# 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 51.49 16.04 18.76 34.20 124.17 -168.48 -111.94 140.19 98.83 1.17 0.00 98.84 0.09 0.01 0.00 0.00 0.00 1.05 0.01 1 T E E 60.93 10.45 21.92 32.58 128.30 -161.85 -120.17 145.05 24.28 75.71 0.01 23.78 0.45 0.04 0.00 0.01 0.00 75.04 0.69 2 G E E 9.72 14.10 20.69 35.57 144.50 123.03 172.84 -175.90 6.26 93.73 0.01 5.03 0.73 0.04 0.00 0.00 0.00 94.11 0.09 3 I E E 55.45 9.54 25.14 35.67 124.02 -81.33 -114.28 139.24 1.63 98.37 0.00 1.41 0.09 0.00 0.00 0.00 0.00 98.47 0.03 4 V E E 7.86 24.27 14.54 39.60 109.70 -119.66 -76.89 123.64 0.54 99.46 0.00 0.50 0.01 0.00 0.00 0.00 0.00 99.48 0.01 5 K E E 95.91 6.47 22.92 30.04 100.22 176.00 -95.46 -32.95 1.74 98.25 0.00 1.08 0.37 0.01 0.00 0.00 0.00 98.53 0.00 6 W E E 114.27 6.03 24.70 31.49 137.71 2.12 -154.18 147.46 1.06 98.94 0.00 0.71 0.15 0.00 0.00 0.00 0.00 99.14 0.01 7 F E E 46.78 21.70 12.76 33.25 124.29 -168.86 -130.39 128.87 0.99 99.01 0.00 0.81 0.07 0.00 0.00 0.00 0.00 99.01 0.11 8 N E E 58.56 5.80 19.29 26.51 109.58 -162.10 -116.30 103.80 12.24 87.75 0.01 11.17 0.53 0.04 0.00 0.01 0.00 87.85 0.39 9 A C T 57.93 11.31 12.00 24.33 93.15 -172.71 -65.03 -30.34 91.37 0.28 8.35 0.25 2.01 89.35 0.07 8.13 0.00 0.16 0.04 10 D C T 129.01 0.54 16.49 14.74 93.30 53.43 -69.93 -34.39 90.71 0.09 9.20 0.16 1.72 88.92 0.07 9.07 0.00 0.04 0.02 11 K C T 118.55 3.37 16.20 20.07 97.03 30.86 -97.30 -11.45 92.01 0.11 7.89 0.29 2.20 89.08 0.08 8.27 0.00 0.06 0.02 12 G C T 17.15 11.83 15.81 29.16 97.26 -123.49 73.86 15.85 94.99 4.70 0.31 7.54 5.16 81.90 0.06 0.22 0.00 4.98 0.15 13 F E E 45.92 13.33 20.91 34.89 139.05 85.32 -139.46 162.38 5.28 94.71 0.01 4.23 0.66 0.04 0.00 0.01 0.00 94.90 0.17 14 G E E 4.50 19.48 21.77 40.93 141.94 151.40 -160.94 173.95 0.85 99.15 0.00 0.63 0.08 0.00 0.00 0.00 0.00 99.26 0.01 15 F E E 42.87 14.51 25.98 40.63 128.65 -105.23 -122.67 145.58 0.62 99.38 0.00 0.51 0.03 0.00 0.00 0.00 0.00 99.44 0.02 16 I E E 4.33 25.02 18.88 44.57 123.04 -158.44 -117.28 134.84 1.48 98.52 0.00 1.31 0.06 0.00 0.00 0.00 0.00 98.54 0.10 17 T E E 39.56 10.20 24.09 35.08 119.04 -159.93 -114.00 128.59 15.32 84.68 0.00 14.52 0.42 0.01 0.00 0.00 0.00 84.81 0.23 18 P E E 16.53 17.30 13.18 31.12 117.79 -122.07 -71.41 155.88 48.25 51.40 0.35 44.04 2.46 0.73 0.07 0.32 0.00 50.76 1.62 19 D C T 103.43 4.99 15.41 21.88 92.82 -107.36 -65.60 -21.99 96.56 1.26 2.18 5.77 34.20 56.36 0.09 2.43 0.00 0.85 0.31 20 D C T 106.06 2.23 14.43 17.10 95.60 56.48 -87.80 4.18 96.81 0.72 2.47 2.94 30.19 63.53 0.10 2.57 0.00 0.41 0.26 21 G C S 46.95 5.74 11.84 18.86 98.86 -102.62 84.34 5.24 96.20 1.32 2.48 16.27 54.73 24.90 0.17 2.69 0.00 