# 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 T C C 81.22 5.92 12.85 20.20 115.11 145.63 -102.02 137.69 99.94 0.06 0.01 99.89 0.05 0.02 0.00 0.00 0.00 0.03 0.00 1 D C C 103.29 4.22 11.18 17.17 110.76 -154.56 -92.15 110.20 94.49 4.81 0.70 91.39 0.95 2.42 0.19 0.30 0.00 4.04 0.70 2 K C C 126.52 4.42 11.85 18.08 116.32 -158.97 -98.05 131.69 82.78 15.96 1.27 62.46 14.73 4.69 0.28 1.09 0.00 15.45 1.31 3 I C C 90.80 9.23 11.27 21.63 118.93 -155.59 -101.45 135.06 67.61 31.69 0.70 56.22 8.29 1.59 0.17 0.55 0.00 32.18 1.01 4 R E E 100.12 9.43 15.46 25.94 123.21 -163.65 -113.95 138.31 39.53 60.02 0.45 34.98 3.20 0.72 0.11 0.32 0.00 59.90 0.78 5 T E E 69.64 9.44 17.31 27.70 121.40 -152.72 -111.71 133.96 25.50 74.32 0.18 22.12 2.64 0.35 0.04 0.13 0.00 74.19 0.54 6 L E E 29.54 16.95 15.72 33.08 126.95 -171.94 -124.23 141.89 13.34 86.55 0.10 11.97 0.98 0.15 0.03 0.06 0.00 86.43 0.37 7 Q E E 89.42 7.94 22.95 31.48 122.26 -153.04 -111.66 135.69 8.50 91.44 0.05 7.47 0.65 0.09 0.01 0.03 0.00 91.53 0.21 8 G E E 8.45 18.90 16.93 35.74 142.66 151.87 -157.81 172.24 3.60 96.39 0.02 2.76 0.53 0.05 0.00 0.01 0.00 96.61 0.04 9 R E E 108.28 6.34 24.78 31.99 125.20 -106.53 -120.10 140.90 1.32 98.67 0.01 1.11 0.08 0.01 0.00 0.00 0.00 98.76 0.03 10 V E E 25.11 21.30 13.45 34.74 109.69 -116.65 -76.26 126.08 1.57 98.42 0.01 1.41 0.06 0.01 0.00 0.00 0.00 98.47 0.06 11 V E E 70.06 6.50 20.69 28.06 102.49 175.86 -100.25 -23.02 6.45 93.49 0.06 4.98 1.27 0.13 0.01 0.03 0.00 93.38 0.19 12 S E E 53.19 6.52 19.20 26.67 135.95 0.43 -148.62 150.74 23.47 76.34 0.19 15.67 7.03 0.80 0.04 0.14 0.00 75.95 0.38 13 D C C 67.52 12.58 12.09 24.87 116.48 -166.04 -123.62 113.84 61.63 37.91 0.46 49.57 8.49 1.68 0.08 0.42 0.00 39.09 0.68 14 K C S 140.71 3.22 15.21 19.35 101.92 167.47 -93.42 9.01 77.02 21.59 1.38 26.61 37.59 13.12 0.15 1.34 0.00 19.92 1.26 15 M C S 93.24 5.76 11.79 19.11 118.67 101.48 -104.21 154.91 75.34 22.28 2.38 27.52 32.33 16.55 0.37 2.19 0.02 16.19 4.83 16 E C T 153.96 1.69 14.97 16.97 97.61 -97.39 -66.14 -24.06 97.89 0.74 1.37 5.18 39.11 53.72 0.11 1.22 0.00 0.46 0.20 17 K C T 116.66 7.16 14.97 22.90 99.71 19.89 -100.53 4.67 97.77 1.33 0.90 3.86 40.06 54.01 0.05 0.83 0.00 1.03 0.16 18 S E E 22.77 11.89 16.50 29.95 136.49 56.05 -138.26 155.33 28.94 70.86 0.21 21.41 6.86 1.08 0.03 0.18 0.00 69.57 0.86 19 I E E 14.25 18.41 17.16 36.55 126.19 -154.11 -122.23 141.26 5.55 94.45 0.00 4.99 0.18 0.01 0.00 0.00 0.00 94.75 0.07 20 V E E 30.76 10.92 23.98 36.34 118.48 -150.12 -109.21 128.45 0.43 99.57 