# 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 119.33 4.53 11.06 17.06 110.13 58.41 -90.54 116.03 99.82 0.09 0.09 99.74 0.09 0.06 0.06 0.00 0.00 0.04 0.01 1 E C C 129.88 3.22 9.61 14.50 111.10 62.34 -88.80 120.58 72.34 2.31 25.35 65.65 1.53 6.17 20.08 4.30 0.00 1.43 0.84 2 E C C 123.59 4.08 9.12 14.82 112.44 -147.67 -89.36 128.45 66.75 3.05 30.20 47.37 9.65 9.43 23.27 7.38 0.01 1.87 1.02 3 K C C 129.61 4.22 10.23 16.04 107.49 -157.97 -87.50 100.43 61.47 3.18 35.35 44.81 8.48 8.10 25.70 9.86 0.01 2.00 1.02 4 R C C 143.09 4.97 10.29 16.80 104.23 103.97 -83.44 14.42 55.65 2.60 41.75 35.56 9.58 10.79 28.48 13.10 0.03 1.52 0.93 5 N C C 104.87 3.97 11.95 17.23 102.98 59.22 -86.13 25.59 60.93 2.08 36.98 32.49 12.46 16.28 23.50 13.22 0.05 1.11 0.88 6 L C C 90.21 7.33 10.90 19.53 106.06 91.73 -84.91 64.24 66.92 2.88 30.20 37.21 14.71 15.54 17.58 12.17 0.04 1.56 1.19 7 R C C 135.37 6.55 12.97 20.85 107.37 96.23 -86.88 75.20 78.49 6.43 15.08 50.18 17.02 11.63 8.92 6.01 0.02 4.75 1.47 8 K C C 106.36 7.22 15.75 23.91 116.76 105.15 -95.44 138.41 72.66 19.46 7.87 49.88 14.75 8.00 3.64 3.94 0.01 18.49 1.30 9 E C C 95.07 10.75 16.42 27.61 119.08 -137.85 -96.20 134.53 56.34 41.10 2.56 46.23 6.88 2.15 1.13 1.31 0.00 41.13 1.18 10 R E E 57.63 15.70 17.16 32.87 126.03 -169.47 -120.72 143.05 28.63 70.77 0.60 25.52 2.11 0.55 0.22 0.31 0.00 70.35 0.93 11 I E E 66.20 10.93 23.12 34.25 120.48 -140.57 -104.63 132.31 14.37 85.55 0.08 12.89 0.93 0.12 0.03 0.04 0.00 85.58 0.41 12 G E E 5.75 20.54 18.22 38.40 140.59 158.22 -149.24 167.74 4.55 95.43 0.02 3.55 0.59 0.07 0.00 0.01 0.00 95.73 0.05 13 V E E 56.40 8.25 25.30 34.48 123.78 -109.55 -116.87 136.84 1.29 98.70 0.01 1.11 0.07 0.01 0.00 0.00 0.00 98.78 0.04 14 V E E 22.18 21.26 14.00 35.49 109.81 -118.50 -77.54 124.35 1.58 98.41 0.02 1.40 0.06 0.01 0.00 0.01 0.00 98.47 0.05 15 T E E 66.65 6.05 20.76 27.66 101.97 175.08 -100.11 -26.14 6.46 93.46 0.08 4.63 1.44 0.20 0.01 0.05 0.00 93.54 0.13 16 S E E 55.54 4.94 20.86 26.59 137.46 1.78 -150.75 152.75 17.97 81.83 0.21 10.84 6.26 0.91 0.04 0.14 0.00 81.53 0.29 17 N E E 66.30 14.05 11.44 25.32 115.28 -166.11 -125.81 115.88 47.61 51.93 0.46 40.09 5.13 1.06 0.09 0.35 0.00 52.64 0.63 18 K C E 138.32 3.26 15.50 19.78 101.44 174.36 -91.63 -13.56 63.64 34.67 1.69 21.51 30.86 12.09 0.17 1.57 0.01 32.58 1.21 19 M C S 92.14 5.92 12.11 19.55 120.29 63.59 -104.68 157.86 64.37 32.98 2.66 16.56 29.03 20.96 0.34 2.41 0.03 26.35 4.32 20 D C T 121.37 1.77 15.41 17.52 96.31 -95.05 -65.63 -18.18 98.16 0.57 1.27 4.01 31.40 62.78 0.09 1.20 0.00 0.36 0.16 21 K C T 114.65 7.88 14.99 23.52 