0.74 0.50 22 S C S 74.91 3.18 14.20 18.46 98.28 115.34 -81.45 -22.09 97.11 2.13 0.75 33.48 53.10 10.54 0.09 0.81 0.00 1.35 0.63 23 K C C 113.89 4.79 17.66 23.32 124.80 17.27 -116.29 145.07 88.09 11.65 0.26 58.32 28.10 1.80 0.04 0.28 0.00 10.63 0.83 24 D C C 65.85 13.28 16.96 30.01 118.06 -123.90 -86.91 141.83 58.36 41.59 0.05 54.46 2.83 0.19 0.01 0.05 0.00 41.71 0.76 25 V E E 11.56 20.16 18.57 39.09 125.43 -160.96 -122.27 137.45 5.73 94.26 0.00 4.37 1.51 0.01 0.00 0.00 0.00 93.96 0.15 26 F E E 56.96 13.54 25.56 39.15 118.29 -145.18 -101.66 130.83 0.14 99.86 0.00 0.12 0.00 0.00 0.00 0.00 0.00 99.86 0.01 27 V E E 4.28 24.79 18.99 44.25 126.21 -171.33 -123.22 140.28 0.35 99.65 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 28 H E E 55.15 9.94 25.46 36.06 113.77 -124.35 -83.65 138.18 8.87 91.12 0.01 8.87 0.19 0.01 0.00 0.00 0.00 90.68 0.24 29 F H G 46.39 20.24 15.23 34.97 91.70 -124.76 -59.31 -33.69 6.86 0.23 92.91 1.08 0.79 4.63 4.35 88.92 0.00 0.22 0.01 30 S H G 77.26 2.97 22.42 25.88 89.99 63.68 -67.56 -20.51 6.02 0.13 93.84 0.56 0.59 4.76 4.31 89.65 0.00 0.13 0.01 31 A H G 25.91 14.40 17.54 32.49 93.25 61.78 -80.43 -13.76 7.32 0.24 92.43 1.35 1.13 4.65 3.66 88.98 0.00 0.19 0.03 32 I C C 15.05 23.47 11.55 34.11 112.22 83.61 -89.71 122.03 59.85 26.43 13.72 33.61 22.53 3.68 7.80 4.77 0.18 7.97 19.45 33 Q C C 105.64 5.94 17.88 24.69 107.74 -159.89 -87.70 102.97 84.34 11.19 4.48 71.31 7.76 4.44 2.57 1.98 0.00 7.50 4.44 34 N C S 95.83 6.21 13.48 21.08 115.61 72.10 -99.95 138.12 76.88 15.76 7.36 29.02 30.13 18.75 2.54 4.31 0.11 7.65 7.49 35 D C T 113.37 2.96 14.39 18.54 101.20 -86.81 -83.81 11.37 92.41 1.33 6.26 6.36 24.09 62.09 1.17 4.75 0.00 0.73 0.80 36 G C T 46.69 5.01 15.80 21.76 99.90 30.04 11.87 -1.18 92.54 1.94 5.52 14.24 23.03 55.18 0.87 4.74 0.00 1.14 0.80 37 Y C C 62.98 17.29 10.16 26.31 111.74 115.63 -91.04 112.22 77.06 14.75 8.19 57.02 11.18 7.17 2.55 5.87 0.01 5.78 10.43 38 K C C 131.03 4.73 18.69 24.41 101.51 162.67 -91.20 -15.16 88.13 4.30 7.57 48.54 21.27 17.91 1.24 6.98 0.00 2.40 1.65 39 S C C 59.76 7.19 20.45 27.91 119.82 25.79 -113.47 130.23 89.11 4.68 6.22 52.24 19.36 16.91 1.02 5.79 0.00 2.42 2.26 40 K C C 29.93 22.99 11.35 33.01 118.33 -151.51 -98.68 135.31 96.91 2.50 0.60 91.81 4.42 0.50 0.18 0.40 0.00 0.99 1.70 41 D C C 87.93 3.69 22.72 26.65 125.41 -165.02 -114.73 148.55 99.17 0.71 0.12 97.28 1.73 0.13 0.04 0.03 0.00 0.17 0.62 42 E C T 109.85 10.00 14.51 25.29 110.02 -94.26 -61.65 134.89 99.48 0.30 0.22 0.31 1.73 97.59 0.02 0.12 0.00 0.17 0.08 43 G C T 46.37 3.98 18.79 23.51 95.64 23.42 87.19 -5.68 99.83 0.09 0.08 0.41 1.70 97.75 0.00 0.05 0.00 0.08 0.01 44 Q C C 