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 21 V E E 6.43 22.53 17.91 41.02 121.11 -166.68 -114.41 130.50 0.10 99.90 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 22 A E E 23.13 10.42 23.98 35.70 118.75 -157.39 -106.30 131.55 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 23 I E E 14.11 19.64 16.66 36.79 123.86 -169.94 -120.46 135.37 0.33 99.67 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 24 E E E 80.42 8.45 20.66 29.79 117.57 -143.23 -100.37 129.98 1.26 98.74 0.00 1.09 0.05 0.00 0.00 0.00 0.00 98.85 0.01 25 R E E 63.08 13.11 15.26 29.18 130.95 167.53 -133.27 150.68 1.96 98.04 0.00 1.74 0.06 0.00 0.00 0.00 0.00 98.17 0.02 26 F E E 104.52 7.36 16.89 25.44 117.06 -129.23 -97.02 130.84 1.50 98.50 0.00 1.32 0.05 0.00 0.00 0.00 0.00 98.61 0.02 27 V E E 41.46 11.16 13.86 26.70 126.61 -174.95 -127.49 145.09 1.08 98.92 0.00 0.90 0.05 0.00 0.00 0.00 0.00 99.02 0.02 28 K E E 121.43 4.09 14.76 20.32 114.65 -122.49 -89.72 128.91 2.14 97.86 0.01 1.93 0.12 0.01 0.00 0.00 0.00 97.72 0.22 29 H C C 46.51 11.45 7.86 20.65 110.11 -141.56 -90.04 118.27 53.69 46.26 0.05 52.57 0.64 0.09 0.01 0.02 0.00 46.03 0.63 30 P C T 109.35 1.45 11.79 13.88 92.97 -147.61 -64.44 -27.94 97.70 0.23 2.07 0.44 2.72 94.65 0.07 1.90 0.00 0.15 0.06 31 I C T 133.33 1.27 11.09 12.72 97.97 47.57 -76.91 -38.89 98.07 0.16 1.77 0.20 2.16 95.92 0.04 1.53 0.00 0.08 0.05 32 Y C T 137.10 2.82 10.27 14.39 101.24 24.63 -104.98 -10.83 98.48 0.13 1.39 0.36 2.05 96.25 0.05 1.18 0.00 0.07 0.03 33 G C T 53.32 2.41 11.15 15.04 95.92 -125.80 74.32 10.22 98.97 0.73 0.30 43.69 5.48 49.80 0.06 0.19 0.00 0.69 0.09 34 K C C 108.87 3.21 11.98 16.97 125.42 123.11 -110.15 152.68 54.99 44.99 0.02 50.89 2.40 0.13 0.00 0.02 0.00 46.17 0.39 35 F E E 116.91 7.53 11.35 20.52 117.88 -124.57 -95.68 135.84 0.80 99.20 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.22 0.04 36 I E E 61.00 8.76 13.33 24.12 123.59 -167.59 -119.79 138.21 0.23 99.77 0.00 0.21 0.00 0.00 0.00 0.00 0.00 99.78 0.00 37 K E E 120.20 7.05 14.19 23.13 119.69 -146.22 -101.50 134.43 0.28 99.72 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.76 0.00 38 R E E 89.78 9.24 14.44 25.20 129.31 -177.53 -130.13 146.52 0.57 99.43 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.00 39 T E E 72.72 8.54 15.69 25.63 121.97 -147.81 -113.23 138.13 1.37 98.63 0.00 1.23 0.03 0.00 0.00 0.00 0.00 98.73 0.01 40 T E E 33.41 13.58 15.05 29.65 128.71 -176.06 -127.24 146.95 1.46 98.54 0.00 1.37 0.04 0.00 0.00 0.00 0.00 98.57 0.02 41 K E E 108.77 7.65 