# 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 120.35 4.95 11.79 18.40 114.29 -146.01 -93.60 129.95 99.95 0.04 0.01 99.89 0.05 0.03 0.00 0.00 0.00 0.02 0.00 1 S C C 75.96 4.38 9.70 15.96 113.80 -147.60 -93.16 137.24 92.20 4.67 3.12 87.06 1.15 4.89 1.04 1.38 0.00 2.52 1.96 2 K C C 145.13 3.18 10.33 15.27 109.23 -145.99 -90.33 102.96 90.25 5.72 4.03 57.32 21.88 11.12 1.23 2.80 0.00 3.26 2.38 3 A C C 73.15 4.35 11.68 17.69 111.73 -142.97 -88.49 128.89 91.91 3.77 4.32 58.65 26.53 6.97 1.49 2.60 0.00 1.87 1.89 4 H C C 92.44 10.57 10.87 22.14 117.37 -120.80 -95.40 136.39 97.36 1.04 1.60 76.90 19.18 1.25 1.17 0.41 0.00 0.38 0.72 5 P C C 51.19 9.16 12.37 23.25 113.93 -106.17 -67.54 149.14 89.23 0.16 10.61 83.25 2.88 2.97 8.84 1.92 0.00 0.06 0.09 6 P H H 88.59 3.78 14.78 19.62 96.32 -108.51 -62.35 -31.84 31.97 0.31 67.72 14.75 4.14 13.00 44.05 23.75 0.00 0.16 0.15 7 E H H 91.99 6.87 16.48 24.31 94.49 58.70 -69.35 -28.25 16.95 0.33 82.72 4.79 2.19 9.09 52.81 30.79 0.02 0.21 0.09 8 L H H 16.71 22.15 11.13 32.23 93.46 61.78 -66.85 -33.59 7.78 0.12 92.10 2.40 0.94 3.81 55.49 37.25 0.00 0.09 0.02 9 K H H 114.68 7.66 16.87 25.72 91.45 66.05 -63.64 -30.92 7.67 0.08 92.25 1.50 0.78 4.55 52.44 40.65 0.00 0.05 0.02 10 K H G 135.73 2.44 20.21 22.52 91.34 61.91 -69.66 -23.14 19.91 0.10 79.99 1.40 1.42 15.18 39.61 42.26 0.03 0.06 0.05 11 F H G 33.36 17.77 13.61 31.52 97.57 47.11 -99.01 -4.91 42.71 0.35 56.94 4.84 3.19 33.36 22.60 35.50 0.03 0.17 0.31 12 M C T 57.51 14.96 13.15 28.47 112.37 118.97 -66.18 136.73 96.91 0.80 2.28 1.55 2.47 93.54 0.80 0.76 0.00 0.32 0.57 13 D C T 109.36 3.16 20.10 23.78 93.43 11.48 69.25 15.55 99.18 0.25 0.57 0.52 3.51 95.40 0.07 0.30 0.00 0.17 0.03 14 K C S 88.28 7.78 17.42 26.50 127.93 108.90 -106.81 155.37 97.75 2.18 0.07 39.60 57.75 0.56 0.01 0.05 0.00 1.86 0.16 15 K E E 117.07 6.85 19.84 27.71 113.80 -108.95 -79.00 132.98 12.39 87.59 0.02 12.74 0.27 0.02 0.01 0.01 0.00 85.26 1.68 16 L E E 12.46 21.35 14.59 36.12 133.96 177.73 -135.61 155.42 2.55 97.45 0.00 2.43 0.07 0.00 0.00 0.00 0.00 97.46 0.04 17 S E E 34.42 9.89 24.08 34.85 121.59 -136.52 -110.44 136.43 0.43 99.57 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.59 0.01 18 L E E 9.74 23.14 17.27 40.64 124.67 -169.88 -122.27 135.05 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 19 K E E 93.94 7.52 22.76 30.84 113.58 -144.05 -98.02 122.47 1.25 98.74 0.01 1.16 0.04 0.00 0.00 0.00 0.00 98.75 0.03 20 L E E 23.25 18.60 11.86 30.20 124.79 -165.28 -100.73 161.47 25.36 74.43 0.21 23.55 1.09 0.18 0.04 0.13 0.00 74.49 0.52 21 N C T 95.55 6.53 15.10 22.67 108.02 -87.31 -63.86 128.54 73.25 5.03 21.72 1.93 5.23 66.87 0.47 21.36 0.00 3.72 0.41 22 G C T 59.18 1.80 15.32 17.35 94.90 13.35 72.83 5.03 79.54 0.24 20.21 0.55 3.16 73.70 0.25 22.14 0.00 0.13 0.07 23 G C T 47.63 4.12 15.31 20.47 97.67 -87.55 87.44 3.60 81.34 0.93 17.73 6.33 28.41 43.67 0.33 20.43 0.00 0.55 0.28 24 R C C 81.62 10.45 14.31 26.17 118.46 132.50 -82.37 143.00 53.87 46.07 0.06 50.09 1.27 0.34 0.01 0.04 0.00 47.77 0.48 25 H E E 74.56 11.79 