59.33 11.59 15.17 28.04 117.04 134.34 -74.05 142.78 97.31 2.69 0.01 95.76 1.70 0.04 0.00 0.00 0.00 2.40 0.10 45 K E E 112.00 6.92 22.05 29.77 115.47 -124.41 -87.27 132.36 4.30 95.70 0.01 4.42 0.08 0.00 0.00 0.00 0.00 94.42 1.06 46 V E E 5.24 25.02 14.04 39.53 129.38 -174.96 -129.07 146.01 1.03 98.97 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.94 0.02 47 S E E 41.66 7.80 26.03 34.55 122.49 -148.19 -110.99 138.44 0.48 99.52 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 48 F E E 10.37 24.56 14.51 39.11 133.82 -176.28 -135.70 154.42 0.53 99.47 0.00 0.48 0.01 0.00 0.00 0.00 0.00 99.50 0.00 49 T E E 52.14 7.07 25.57 33.26 123.66 -141.41 -116.09 139.39 0.49 99.51 0.00 0.44 0.01 0.00 0.00 0.00 0.00 99.55 0.00 50 I E E 34.42 20.39 14.21 34.22 117.15 -142.09 -99.85 128.24 0.84 99.16 0.00 0.75 0.02 0.00 0.00 0.00 0.00 99.22 0.02 51 E E E 85.49 5.98 20.07 26.91 126.08 -174.04 -123.14 143.70 2.40 97.59 0.01 2.05 0.15 0.01 0.00 0.00 0.00 97.70 0.08 52 S E E 76.77 5.79 13.62 21.40 114.21 -121.94 -86.60 130.64 19.60 80.35 0.05 15.93 2.71 0.30 0.01 0.05 0.00 80.69 0.32 53 G C C 29.78 6.30 10.24 18.45 130.11 170.05 -121.11 -175.61 75.78 24.07 0.15 67.20 6.59 0.80 0.03 0.14 0.00 24.33 0.92 54 A C S 101.34 0.70 11.70 11.78 94.14 -79.61 -66.21 -28.25 99.08 0.44 0.47 2.71 63.46 33.07 0.02 0.38 0.00 0.28 0.08 55 K C S 164.93 1.07 12.72 13.56 101.98 21.15 -101.33 0.34 99.03 0.53 0.45 2.37 63.49 33.34 0.02 0.35 0.00 0.33 0.09 56 A C S 48.50 5.76 16.25 23.23 137.33 -30.90 -140.06 165.29 72.34 27.47 0.19 30.48 40.94 1.72 0.03 0.18 0.00 25.52 1.14 57 P C C 42.41 15.38 14.33 29.76 115.97 -69.11 -68.44 146.86 52.64 47.34 0.02 49.55 1.48 0.13 0.00 0.02 0.00 48.54 0.29 58 A E E 30.59 11.46 22.27 34.35 132.98 -173.56 -131.52 154.91 3.88 96.11 0.01 3.36 0.31 0.02 0.00 0.00 0.00 95.98 0.33 59 A E E 19.97 20.27 17.36 37.13 119.32 -114.88 -88.71 142.99 1.38 98.62 0.00 1.24 0.07 0.01 0.00 0.00 0.00 98.59 0.09 60 G E E 18.02 12.88 21.59 34.62 128.00 -157.06 -122.54 170.33 10.75 89.22 0.03 7.71 2.07 0.24 0.00 0.02 0.00 89.88 0.07 61 N E E 84.00 6.81 25.16 32.29 114.42 -47.39 -78.84 132.50 11.03 88.93 0.03 7.70 2.20 0.24 0.00 0.03 0.00 89.77 0.05 62 V E E 17.49 24.02 13.30 37.13 120.16 -158.10 -108.79 130.49 7.25 92.73 0.01 6.72 0.37 0.03 0.00 0.01 0.00 92.81 0.06 63 T E E 58.48 6.89 23.57 30.96 127.20 -173.77 -128.06 142.58 0.83 99.16 0.00 0.75 0.04 0.00 0.00 0.00 0.00 99.16 0.05 64 S E E 52.30 12.28 15.57 28.06 113.78 -115.82 -75.10 138.46 3.77 96.22 0.01 3.67 0.10 0.01 0.00 0.00 0.00 96.07 0.15 65 L C C 70.26 12.05 15.79 27.95 107.64 -151.11 -89.02 99.89 99.01 0.99 0.00 99.08 0.04 0.01 0.00 0.00 0.00 0.86 0.01