99.35 18.37 -102.27 8.61 98.61 0.67 0.72 2.80 32.36 63.52 0.03 0.70 0.00 0.49 0.10 22 S E E 21.57 12.29 16.79 30.62 134.98 62.28 -134.41 155.09 21.94 77.96 0.09 15.56 5.97 0.64 0.02 0.08 0.00 76.93 0.81 23 I E E 12.79 18.94 17.50 37.39 123.34 -147.67 -115.79 135.88 3.65 96.34 0.00 3.30 0.11 0.00 0.00 0.00 0.00 96.54 0.05 24 V E E 28.74 11.16 24.02 36.66 118.37 -151.68 -108.92 128.63 0.39 99.61 0.00 0.34 0.01 0.00 0.00 0.00 0.00 99.65 0.00 25 I E E 8.07 21.90 17.94 40.46 120.60 -166.06 -112.88 130.97 0.12 99.88 0.00 0.11 0.00 0.00 0.00 0.00 0.00 99.89 0.00 26 S E E 24.62 10.97 22.51 34.68 122.48 -161.90 -110.90 137.68 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.87 0.00 27 E E E 28.40 16.08 17.02 33.90 126.26 -171.38 -124.65 138.83 0.32 99.68 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 28 V E E 60.76 9.20 18.32 28.73 118.63 -145.56 -104.29 129.87 1.38 98.61 0.00 1.22 0.05 0.00 0.00 0.00 0.00 98.72 0.01 29 R E E 78.58 10.49 15.15 26.90 128.45 -177.63 -130.14 147.80 2.22 97.77 0.00 1.99 0.08 0.01 0.00 0.00 0.00 97.91 0.02 30 K E E 113.95 6.45 15.55 23.49 116.76 -129.01 -98.76 130.96 2.19 97.81 0.00 1.94 0.07 0.00 0.00 0.00 0.00 97.96 0.02 31 V E E 45.68 9.93 13.40 25.19 128.30 -174.83 -130.19 147.62 1.65 98.34 0.00 1.40 0.08 0.01 0.00 0.00 0.00 98.48 0.03 32 K E E 124.59 3.75 14.08 19.32 114.78 -121.84 -87.95 130.32 2.36 97.63 0.01 2.12 0.14 0.01 0.00 0.00 0.00 97.38 0.34 33 H C C 47.12 11.03 7.64 20.07 110.20 -138.80 -91.67 117.98 54.92 45.03 0.05 53.83 0.65 0.09 0.01 0.03 0.00 44.77 0.62 34 P C T 110.93 1.30 11.49 13.35 93.00 -147.24 -63.70 -28.20 97.19 0.21 2.60 0.44 2.52 94.31 0.08 2.46 0.00 0.13 0.05 35 L C T 134.20 1.04 10.76 12.00 97.12 48.79 -75.11 -37.37 97.55 0.15 2.30 0.21 2.06 95.44 0.05 2.11 0.00 0.08 0.05 36 Y C T 139.05 2.63 10.10 13.98 101.00 24.54 -105.16 -11.02 98.04 0.17 1.79 0.39 2.36 95.38 0.05 1.68 0.00 0.10 0.04 37 G C T 52.91 2.38 10.98 14.86 95.72 -124.13 74.34 10.17 99.00 0.69 0.31 44.69 5.65 48.66 0.06 0.20 0.00 0.63 0.10 38 K C C 110.08 3.03 11.86 16.66 125.53 119.72 -112.42 152.48 57.42 42.55 0.03 53.03 2.63 0.15 0.00 0.02 0.00 43.71 0.46 39 F E E 115.73 7.55 10.99 20.18 117.04 -118.53 -92.00 135.61 1.05 98.95 0.00 0.95 0.03 0.00 0.00 0.00 0.00 98.95 0.06 40 V E E 56.47 7.79 13.23 23.17 123.62 -168.90 -120.83 138.91 0.31 99.69 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 41 L E E 97.62 7.38 13.39 22.44 117.05 -136.20 -97.23 132.25 0.30 99.70 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 42 K E E 85.63 8.02 14.61 24.27 128.03 -176.75 -129.98 144.34 0.36 99.64 