# 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 117.49 5.07 11.97 18.65 117.53 -164.15 -98.61 134.87 99.84 0.14 0.01 99.75 0.12 0.03 0.01 0.00 0.00 0.07 0.02 1 S C C 74.03 4.47 10.15 16.45 115.72 -135.11 -85.82 142.11 94.95 3.05 2.00 91.97 0.93 2.76 0.51 0.96 0.00 1.65 1.21 2 H C C 119.95 5.96 9.63 17.07 114.40 -146.27 -96.21 127.88 90.24 5.20 4.56 59.68 18.09 11.96 0.56 4.68 0.00 2.97 2.06 3 K C C 132.59 4.79 12.30 18.59 113.08 -157.89 -93.51 123.39 90.04 5.74 4.22 49.32 28.77 11.94 0.37 4.43 0.00 4.21 0.94 4 Q C C 100.30 5.72 15.09 22.05 120.99 -150.84 -112.41 138.23 79.58 17.76 2.66 54.09 20.00 5.22 0.32 2.55 0.00 16.57 1.25 5 I E E 55.52 15.13 11.76 27.14 120.46 -154.79 -109.47 132.34 40.02 59.83 0.15 36.27 2.94 0.25 0.04 0.11 0.00 59.26 1.14 6 Y E E 106.35 6.99 18.87 26.95 124.87 -168.14 -119.91 140.62 7.67 92.28 0.05 7.06 0.51 0.06 0.03 0.03 0.00 90.71 1.61 7 Y E E 95.09 13.15 13.63 27.14 124.17 -156.67 -113.09 142.10 12.65 87.28 0.08 11.30 1.13 0.11 0.03 0.04 0.00 85.74 1.63 8 S C C 34.04 11.34 12.43 24.96 120.60 -123.92 -81.51 159.38 59.69 40.17 0.14 54.07 3.90 0.36 0.03 0.12 0.00 40.68 0.85 9 D C C 107.28 2.73 17.38 20.46 111.69 -109.06 -77.97 141.11 74.66 25.18 0.16 37.95 34.13 1.41 0.01 0.16 0.00 25.94 0.40 10 K C E 124.96 5.60 13.16 20.43 120.38 -85.27 -98.29 140.60 50.25 49.50 0.26 40.87 7.84 0.96 0.03 0.25 0.00 49.32 0.73 11 Y E E 90.99 9.29 10.42 21.25 128.01 -173.10 -131.74 149.03 10.77 89.08 0.15 9.49 0.95 0.18 0.08 0.09 0.00 81.97 7.25 12 D E E 103.69 3.08 11.78 16.66 117.71 -147.54 -113.38 124.77 24.79 75.06 0.15 21.22 3.24 0.54 0.05 0.12 0.00 72.66 2.16 13 D C C 68.87 6.30 8.20 16.27 122.59 167.82 -123.90 157.37 77.32 22.15 0.53 59.38 13.48 3.49 0.10 0.49 0.00 21.75 1.30 14 E C S 170.59 0.48 11.31 10.63 94.22 -94.33 -65.87 -27.28 98.85 0.44 0.71 4.12 57.76 37.18 0.08 0.51 0.00 0.26 0.10 15 E C S 147.23 1.13 11.18 12.15 101.72 32.92 -96.12 -24.32 98.35 0.96 0.69 4.24 58.87 35.49 0.07 0.54 0.00 0.65 0.16 16 F E E 85.38 7.55 10.25 19.47 132.51 12.95 -145.30 150.83 49.03 50.43 0.54 32.02 15.71 3.66 0.12 0.52 0.00 45.73 2.24 17 E E E 107.72 4.63 14.24 20.28 114.52 -135.94 -95.36 129.50 20.70 79.00 0.29 16.79 3.16 0.88 0.11 0.19 0.00 77.13 1.74 18 Y E E 69.03 12.11 12.79 26.01 131.37 160.44 -134.34 151.60 14.53 85.31 0.16 12.33 1.68 0.39 0.05 0.10 0.00 84.33 1.12 19 R E E 90.15 9.47 17.14 27.74 120.62 -150.49 -110.11 135.07 20.88 78.97 0.14 16.61 3.48 0.49 0.03 0.10 0.00 78.92 0.37 20 H E E 71.68 11.03 17.91 29.72 123.95 -140.44 -115.15 137.12 15.29 84.63 0.08 12.05 3.11 0.26 0.02 0.05 0.00 84.00 0.51 21 V E E 26.48 16.17 16.19 33.31 122.63 -165.10 -117.74 134.27 7.93 92.04 0.03 7.35 0.44 0.03 0.01 0.01 0.00 91.52 0.64 22 M E E 81.99 8.38 21.72 30.78 117.87 -150.01 -106.86 127.73 10.61 89.36 0.03 9.76 0.72 0.05 0.01 0.01 0.00 87.85 1.59 23 L E E 21.45 20.03 12.65 32.58 120.34 -159.28 -101.97 138.24 46.06 53.92 0.02 42.85 2.47 0.05 0.00 0.01 0.00 53.80 0.80 24 P C C 46.20 6.50 17.45 25.74 113.91 -106.71 -63.92 146.55 75.93 23.97 0.10 76.36 0.73 0.07 0.05 0.03 0.00 21.95 0.81 25 K H H 128.44 5.52 13.82 21.25 91.35 -114.55 -57.72 -37.12 5.38 0.02 94.60 0.45 0.63 3.91 86.73 8.24 0.01 0.01 0.01 26 D H H 104.27 1.45 17.13 17.73 91.69 56.98 -65.08 -35.51 3.34 0.03 96.63 0.27 0.26 2.61 87.99 8.83 0.01 0.02 0.01 27 I H H 39.39 12.51 13.71 27.19 93.84 48.30 -72.73 -33.52 1.67 0.03 98.31 0.19 0.14 1.20 89.38 9.06 0.00 0.02 0.00 28 A H H 23.31 16.69 11.27 27.86 91.16 63.31 -62.49 -35.46 3.71 0.03 96.26 0.31 0.21 2.87 83.88 12.69 0.01 0.02 0.00 29 K C T 154.87 1.43 18.34 19.28 90.89 59.11 -69.03 -21.75 50.84 0.05 49.11 0.47 0.80 53.06 36.07 9.49 0.02 0.02 0.05 30 L C T 101.98 4.42 16.40 21.72 94.04 57.94 -87.01 -8.17 63.96 0.07 35.98 0.60 1.49 64.40 25.88 7.53 0.01 0.03 0.07 31 V C S 24.05 19.91 7.63 26.06 117.76 95.25 -84.03 137.44 99.35 0.44 0.22 9.64 89.47 0.30 0.14 0.03 0.00 0.09 0.33 32 P C C 62.53 4.34 15.70 21.39 113.35 -106.04 -63.75 144.63 98.38 1.04 0.58 95.96 1.44 1.04 0.16 0.29 0.00 0.35 0.75 33 K C T 150.93 4.41 11.27 18.04 92.34 -123.22 -65.32 -21.78 94.83 0.55 4.61 4.72 18.73 70.74 0.36 4.86 0.00 0.32 0.28 34 T C T 110.07 1.31 14.69 15.60 95.87 60.85 -87.66 -3.01 94.77 1.23 4.01 5.71 17.04 71.36 0.31 4.36 0.00 0.86 0.36 35 H C C 93.04 8.23 12.08 21.61 115.43 92.43 -98.22 127.56 84.08 11.81 4.11 49.98 28.66 5.56 0.47 4.36 0.00 7.23 3.75 36 L C C 96.23 7.57 14.57 23.39 115.29 -143.13 -88.16 132.44 73.32 26.11 0.57 63.99 7.25 1.76 0.16 0.52 0.00 19.20 7.12 37 M C C 44.88 14.95 11.22 26.45 124.53 -146.75 -109.17 149.36 64.78 35.04 0.18 57.70 7.08 0.26 0.08 0.11 0.00 25.93 8.85 38 S C C 53.29 3.40 19.53 22.72 120.03 -110.82 -73.80 161.39 80.22 19.58 0.20 79.89 1.47 0.08 0.13 0.05 0.00 15.42 2.98 39 E H H 100.91 9.78 12.46 23.30 91.10 -108.63 -58.23 -38.02 2.33 0.03 97.64 0.50 0.45 1.39 96.55 1.07 0.01 0.01 0.01 40 S H H 75.19 1.36 17.45 17.59 91.65 54.88 -63.94 -40.36 1.04 0.02 98.94 0.12 0.12 0.77 97.76 1.20 0.00 0.02 0.00 41 E H H 72.73 6.03 15.80 23.34 91.84 49.66 -65.28 -40.84 0.42 0.03 99.55 0.06 0.04 0.31 98.22 1.34 0.00 0.03 0.00 42 W H H 29.49 17.87 11.34 29.14 92.07 50.68 -64.63 -41.91 0.64 0.05 99.31 0.08 0.06 0.49 98.22 1.09 0.00 0.05 0.00 43 R H H 123.07 5.94 15.71 22.88 91.53 51.37 -63.77 -40.00 5.41 0.07 94.52 0.47 0.32 4.54 92.93 1.64 0.02 0.05 0.02 44 N H H 119.80 1.33 17.22 17.72 91.28 53.26 -66.83 -29.03 19.36 0.04 80.59 0.57 0.59 18.79 78.48 1.50 0.03 0.02 0.03 45 L C T 62.22 10.90 13.11 25.00 93.91 55.44 -82.11 -8.42 70.59 0.17 29.25 1.79 3.02 64.10 29.15 1.75 0.01 0.06 0.13 46 G C T 41.12 5.49 17.61 23.83 98.87 -102.83 86.83 7.62 95.13 0.51 4.36 10.64 7.16 77.52 3.26 0.96 0.00 0.26 0.20 47 V C C 42.68 14.71 11.19 26.05 104.02 121.94 -86.34 17.08 88.25 3.94 7.81 71.54 9.36 6.94 3.80 4.12 0.00 2.23 2.01 48 Q C C 110.26 5.84 15.49 22.37 105.32 82.60 -91.10 20.77 86.08 5.84 8.08 62.96 12.70 10.25 2.97 5.11 0.01 3.57 2.43 49 Q C C 118.08 5.32 13.49 20.01 103.44 62.74 -89.97 11.03 85.22 8.27 6.51 51.48 24.14 9.76 1.99 4.57 0.01 4.70 3.33 50 S C C 53.31 8.24 10.60 20.07 120.26 97.18 -100.22 148.88 89.63 7.07 3.29 63.93 20.46 5.00 1.47 1.94 0.00 3.80 3.40 51 Q C T 143.92 1.97 14.10 16.82 103.13 -115.84 -76.95 47.75 88.51 4.52 6.97 22.54 30.05 36.71 3.31 3.26 0.02 2.76 1.36 52 G C T 40.69 5.82 14.13 21.07 116.23 17.24 117.27 -1.08 84.91 7.69 7.40 25.07 26.32 34.63 3.67 3.24 0.03 5.44 1.59 53 W C C 110.74 11.07 11.27 23.07 119.55 -76.69 -100.64 137.55 67.38 24.22 8.39 55.19 7.71 3.45 6.25 2.65 0.02 15.59 9.13 54 V C C 71.71 7.05 15.57 24.00 121.82 -162.72 -115.31 136.12 48.95 30.71 20.33 39.40 5.25 3.34 17.14 3.85 0.06 23.67 7.28 55 H H H 84.62 9.66 13.59 24.28 113.17 -136.77 -86.87 132.58 36.94 25.79 37.26 24.69 6.77 6.84 25.89 10.65 0.20 21.61 3.36 56 Y H H 115.89 7.97 13.03 21.98 101.38 -154.24 -81.01 -7.06 34.98 19.15 45.87 16.85 8.18 12.20 28.44 15.73 0.45 15.58 2.58 57 M H H 111.88 4.83 12.35 18.49 99.58 80.48 -82.28 -5.65 37.11 19.83 43.06 17.97 8.81 12.70 26.43 15.10 0.61 15.21 3.17 58 I C H 110.77 3.72 11.76 16.71 101.51 69.51 -90.57 -13.70 44.87 21.39 33.74 22.20 12.37 12.69 23.29 8.72 1.16 13.92 5.65 59 H C C 103.89 6.08 8.94 16.57 114.83 