# 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 42.06 16.39 17.05 33.29 123.70 -169.30 -113.31 138.04 96.52 3.48 0.00 96.05 0.13 0.01 0.00 0.00 0.00 3.78 0.02 1 Q E E 82.71 8.40 21.18 30.08 118.47 -143.77 -102.69 130.93 7.67 92.33 0.01 7.84 0.11 0.01 0.00 0.00 0.00 91.82 0.22 2 I E E 11.34 22.00 15.05 37.27 124.63 -166.81 -119.79 136.00 1.11 98.89 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.85 0.02 3 F E E 57.88 8.94 24.49 34.46 117.08 -150.26 -105.02 128.71 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.00 4 V E E 5.69 23.94 16.47 40.89 123.03 -169.37 -117.39 134.09 0.26 99.74 0.00 0.22 0.01 0.00 0.00 0.00 0.00 99.77 0.00 5 K E E 79.44 7.78 23.75 32.07 115.63 -145.27 -101.70 124.35 1.46 98.53 0.01 1.28 0.07 0.01 0.00 0.00 0.00 98.55 0.08 6 T C C 13.09 18.56 13.67 32.57 124.38 -151.36 -90.29 167.13 66.47 33.45 0.08 65.29 0.77 0.12 0.01 0.04 0.00 32.83 0.94 7 L C T 86.08 10.53 15.20 26.49 91.52 -99.67 -63.90 -23.01 98.29 1.06 0.65 0.98 6.42 90.98 0.02 0.64 0.00 0.84 0.11 8 T C T 83.77 4.40 15.46 20.92 93.88 58.20 -87.11 -0.20 99.17 0.22 0.61 0.64 6.42 92.15 0.02 0.60 0.00 0.13 0.04 9 G C S 48.94 3.45 15.15 19.71 98.01 -101.14 88.76 4.43 98.95 0.68 0.37 14.86 82.50 1.74 0.03 0.28 0.00 0.40 0.19 10 K C C 99.88 5.55 14.82 22.19 117.96 134.37 -79.66 143.31 96.76 3.22 0.02 95.51 1.40 0.09 0.00 0.01 0.00 2.79 0.19 11 T E E 74.78 9.82 15.02 26.15 123.55 -149.37 -116.04 136.80 1.79 98.21 0.00 1.71 0.06 0.00 0.00 0.00 0.00 98.06 0.17 12 I E E 29.89 15.71 15.81 32.44 124.29 -170.54 -122.81 136.10 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 13 T E E 72.62 8.67 20.25 29.94 121.18 -154.57 -111.98 132.67 0.28 99.72 0.00 0.26 0.00 0.00 0.00 0.00 0.00 99.73 0.00 14 L E E 20.52 19.53 15.16 34.77 127.45 -175.69 -128.14 140.56 2.19 97.80 0.00 2.18 0.05 0.00 0.00 0.00 0.00 97.72 0.05 15 E E E 115.90 4.83 24.04 29.74 114.89 -138.93 -96.80 126.29 11.46 88.54 0.01 11.05 0.38 0.02 0.00 0.00 0.00 88.44 0.10 16 V E C 11.17 23.28 12.33 35.28 131.23 177.25 -131.58 151.15 48.48 51.50 0.01 48.70 0.95 0.03 0.00 0.01 0.00 47.69 2.61 17 E C C 99.21 3.87 24.46 27.73 116.45 -122.29 -86.19 143.26 98.99 1.00 0.01 99.05 0.23 0.02 0.00 0.00 0.00 0.61 0.09 18 P C T 47.02 17.98 13.18 30.68 91.14 -115.31 -60.51 -25.35 99.66 0.12 0.21 0.38 2.13 97.22 0.01 0.16 0.00 0.07 0.02 19 S C T 81.70 2.46 20.82 23.44 92.65 57.94 -89.20 -3.40 99.73 0.09 0.18 0.42 1.98 97.38 0.01 0.16 0.00 0.05 0.01 20 D C C 31.32 13.99 14.31 29.68 117.08 116.53 -70.93 144.01 98.45 1.45 0.10 72.98 25.58 0.20 0.02 0.07 0.00 0.76 0.39 21 T E B 45.18 7.08 23.99 31.50 123.43 -128.00 -87.69 160.79 15.92 83.98 0.10 12.05 0.31 0.01 0.08 0.00 0.00 3.83 83.71 22 I H H 10.19 24.43 14.47 39.37 90.51 -111.61 -58.04 -39.30 2.06 0.03 97.91 0.29 0.25 1.44 97.47 0.52 0.01 0.01 0.01 23 E H H 107.78 5.85 22.12 28.82 91.04 55.10 -62.61 -40.49 0.86 0.01 99.13 0.11 0.06 0.59 98.86 0.37 0.00 0.00 0.00 24 N H H 81.74 3.88 23.92 