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.68 0.00 43 T E E 73.41 9.19 14.12 24.66 123.57 -150.08 -115.24 139.61 0.92 99.08 0.00 0.83 0.01 0.00 0.00 0.00 0.00 99.15 0.00 44 K E E 77.24 10.02 15.77 26.98 129.02 -176.41 -131.13 145.07 1.17 98.83 0.00 1.07 0.04 0.00 0.00 0.00 0.00 98.87 0.02 45 K E E 111.74 7.86 18.11 27.27 119.14 -138.19 -102.91 133.32 3.20 96.79 0.00 2.98 0.15 0.01 0.00 0.00 0.00 96.83 0.04 46 Y E E 30.01 18.24 16.14 34.68 129.81 -173.35 -129.29 146.21 5.24 94.76 0.00 4.90 0.22 0.01 0.00 0.00 0.00 94.76 0.10 47 V E E 50.48 10.65 24.17 35.35 120.90 -145.15 -108.43 136.26 6.36 93.63 0.00 6.06 0.29 0.02 0.00 0.00 0.00 93.25 0.37 48 A E E 4.64 24.03 17.05 41.40 125.33 -167.61 -118.47 141.68 16.22 83.76 0.02 15.62 0.56 0.04 0.01 0.01 0.00 82.86 0.90 49 H E E 67.63 9.51 24.48 34.50 119.17 -152.22 -112.46 130.04 27.36 72.56 0.08 24.59 2.31 0.19 0.02 0.06 0.00 68.89 3.93 50 D C C 20.30 19.48 13.54 32.74 112.35 -170.69 -114.85 104.88 84.29 15.40 0.31 80.42 3.05 0.66 0.08 0.22 0.00 13.83 1.74 51 E C T 126.93 3.99 17.61 22.95 94.13 -168.73 -71.64 -23.55 95.74 1.00 3.26 21.53 27.85 45.85 0.21 3.63 0.00 0.64 0.29 52 T C T 92.88 2.53 17.64 19.95 100.56 37.56 -96.99 -0.97 96.32 0.55 3.13 5.65 38.94 51.48 0.14 3.27 0.00 0.31 0.21 53 N C S 78.75 12.02 13.48 25.66 96.75 -112.80 61.22 31.81 96.41 1.65 1.94 25.54 61.56 9.04 0.15 2.10 0.00 0.87 0.74 54 D C C 94.41 3.98 22.25 26.51 104.73 112.07 -97.13 72.68 96.28 3.39 0.33 89.36 4.93 1.89 0.08 0.27 0.00 1.59 1.87 55 C C C 9.16 24.44 10.13 33.71 124.14 135.07 -113.05 144.36 92.84 7.07 0.09 91.75 1.80 0.22 0.03 0.05 0.00 3.07 3.08 56 N C C 87.08 3.24 25.09 28.29 131.08 -164.11 -123.47 159.78 96.16 3.81 0.03 95.70 1.15 0.09 0.01 0.01 0.00 1.33 1.71 57 I C T 90.46 12.05 16.02 28.27 109.80 -80.24 -59.79 134.31 99.68 0.24 0.08 0.11 1.49 98.22 0.00 0.04 0.00 0.10 0.04 58 G C T 38.86 5.22 20.39 26.65 96.83 26.20 90.25 -7.13 99.93 0.04 0.03 0.20 1.43 98.32 0.00 0.02 0.00 0.02 0.00 59 D C C 29.43 14.66 16.76 32.62 117.57 131.77 -71.05 146.03 97.28 2.72 0.00 96.53 1.02 0.01 0.00 0.00 0.00 2.38 0.06 60 T E E 46.75 10.10 24.29 35.12 118.12 -132.11 -100.76 135.24 0.66 99.34 0.00 0.68 0.01 0.00 0.00 0.00 0.00 99.20 0.11 61 V E E 4.00 25.54 16.48 42.66 131.97 -175.03 -130.77 151.93 0.06 99.94 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 62 R E E 83.54 9.04 26.96 36.91 117.98 -129.69 -101.64 132.78 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.95 0.00 63 I E E 9.55 24.62 16.59 41.44 119.08 -152.30 -105.46 130.45 0.28 99.72 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.00 64 S E E 30.28 9.61 24.05 34.35 136.29 