84.39 0.05 13.88 1.24 0.09 0.01 0.03 0.00 84.24 0.50 26 R E E 143.60 4.94 13.09 19.87 115.10 -120.76 -79.37 137.42 43.98 55.83 0.19 39.57 3.18 0.37 0.04 0.15 0.00 55.32 1.36 27 R C C 122.37 8.10 9.88 19.36 114.55 -122.49 -85.02 140.26 79.67 19.75 0.58 68.77 9.28 1.70 0.13 0.51 0.00 16.55 3.07 28 K C C 128.22 4.34 11.47 17.38 115.40 -118.89 -85.25 136.57 92.34 6.88 0.78 77.41 10.69 4.21 0.17 0.71 0.00 4.31 2.50 29 D C C 104.08 4.43 10.87 17.08 109.50 -133.69 -82.42 118.06 95.22 3.94 0.84 62.90 23.56 8.82 0.10 0.94 0.00 2.55 1.13 30 N C C 101.29 3.82 13.19 18.53 123.31 91.13 -114.23 150.97 92.91 6.72 0.36 65.90 24.45 2.61 0.07 0.38 0.00 3.27 3.34 31 I C C 91.76 6.77 15.46 23.43 117.61 -101.22 -83.28 141.56 94.29 5.52 0.20 87.04 7.26 0.42 0.05 0.14 0.00 3.53 1.57 32 A C C 25.09 16.45 12.51 29.20 114.15 -113.87 -74.23 140.69 95.41 4.51 0.09 87.14 8.15 0.31 0.01 0.07 0.00 3.65 0.65 33 R E B 110.04 6.24 21.05 28.16 131.61 -165.66 -128.55 149.68 6.80 93.18 0.02 4.77 0.18 0.00 0.02 0.00 0.00 7.83 87.19 34 C C C 15.02 16.98 12.37 30.55 110.43 -109.07 -68.30 132.04 90.74 9.24 0.02 92.62 0.29 0.02 0.00 0.01 0.00 5.30 1.75 35 G C T 31.72 8.31 16.34 26.41 92.63 -143.44 -67.98 -25.51 99.90 0.05 0.05 0.21 3.21 96.50 0.00 0.05 0.00 0.03 0.01 36 M C T 108.19 5.21 15.94 22.19 100.38 43.09 -85.01 -41.70 99.92 0.04 0.04 0.03 1.76 98.15 0.00 0.03 0.00 0.02 0.01 37 C C T 69.85 4.13 14.03 19.42 101.60 20.59 -106.37 -13.37 99.90 0.05 0.05 0.23 3.85 95.84 0.00 0.04 0.00 0.02 0.01 38 K C C 137.44 4.65 12.68 19.35 94.77 -126.03 71.06 13.88 99.64 0.32 0.04 85.32 12.26 2.02 0.01 0.03 0.00 0.14 0.23 39 K C C 111.59 3.12 15.99 20.35 120.47 137.14 -85.11 148.19 98.23 1.75 0.01 80.87 17.56 0.11 0.00 0.01 0.00 0.89 0.56 40 P E B 87.82 5.50 16.86 23.68 113.85 -99.87 -64.37 143.81 4.12 95.85 0.02 2.90 0.12 0.00 0.03 0.00 0.00 7.85 89.10 41 L C C 24.42 21.29 9.68 30.04 111.98 -115.45 -81.43 131.50 93.18 6.59 0.23 92.01 1.51 0.32 0.03 0.20 0.00 4.72 1.21 42 N C C 114.06 2.96 21.02 24.14 109.29 -138.95 -82.98 116.94 94.34 4.61 1.04 55.74 23.20 15.23 0.12 1.27 0.00 3.25 1.19 43 G C C 30.81 10.61 16.19 26.91 124.42 -29.17 110.32 169.72 82.15 16.52 1.32 39.02 29.46 14.79 0.19 1.47 0.00 12.01 3.07 44 V C C 47.92 14.68 12.65 27.49 119.47 -66.34 -102.58 135.69 60.20 39.32 0.49 48.46 10.00 0.66 0.24 0.32 0.00 24.70 15.61 45 K C C 105.07 5.62 16.64 23.21 113.22 -114.01 -72.53 142.53 78.64 20.66 0.70 75.59 2.28 0.67 0.23 0.45 0.00 15.85 4.94 46 N C T 92.67 8.47 11.09 20.63 105.40 -139.83 -82.41 54.58 90.26 4.18 5.56 29.72 23.83 37.07 0.74 4.99 0.00 2.57 1.07 47 N C T 109.03 3.30 11.74 16.32 107.96 77.26 -94.26 87.77 90.38 3.45 6.16 28.35 25.14 37.13 0.88 5.38 0.00 1.90 1.21 48 Y C C 148.54 4.37 8.70 14.82 113.64 133.21 -94.11 126.75 90.61 3.05 6.34 56.80 26.35 7.37 1.57 4.69 0.00 1.46 1.75 49 T C C 108.36 1.78 9.68 12.40 103.04 -100.58 -87.04 10.59 93.40 1.72 4.88 74.46 10.50 8.26 1.12 3.86 0.00 1.01 0.79 50 Y C C 142.29 4.05 8.27 13.99 120.81 89.71 -108.53 142.81 93.76 2.10 4.14 70.34 13.06 10.05 0.79 3.62 0.00 1.21 0.93 51 K C C 163.47 1.37 