27.51 92.03 48.93 -65.72 -40.09 0.56 0.01 99.43 0.14 0.05 0.33 99.02 0.45 0.00 0.00 0.00 25 V H H 5.35 22.55 17.32 40.16 91.74 50.02 -64.61 -43.33 0.49 0.01 99.50 0.13 0.05 0.26 99.32 0.24 0.00 0.00 0.00 26 K H H 54.08 17.63 19.42 35.91 91.49 52.32 -62.13 -42.33 0.58 0.01 99.42 0.11 0.04 0.34 99.35 0.16 0.00 0.00 0.00 27 A H H 54.70 2.97 22.70 24.98 91.50 51.19 -63.33 -41.47 1.51 0.01 98.48 0.18 0.10 1.11 98.15 0.45 0.00 0.01 0.00 28 K H H 90.48 5.95 21.41 27.73 92.16 49.43 -66.44 -40.30 3.78 0.02 96.20 0.39 0.24 3.01 95.65 0.69 0.01 0.01 0.01 29 I H H 9.47 20.74 13.75 34.73 92.61 49.04 -66.51 -40.71 7.77 0.13 92.09 1.37 1.00 5.33 91.13 1.03 0.03 0.06 0.05 30 Q H H 77.79 10.74 15.36 26.55 92.70 53.70 -64.49 -38.49 22.12 0.50 77.38 6.08 2.77 13.24 75.70 1.69 0.06 0.24 0.23 31 D H H 116.96 1.18 17.27 17.42 93.77 51.57 -71.18 -26.91 41.72 0.43 57.85 8.02 4.98 28.09 56.14 2.32 0.05 0.19 0.21 32 K C H 116.20 6.14 13.85 21.13 99.13 53.85 -82.49 -22.14 55.83 0.74 43.43 8.29 14.88 32.62 40.37 2.99 0.10 0.25 0.50 33 E C T 106.73 7.39 13.94 22.07 101.41 27.99 -93.33 1.71 69.58 0.80 29.62 8.12 16.98 43.40 27.24 3.28 0.07 0.29 0.62 34 G C T 56.75 2.26 17.69 20.11 97.44 -106.40 77.60 12.33 99.18 0.21 0.61 39.84 15.55 43.88 0.17 0.35 0.00 0.10 0.10 35 I C C 26.68 17.49 9.60 27.13 115.69 144.64 -91.39 131.47 99.18 0.79 0.03 86.33 12.61 0.09 0.02 0.01 0.00 0.19 0.75 36 P C C 59.23 4.02 20.37 24.76 112.58 -111.71 -65.92 143.95 99.93 0.05 0.01 99.68 0.25 0.03 0.00 0.00 0.00 0.02 0.02 37 P H G 61.66 15.24 12.08 26.93 92.03 -117.76 -58.47 -34.80 11.11 0.09 88.80 1.25 0.96 6.53 0.50 90.71 0.00 0.06 0.00 38 D H G 113.65 2.29 18.68 21.47 91.02 61.38 -71.42 -13.40 11.05 0.13 88.82 0.64 0.88 7.63 0.46 90.30 0.00 0.09 0.00 39 Q H G 83.51 8.70 17.85 27.43 97.21 56.45 -96.56 0.85 11.16 0.46 88.38 2.12 1.57 5.52 0.50 89.91 0.00 0.36 0.02 40 Q C E 25.84 21.13 14.06 34.68 120.38 94.93 -98.31 137.42 51.63 47.61 0.77 44.85 6.80 0.50 0.22 0.56 0.00 45.35 1.72 41 R E E 92.22 9.54 25.96 35.83 129.46 -168.12 -129.83 143.60 7.84 92.07 0.09 7.91 0.28 0.04 0.04 0.03 0.00 90.91 0.79 42 L E E 6.53 24.63 17.98 43.12 116.11 -140.71 -99.35 129.03 2.45 97.53 0.02 2.06 0.22 0.01 0.01 0.01 0.00 97.64 0.04 43 I E E 32.13 11.65 23.93 36.68 125.14 -169.84 -119.47 137.58 0.97 99.00 0.02 0.81 0.09 0.02 0.01 0.01 0.00 99.02 0.04 44 F E E 27.30 19.64 15.40 34.80 120.26 -170.37 -124.64 123.99 1.76 98.17 0.07 1.19 0.45 0.15 0.02 0.04 0.00 97.63 0.53 45 A C T 57.25 10.36 15.96 27.23 93.75 -21.75 53.72 43.19 99.13 0.60 0.27 0.36 2.43 96.58 0.02 0.18 0.00 0.41 0.03 46 G C T 60.13 2.15 16.43 19.01 95.16 -48.84 80.87 2.50 99.71 0.14 0.16 0.44 3.00 96.32 0.01 0.12 0.00 0.09 0.01 47 K E E 117.65 3.93 16.02 21.78 123.82 105.79 -109.80 141.18 4.12 95.84 0.04 2.41 1.51 0.23 0.01 0.02 0.00 94.82 0.99 48 Q E E 113.42 5.90 16.96 24.58 114.40 -120.25 -78.99 133.38 5.67 94.31 0.03 4.96 0.48 0.05 0.01 0.01 0.00 93.46 1.02 49 L C C 18.66 