172.62 -137.58 158.26 1.08 98.92 0.00 0.93 0.04 0.00 0.00 0.00 0.00 99.00 0.02 65 E E E 92.19 11.35 19.09 30.39 115.62 -108.47 -79.45 137.60 3.87 96.12 0.01 3.51 0.21 0.02 0.00 0.00 0.00 96.13 0.13 66 T E E 31.86 14.94 12.99 28.32 130.53 -173.67 -124.99 156.06 43.58 56.34 0.08 40.30 2.07 0.16 0.02 0.05 0.00 56.75 0.66 67 R C C 164.10 2.07 17.80 19.91 114.21 -103.20 -85.41 136.95 74.28 25.43 0.29 50.09 21.72 1.66 0.05 0.28 0.00 25.35 0.84 68 P C C 64.92 11.23 9.51 21.25 112.52 -106.28 -67.24 141.26 84.15 14.83 1.02 66.68 13.25 3.92 0.22 0.86 0.00 13.42 1.65 69 L C S 119.09 2.75 12.34 16.36 97.88 -161.04 -82.00 -29.39 87.89 10.95 1.16 26.93 51.35 10.31 0.21 1.03 0.01 7.52 2.65 70 S C S 54.81 2.94 13.51 17.33 134.78 5.20 -145.61 167.33 88.37 10.42 1.21 24.13 53.93 10.75 0.21 1.05 0.00 6.20 3.73 71 K C S 167.89 1.70 11.73 14.71 92.15 -101.22 -65.22 -22.58 98.34 0.55 1.11 2.66 64.58 31.35 0.09 0.84 0.00 0.30 0.18 72 T C S 97.40 2.48 14.61 17.68 99.83 48.35 -95.34 -11.69 97.25 2.00 0.76 3.65 63.90 30.03 0.05 0.64 0.00 1.45 0.29 73 K C E 72.32 10.98 14.47 26.41 120.60 47.44 -115.96 126.00 52.33 47.25 0.42 40.91 9.42 1.94 0.08 0.40 0.00 43.75 3.49 74 C E E 21.40 13.84 17.77 33.05 130.08 166.97 -125.55 148.82 27.86 72.10 0.04 24.64 2.21 0.15 0.01 0.03 0.00 72.14 0.82 75 W E E 20.84 20.47 18.11 38.90 125.47 -150.25 -118.40 142.16 7.91 92.09 0.00 6.86 0.52 0.03 0.00 0.00 0.00 92.50 0.10 76 R E E 77.73 10.15 25.58 36.20 123.13 -154.51 -116.63 135.18 0.72 99.28 0.00 0.65 0.02 0.00 0.00 0.00 0.00 99.31 0.02 77 L E E 17.15 22.01 15.25 37.74 109.64 -116.58 -73.74 125.64 0.32 99.68 0.00 0.32 0.00 0.00 0.00 0.00 0.00 99.67 0.01 78 V E E 61.42 7.90 21.31 30.20 101.27 175.96 -98.02 -32.36 0.88 99.12 0.00 0.61 0.13 0.01 0.00 0.00 0.00 99.24 0.00 79 E E E 89.20 4.31 24.09 28.78 138.29 -2.44 -152.12 149.58 0.37 99.62 0.00 0.29 0.03 0.00 0.00 0.00 0.00 99.67 0.00 80 I E E 55.41 18.06 13.27 30.73 111.59 -129.48 -91.33 120.10 0.41 99.59 0.00 0.41 0.00 0.00 0.00 0.00 0.00 99.57 0.00 81 L E E 74.26 7.13 17.69 26.16 101.76 177.36 -93.92 -33.00 2.81 97.18 0.01 2.24 0.28 0.02 0.00 0.00 0.00 97.42 0.03 82 E E E 100.66 4.51 19.63 25.03 133.14 -2.09 -148.53 147.50 6.38 93.57 0.05 5.21 0.80 0.12 0.01 0.03 0.00 93.66 0.16 83 R E E 115.93 12.52 11.82 24.48 119.43 -146.50 -106.40 134.26 31.26 68.37 0.38 27.53 2.64 0.76 0.09 0.29 0.00 67.77 0.91 84 A C C 47.21 9.43 10.41 21.12 115.30 -123.04 -77.27 148.22 88.06 11.54 0.40 84.89 1.54 1.52 0.06 0.31 0.00 11.06 0.62 85 K C C 162.03 1.66 15.22 17.25 108.07 -111.23 -76.76 127.06 99.86 0.13 0.01 99.74 0.12 0.04 0.00 0.00 0.00 0.08 0.01