20.31 28.99 118.23 -138.85 -104.50 130.69 2.81 97.18 0.00 2.62 0.14 0.01 0.00 0.00 0.00 97.19 0.04 42 L E E 14.71 21.25 15.96 37.31 124.26 -169.61 -116.54 135.79 4.02 95.98 0.00 3.89 0.12 0.00 0.00 0.00 0.00 95.90 0.09 43 H E E 71.97 9.69 25.16 35.31 118.09 -149.21 -97.68 135.02 5.79 94.21 0.00 5.66 0.17 0.01 0.00 0.00 0.00 93.92 0.25 44 V E E 6.43 24.51 17.06 41.89 127.73 -172.19 -127.01 140.27 17.67 82.30 0.02 17.28 0.47 0.04 0.01 0.01 0.00 81.42 0.77 45 H E E 67.90 9.17 24.55 34.26 117.26 -151.51 -104.60 127.85 28.55 71.36 0.08 25.85 2.12 0.22 0.03 0.07 0.00 67.46 4.26 46 D C C 19.18 19.54 13.27 32.53 111.97 -170.94 -117.49 100.42 84.97 14.77 0.26 81.39 2.97 0.61 0.06 0.19 0.00 13.12 1.66 47 E C T 124.73 4.23 17.26 22.83 94.95 -173.02 -69.24 -27.80 95.73 1.47 2.80 20.02 19.82 55.26 0.20 3.28 0.00 1.01 0.41 48 N C T 112.09 2.02 17.95 19.46 96.57 37.63 -94.57 4.23 96.47 0.62 2.91 4.48 31.34 60.39 0.14 3.05 0.00 0.36 0.23 49 N C S 81.45 11.88 13.54 25.83 94.70 -117.98 63.51 31.49 95.65 2.40 1.95 28.07 58.95 8.36 0.18 2.10 0.00 1.32 1.01 50 E C C 111.62 4.75 22.37 27.43 106.31 126.55 -94.94 47.57 93.48 6.06 0.46 87.03 4.62 1.59 0.14 0.35 0.00 2.71 3.56 51 C C C 9.42 24.19 11.27 34.80 125.48 129.98 -118.30 148.39 93.12 6.69 0.19 90.90 2.35 0.46 0.06 0.12 0.00 3.74 2.37 52 G C C 30.41 4.88 25.48 30.50 137.64 -171.18 -138.03 170.50 94.31 5.58 0.11 92.00 2.52 0.45 0.03 0.06 0.00 2.42 2.52 53 I C T 96.36 10.54 17.04 28.08 110.24 -66.50 -60.62 133.64 99.43 0.45 0.13 0.21 2.31 97.11 0.01 0.07 0.00 0.19 0.10 54 G C T 38.77 5.32 20.46 26.83 96.69 25.47 89.34 -6.82 99.88 0.08 0.04 0.37 2.19 97.35 0.00 0.03 0.00 0.05 0.01 55 D C C 29.35 14.85 16.87 32.85 117.92 133.15 -71.36 145.82 96.29 3.71 0.00 95.08 1.41 0.02 0.00 0.00 0.00 3.41 0.08 56 V E E 53.03 10.05 24.35 35.12 117.01 -131.64 -99.19 131.66 0.73 99.27 0.00 0.74 0.01 0.00 0.00 0.00 0.00 99.15 0.10 57 V E E 4.06 25.57 16.17 42.40 129.92 -174.20 -126.57 149.62 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 58 E E E 61.48 8.57 26.74 36.37 118.12 -132.12 -100.51 132.78 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 59 I E E 8.90 24.92 15.69 40.94 120.16 -157.73 -110.85 131.72 0.19 99.81 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.82 0.00 60 R E E 92.09 7.53 24.41 32.38 131.62 -174.59 -130.97 151.39 0.54 99.45 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.50 0.01 61 E E E 93.20 11.27 18.25 29.59 114.39 -108.08 -74.38 137.96 2.70 97.29 0.01 2.39 0.15 0.01 0.00 0.00 0.00 97.36 0.08 62 C E E 27.91 15.19 