19.67 31.98 126.10 -164.65 -122.87 140.29 1.14 98.86 0.00 0.96 0.05 0.00 0.00 0.00 0.00 98.97 0.02 26 V E E 8.63 22.12 18.17 40.63 124.97 -166.94 -121.17 136.01 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 27 Q E E 65.47 10.87 25.85 36.87 124.37 -165.23 -118.69 136.57 0.11 99.89 0.00 0.09 0.00 0.00 0.00 0.00 0.00 99.91 0.00 28 G E E 6.21 16.35 22.17 39.04 145.36 112.62 170.36 -176.14 0.37 99.63 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 29 I E E 52.32 9.77 25.85 36.80 120.41 -74.32 -110.44 134.32 0.44 99.56 0.00 0.38 0.01 0.00 0.00 0.00 0.00 99.61 0.00 30 L E E 10.22 24.08 15.14 39.98 109.98 -117.60 -73.30 127.28 0.99 99.00 0.00 0.94 0.02 0.00 0.00 0.00 0.00 99.02 0.01 31 R E E 107.39 6.92 23.09 30.72 100.35 174.47 -100.23 -24.19 2.88 97.11 0.01 2.04 0.51 0.05 0.00 0.01 0.00 97.38 0.02 32 G E E 19.84 7.11 24.00 32.43 145.45 -28.43 166.03 170.24 1.78 98.21 0.01 1.17 0.38 0.04 0.00 0.01 0.00 98.38 0.01 33 F E E 62.22 19.03 12.59 30.73 134.32 -144.56 -143.69 151.15 1.36 98.64 0.00 1.31 0.08 0.00 0.00 0.00 0.00 97.30 1.32 34 D C C 54.60 7.16 15.27 23.85 125.23 -131.60 -92.24 169.93 97.58 2.41 0.01 97.75 0.22 0.04 0.00 0.00 0.00 1.85 0.13 35 P C T 113.69 2.54 14.25 17.96 91.03 -93.76 -63.91 -20.53 99.79 0.03 0.18 0.07 1.63 98.10 0.00 0.18 0.00 0.01 0.00 36 F C T 134.36 2.98 15.23 18.89 93.62 52.66 -89.83 3.08 99.80 0.02 0.18 0.10 1.84 97.85 0.00 0.19 0.00 0.01 0.00 37 M C C 68.49 12.50 14.23 27.39 93.46 -110.87 68.07 25.71 98.93 0.65 0.42 51.70 43.96 3.19 0.04 0.46 0.00 0.34 0.31 38 N C C 45.21 9.34 20.37 30.99 116.76 150.06 -81.76 140.49 96.32 3.66 0.02 93.82 2.42 0.25 0.00 0.02 0.00 3.00 0.49 39 L E E 14.06 22.09 17.60 39.89 116.49 -133.51 -99.35 130.68 0.85 99.15 0.00 0.87 0.01 0.00 0.00 0.00 0.00 98.92 0.18 40 V E E 27.82 11.67 25.32 38.04 120.60 -164.39 -115.36 131.04 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 41 I E E 9.73 23.46 17.23 41.09 118.59 -157.97 -108.27 127.91 0.14 99.86 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 42 D E E 50.42 8.33 23.13 31.83 128.79 -171.31 -118.76 159.86 2.08 97.92 0.00 1.23 0.55 0.02 0.00 0.00 0.00 98.20 0.00 43 E E E 111.88 5.01 23.68 29.01 96.65 4.26 56.68 53.98 1.36 98.64 0.00 0.91 0.18 0.01 0.00 0.00 0.00 98.91 0.00 44 C E E 9.01 22.33 13.19 35.41 122.34 168.65 -94.58 147.03 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.49 0.00 45 V E E 39.82 8.89 23.66 33.79 121.52 -154.82 -116.83 132.71 0.22 99.78 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 46 E E E 32.00 16.16 16.53 33.39 121.65 -163.51 -113.53 134.95 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 47 M E E 70.86 7.46 17.04 26.17 115.62 -152.23 -106.04 123.69 1.27 98.73 0.00 1.14 0.05 0.00 0.00 0.00 0.00 98.67 0.14 48 A C C 28.34 9.90 10.50 22.24 122.51 -146.34 -84.34 167.09 81.62 18.34 0.04 81.24 0.55 0.07 0.01 0.02 0.00 17.43 0.68 49 T C T 113.30 2.02 11.22 14.74 91.42 -98.07 -62.82 -24.91 98.59 0.57 0.83 1.13 5.77 91.70 0.02 0.86 0.00 0.45 0.07 50 S C T 92.81 0.70 11.52 11.39 93.22 56.25 -85.94 -0.83 99.10 0.09 0.81 0.72 