68.18 -102.23 127.41 73.37 14.26 12.37 41.12 22.89 9.97 9.18 3.35 0.13 8.45 4.91 60 E C C 139.42 2.31 11.40 15.05 113.60 -114.06 -96.40 125.37 93.01 5.93 1.06 58.45 30.11 4.90 0.38 0.67 0.00 3.85 1.64 61 P C C 89.51 4.80 9.03 15.48 110.55 -101.97 -72.07 140.35 95.96 2.53 1.51 50.80 34.15 11.24 0.40 1.08 0.00 1.45 0.87 62 E C C 119.23 3.74 10.17 15.53 115.58 -135.42 -96.65 131.00 93.70 3.69 2.61 64.50 23.03 6.08 1.06 1.56 0.00 1.78 1.99 63 P C T 95.18 3.59 10.08 15.28 102.70 -110.70 -70.20 51.16 80.27 2.13 17.59 28.79 16.41 35.64 7.60 9.50 0.01 1.24 0.80 64 H C T 129.92 4.01 10.61 16.06 105.54 57.69 -88.83 37.56 67.12 10.37 22.50 25.01 15.22 28.19 10.83 10.89 0.15 7.40 2.32 65 I C C 90.59 5.94 10.52 18.16 115.95 108.40 -102.55 124.86 47.40 26.78 25.82 29.65 10.08 9.04 14.33 11.67 0.38 20.18 4.67 66 L C C 95.78 5.62 11.41 18.67 113.44 -156.14 -94.76 125.69 43.42 28.51 28.07 30.58 6.98 7.02 14.59 12.78 0.12 25.11 2.83 67 L C E 103.28 5.03 11.71 18.20 102.92 -166.57 -89.25 -11.82 42.61 31.25 26.14 26.08 9.96 9.46 11.28 13.47 0.27 26.47 3.01 68 F C E 115.67 5.89 11.02 18.40 119.23 48.64 -111.34 131.77 42.12 37.33 20.55 27.11 9.18 8.47 9.81 10.37 0.29 30.41 4.36 69 R C C 148.29 4.51 10.51 16.96 118.63 -164.17 -108.78 133.24 60.15 35.17 4.68 42.56 13.40 4.25 2.55 2.56 0.05 29.16 5.47 70 R C C 144.36 3.40 10.68 16.01 122.66 -165.29 -115.43 140.29 73.71 26.06 0.23 56.11 17.19 0.85 0.07 0.18 0.00 23.59 2.00 71 P C C 100.50 2.61 10.96 15.28 114.40 -104.25 -66.87 146.61 71.59 27.97 0.44 65.68 4.19 0.70 0.18 0.29 0.00 21.60 7.36 72 L C C 103.94 5.75 7.25 14.80 114.11 -107.70 -76.61 139.17 95.92 3.44 0.64 83.83 10.47 1.63 0.17 0.48 0.00 2.09 1.33 73 P C C 104.38 2.22 8.76 12.66 111.48 -103.43 -69.71 146.47 97.06 1.65 1.28 76.37 14.38 6.18 0.23 1.13 0.00 0.89 0.81 74 K C C 166.24 1.14 8.28 10.65 113.38 -118.74 -86.81 137.18 96.78 1.79 1.43 66.77 25.53 4.33 0.27 1.09 0.00 0.66 1.35 75 K C C 152.61 1.95 7.31 11.22 114.73 -110.52 -83.53 135.79 98.50 0.62 0.87 73.45 23.05 2.06 0.26 0.51 0.00 0.27 0.40 76 P C C 101.85 2.63 6.54 11.22 112.75 -108.14 -67.73 146.88 96.54 0.53 2.92 76.84 8.26 11.37 0.71 2.23 0.00 0.28 0.31 77 K C C 168.35 1.02 7.56 9.75 110.28 -115.15 -82.07 132.76 96.43 0.93 2.64 86.70 2.13 8.16 0.71 1.38 0.00 0.43 0.49 78 K C C 162.38 1.64 8.97 12.10 109.10 -114.76 -83.17 121.41 99.83 0.11 0.06 99.44 0.27 0.18 0.02 0.01 0.00 0.05 0.02