12.51 28.12 130.67 -172.17 -125.66 156.83 44.54 55.38 0.08 41.41 1.89 0.14 0.02 0.05 0.00 55.85 0.64 63 R C C 163.15 2.04 17.82 19.89 114.45 -100.52 -88.77 137.18 72.68 26.98 0.35 50.67 19.84 1.58 0.07 0.31 0.00 26.56 0.96 64 P C C 66.00 11.10 9.48 21.16 112.87 -107.72 -67.28 141.62 82.52 16.34 1.15 64.51 13.94 3.84 0.27 0.93 0.00 14.59 1.92 65 L C S 119.65 2.78 12.22 16.25 97.40 -159.31 -81.32 -29.08 87.36 11.40 1.24 26.21 51.80 9.97 0.23 1.07 0.00 7.99 2.73 66 S C S 56.04 2.95 13.10 17.03 134.39 6.30 -145.33 166.32 87.07 11.52 1.40 21.58 54.06 11.72 0.25 1.19 0.00 7.19 4.01 67 K C S 171.66 1.26 11.63 13.80 92.41 -100.87 -65.26 -22.36 98.38 0.55 1.07 2.86 62.64 33.16 0.09 0.77 0.00 0.30 0.17 68 T C S 98.15 2.39 13.85 16.82 99.82 50.58 -94.77 -10.58 96.88 2.38 0.74 4.10 61.92 31.21 0.06 0.60 0.00 1.76 0.34 69 K C C 75.90 10.62 13.81 25.41 120.24 51.33 -115.56 127.51 62.04 37.56 0.40 49.10 10.46 2.11 0.09 0.39 0.00 34.26 3.58 70 S E E 21.37 12.82 17.58 31.90 130.15 171.56 -124.74 153.15 40.98 58.97 0.06 35.81 3.63 0.26 0.01 0.05 0.00 59.53 0.72 71 W E E 26.95 19.82 17.63 37.64 127.59 -146.68 -123.03 145.17 9.45 90.54 0.01 8.36 0.50 0.03 0.00 0.00 0.00 90.97 0.13 72 T E E 35.47 10.46 24.79 36.22 122.45 -153.06 -117.82 134.71 0.71 99.28 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.30 0.02 73 L E E 19.24 21.39 15.51 37.34 109.47 -118.25 -75.91 124.06 0.49 99.50 0.00 0.49 0.01 0.00 0.00 0.00 0.00 99.48 0.02 74 V E E 61.89 7.97 21.04 29.99 101.17 175.62 -96.75 -33.08 1.46 98.53 0.01 1.07 0.21 0.02 0.00 0.01 0.00 98.68 0.01 75 R E E 113.63 3.84 23.78 28.00 137.01 -3.21 -150.88 148.72 1.05 98.93 0.02 0.82 0.10 0.01 0.00 0.01 0.00 99.06 0.01 76 V E E 50.15 17.74 12.72 29.89 110.74 -127.01 -88.30 121.28 1.72 98.25 0.02 1.66 0.05 0.01 0.01 0.01 0.00 98.23 0.04 77 V E E 67.71 7.03 17.28 25.72 101.60 177.11 -93.46 -33.52 12.26 87.53 0.20 9.66 2.20 0.27 0.05 0.11 0.00 87.47 0.24 78 E E E 101.55 4.44 18.75 24.24 135.48 -0.05 -148.86 149.54 19.27 80.00 0.73 15.37 3.49 0.92 0.16 0.52 0.00 79.06 0.48 79 K E E 112.76 10.69 12.11 23.62 120.30 -150.73 -110.47 133.50 48.54 49.26 2.20 37.45 7.82 2.80 0.35 1.75 0.00 49.08 0.75 80 A C C 48.12 8.75 11.07 21.29 118.13 -142.38 -96.79 144.03 69.94 27.57 2.48 52.00 12.34 4.33 0.36 2.26 0.00 27.64 1.06 81 V C C 111.80 2.90 11.63 16.30 114.87 -136.30 -96.45 129.18 75.23 22.85 1.92 71.20 1.42 2.20 0.33 1.54 0.00 21.04 2.26 82 L C C 100.08 7.51 10.86 19.61 109.85 -136.87 -84.43 119.83 99.84 0.16 0.00 99.84 0.04 0.01 0.00 0.00 0.00 0.09 0.01