10.63 13.15 111.47 -127.61 -87.55 123.85 90.57 5.94 3.49 69.99 11.62 8.44 0.74 2.95 0.00 3.24 3.03 52 Y C C 109.42 7.68 7.20 16.26 121.74 -150.95 -102.01 145.57 92.68 6.28 1.04 70.22 20.97 1.30 0.47 0.54 0.00 3.11 3.38 53 S C C 63.10 2.50 12.53 15.86 115.96 -107.03 -72.27 153.31 90.26 7.72 2.02 85.36 3.37 1.11 0.81 1.05 0.00 3.37 4.92 54 K C G 141.20 4.72 9.53 16.12 93.17 -115.17 -62.75 -27.38 53.11 0.65 46.24 5.32 7.59 37.94 2.29 46.21 0.00 0.38 0.26 55 T C G 100.11 2.53 11.20 14.85 95.43 60.24 -81.93 -8.53 53.25 0.74 46.01 5.23 6.68 38.81 2.19 46.40 0.00 0.42 0.26 56 E C G 120.60 3.95 12.39 17.56 99.18 70.65 -84.46 -1.27 54.52 1.74 43.73 22.81 17.53 11.91 2.56 43.50 0.01 0.89 0.77 57 K C C 91.97 9.13 10.65 21.00 114.56 104.05 -89.06 131.07 92.42 3.58 3.99 60.62 28.77 2.30 1.51 2.21 0.00 1.06 3.52 58 R C C 128.12 5.88 15.38 22.50 119.32 -149.87 -96.95 140.39 96.72 2.71 0.57 84.10 11.40 0.63 0.26 0.27 0.00 0.89 2.45 59 P C C 50.38 14.07 10.88 25.26 110.15 -106.93 -67.27 139.90 95.59 2.72 1.69 77.05 12.30 5.68 0.54 1.11 0.00 1.05 2.28 60 E C C 139.17 2.98 16.03 19.94 100.89 137.82 -96.60 0.58 94.54 4.21 1.26 63.49 25.80 4.35 0.42 0.82 0.00 1.33 3.78 61 R C S 103.64 6.78 11.33 19.87 123.33 91.02 -98.38 152.67 92.67 6.08 1.26 35.33 53.00 2.97 0.49 0.69 0.00 1.63 5.88 62 V C T 107.80 3.74 14.64 19.21 96.80 -96.54 -63.61 -27.26 96.39 0.67 2.95 2.72 11.21 82.12 0.65 2.51 0.00 0.41 0.39 63 Y C T 132.58 6.17 13.19 20.62 97.31 34.28 -94.70 10.54 95.74 1.11 3.14 4.02 9.83 81.40 0.50 2.99 0.00 0.72 0.52 64 G C C 30.17 10.12 12.91 24.00 117.07 144.37 -62.90 154.69 88.32 4.49 7.19 39.10 21.00 27.33 0.96 6.47 0.00 1.72 3.40 65 G C S 38.72 7.12 16.65 24.66 103.56 22.02 90.60 -9.29 88.77 6.23 4.99 26.68 33.16 29.12 0.89 3.96 0.01 3.66 2.53 66 Y C C 126.90 6.25 18.86 25.74 116.03 70.75 -100.21 122.16 78.57 16.89 4.54 33.78 33.35 11.99 1.28 2.94 0.04 10.23 6.38 67 L C C 46.61 15.34 13.00 28.43 123.56 -111.05 -99.86 148.50 64.66 33.89 1.44 42.18 18.73 1.37 0.99 0.43 0.00 8.76 27.53 68 C C C 41.86 7.87 15.95 25.63 115.25 -109.10 -72.47 149.10 96.87 2.42 0.72 95.36 1.77 0.19 0.60 0.07 0.00 1.11 0.89 69 H H H 112.10 6.65 14.80 22.66 92.51 -117.15 -61.17 -36.10 6.68 0.09 93.23 1.40 1.24 4.15 90.95 2.14 0.03 0.04 0.05 70 K H H 133.77 1.66 18.15 19.01 92.34 54.07 -65.01 -39.59 5.49 0.09 94.42 0.79 0.62 4.07 91.71 2.67 0.04 0.05 0.04 71 C H H 35.77 7.61 13.47 23.22 92.53 49.36 -66.32 -41.10 4.13 0.24 95.63 1.24 0.60 2.39 91.81 3.67 0.05 0.17 0.08 72 L H H 42.18 11.60 11.25 24.02 92.59 51.87 -65.73 -40.17 4.37 0.49 95.14 1.91 0.64 2.04 91.39 3.48 0.03 0.41 0.10 73 E H H 116.32 3.46 13.50 18.11 92.38 54.49 -65.75 -35.80 10.85 0.66 88.48 2.44 1.12 7.19 83.33 5.14 0.06 0.57 0.15 74 S H H 85.29 1.37 13.32 14.64 93.59 52.45 -70.78 -28.28 28.36 0.42 71.22 3.29 1.86 22.60 67.35 4.42 0.05 0.29 0.15 75 L H H 93.64 5.88 11.17 18.36 97.59 49.69 -83.51 -20.74 46.10 0.44 53.47 16.08 1.25 26.90 52.84 2.46 0.01 0.19 0.26 76 I C C 80.81 10.85 11.14 22.19 104.06 74.33 -81.87 47.51 99.25 0.59 0.16 99.02 0.25 0.14 0.13 0.02 0.00 0.34 0.11