5.10 93.26 0.02 0.83 0.00 0.06 0.02 51 G C S 50.18 2.95 10.92 15.45 97.79 -103.05 87.13 4.80 98.59 0.62 0.79 19.61 77.38 1.89 0.07 0.55 0.00 0.31 0.20 52 Q C C 104.50 2.72 12.31 16.63 116.54 135.64 -80.34 140.23 97.55 2.44 0.01 97.01 0.81 0.06 0.00 0.01 0.00 1.91 0.19 53 Q E E 106.22 8.56 10.39 20.66 122.90 -149.22 -113.65 136.67 2.84 97.15 0.01 2.65 0.13 0.01 0.00 0.00 0.00 96.64 0.57 54 N E E 78.50 5.84 14.89 22.49 124.67 -174.26 -126.72 138.44 1.43 98.57 0.00 1.17 0.11 0.01 0.00 0.00 0.00 98.70 0.02 55 N E E 105.87 5.57 13.93 21.52 111.59 -123.65 -82.80 123.33 3.51 96.49 0.00 3.00 0.27 0.02 0.00 0.00 0.00 96.67 0.04 56 I E E 75.24 9.52 13.12 23.92 102.29 176.68 -104.92 -1.34 13.35 86.64 0.01 12.55 0.40 0.02 0.00 0.00 0.00 86.92 0.10 57 G E E 34.24 4.33 18.44 23.55 121.71 -121.01 88.77 -159.94 14.95 85.04 0.01 8.80 5.48 0.13 0.00 0.01 0.00 85.53 0.05 58 M E E 101.87 7.75 16.48 25.31 121.19 -16.19 -107.14 136.66 3.47 96.52 0.00 3.02 0.19 0.01 0.00 0.00 0.00 96.76 0.02 59 V E E 35.30 16.31 14.75 31.53 124.06 -168.26 -122.49 133.07 0.37 99.63 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.64 0.01 60 V E E 78.42 7.37 21.24 29.54 116.35 -150.79 -105.32 124.14 0.72 99.28 0.00 0.63 0.03 0.00 0.00 0.00 0.00 99.32 0.02 61 I E E 25.03 19.14 14.40 33.70 124.28 -174.10 -121.76 136.47 11.40 88.58 0.01 10.99 0.28 0.02 0.01 0.01 0.00 88.41 0.29 62 R C C 121.95 4.23 22.26 26.37 114.00 -117.48 -74.38 139.95 71.52 27.91 0.57 64.32 5.24 0.64 0.07 0.52 0.00 28.58 0.64 63 G H G 24.07 17.37 12.55 29.17 93.34 -121.66 -60.18 -34.54 34.10 3.00 62.90 6.80 9.73 18.07 1.32 61.53 0.00 2.23 0.31 64 N H G 118.13 2.32 20.07 22.44 92.25 64.88 -74.08 -14.33 30.66 3.51 65.83 5.94 7.56 17.29 1.48 64.58 0.01 2.87 0.28 65 S H G 43.75 9.72 16.59 27.39 95.78 59.21 -91.20 -4.86 26.33 8.97 64.69 12.03 5.66 9.65 2.17 61.25 0.00 8.87 0.36 66 I E E 28.98 21.06 10.49 30.79 112.86 99.56 -86.57 122.28 9.01 89.19 1.80 8.46 0.68 0.20 1.56 0.39 0.00 87.97 0.73 67 I E E 98.81 4.29 19.68 24.86 101.32 177.73 -96.24 -32.51 5.73 92.49 1.78 4.25 0.97 0.25 1.48 0.27 0.00 92.68 0.10 68 M E E 92.98 4.37 21.72 26.91 136.06 1.21 -151.00 148.41 2.36 95.60 2.04 1.79 0.20 0.12 1.79 0.22 0.00 95.84 0.04 69 L E E 50.95 21.17 11.86 31.57 126.17 -165.71 -132.23 132.38 4.19 92.89 2.92 3.49 0.30 0.18 2.57 0.37 0.00 92.99 0.11 70 E E E 99.43 4.33 21.31 26.32 127.49 -174.38 -130.83 143.21 12.69 82.37 4.95 10.12 1.62 0.85 3.29 1.29 0.00 82.53 0.31 71 A E E 51.88 12.28 12.40 25.08 114.99 -118.99 -79.70 136.27 28.65 64.60 6.75 23.70 3.47 1.71 3.43 2.68 0.00 64.34 0.66 72 L C C 91.84 7.40 12.32 21.10 105.43 -153.73 -91.37 -0.91 60.62 27.14 12.24 40.59 13.49 7.36 3.11 8.27 0.02 25.97 1.18 73 E C C 125.41 3.39 12.50 17.42 119.72 -28.90 -109.00 138.85 64.54 24.97 10.49 39.65 16.40 9.54 2.27 7.75 0.03 22.87 1.50 74 R C C 160.44 3.82 10.63 16.62 113.32 -127.45 -88.78 126.26 76.18 18.50 5.31 69.01 2.86 4.15 1.65 3.24 0.00 16.99 2.10 75 V C C 85.93 7.75 10.83 19.83 110.09 -162.76 -99.53 116.32 99.80 0.18 0.01 99.81 0.04 0.02 0.00 0.00 0.00 0.11 0.01