22.07 9.07 30.12 115.70 -123.78 -82.32 136.54 77.66 22.30 0.04 76.74 0.90 0.09 0.01 0.02 0.00 21.61 0.63 50 E C C 127.62 2.54 20.76 23.09 119.00 -140.26 -95.31 142.78 98.65 1.24 0.11 97.53 1.04 0.30 0.02 0.06 0.00 0.69 0.37 51 D C T 99.24 7.35 14.03 22.77 107.69 -85.24 -61.20 130.37 99.20 0.28 0.52 1.20 4.12 93.94 0.07 0.41 0.00 0.15 0.11 52 G C T 51.52 3.74 17.72 22.24 96.17 20.03 86.97 -2.45 99.48 0.16 0.37 2.06 3.70 93.72 0.04 0.35 0.00 0.11 0.03 53 R C C 83.91 9.58 15.46 26.48 119.53 127.35 -79.68 146.73 95.53 4.35 0.13 77.57 18.03 0.30 0.03 0.11 0.00 2.72 1.25 54 T E B 37.80 8.98 20.96 30.95 123.14 -131.24 -89.94 157.87 17.20 82.69 0.11 12.54 0.54 0.03 0.08 0.01 0.00 6.80 80.01 55 L H G 9.32 24.64 12.89 37.85 91.35 -111.60 -59.75 -35.59 31.05 0.76 68.20 2.73 3.45 24.42 5.12 63.55 0.01 0.50 0.21 56 S H G 65.11 7.09 18.25 26.37 91.33 60.08 -64.90 -32.28 22.98 0.14 76.89 0.83 1.39 19.73 5.62 72.30 0.00 0.09 0.03 57 D H G 100.85 2.80 19.14 22.19 91.59 56.74 -71.37 -24.12 19.78 0.12 80.10 0.98 1.68 16.37 7.01 73.85 0.00 0.06 0.04 58 Y C G 49.23 17.25 12.86 29.79 98.73 51.83 -99.36 7.11 54.82 0.52 44.66 3.94 13.06 36.86 6.74 38.69 0.02 0.25 0.45 59 N C T 117.58 2.53 22.46 24.91 95.04 -120.29 59.64 40.87 96.39 1.32 2.29 17.52 5.92 73.36 0.55 1.49 0.00 0.75 0.41 60 I C C 12.55 24.56 8.82 32.35 115.55 166.13 -84.57 132.18 90.99 8.51 0.50 88.53 2.13 0.34 0.25 0.16 0.00 2.90 5.71 61 Q C C 103.55 3.30 22.19 25.34 125.73 -159.75 -109.86 159.07 96.19 3.20 0.61 94.68 1.21 0.62 0.18 0.24 0.00 1.61 1.45 62 K C T 124.65 7.63 16.03 24.60 105.38 -87.01 -63.66 135.87 93.78 2.80 3.42 3.07 12.94 78.09 0.41 2.80 0.00 2.24 0.44 63 E C T 133.16 3.78 19.36 23.60 96.34 18.20 57.56 12.03 93.96 2.87 3.18 4.53 11.40 77.65 0.28 3.00 0.00 2.95 0.20 64 S C C 21.02 15.18 14.24 30.21 118.06 132.46 -79.91 148.85 91.13 7.86 1.01 72.90 16.64 1.27 0.12 1.02 0.00 7.47 0.57 65 T E E 51.04 9.92 23.27 33.73 120.32 -136.91 -110.43 134.54 18.37 81.53 0.11 17.41 0.95 0.14 0.02 0.08 0.00 80.68 0.72 66 L E E 6.88 24.73 17.28 42.34 123.66 -166.07 -117.03 135.55 1.95 98.02 0.02 1.92 0.09 0.02 0.00 0.02 0.00 97.85 0.10 67 H E E 55.85 11.12 26.40 38.07 118.07 -154.24 -107.56 127.51 1.15 98.81 0.04 1.11 0.07 0.02 0.00 0.02 0.00 98.76 0.02 68 L E E 6.70 24.64 18.79 43.72 119.71 -162.92 -110.61 128.87 1.16 98.80 0.04 1.13 0.06 0.01 0.00 0.02 0.00 98.76 0.02 69 V E E 32.97 11.27 25.53 37.69 120.27 -165.09 -115.16 128.79 1.59 98.40 0.01 1.52 0.06 0.01 0.00 0.01 0.00 98.37 0.03 70 L E E 15.25 22.20 17.75 39.72 122.10 -166.48 -112.83 133.20 3.61 96.38 0.01 3.48 0.13 0.01 0.00 0.01 0.00 96.27 0.09 71 R E E 99.65 8.20 23.12 31.67 119.23 -157.76 -107.87 129.00 11.69 88.27 0.04 10.57 0.80 0.10 0.01 0.03 0.00 88.23 0.26 72 L E E 47.93 17.06 12.59 29.30 116.14 -145.32 -92.83 131.72 32.67 67.20 0.13 29.89 1.89 0.32 0.04 0.10 0.00 66.62 1.14 73 R C C 141.30 4.81 15.16 21.41 116.60 -155.85 -100.66 134.78 66.64 33.23 0.12 63.87 0.99 0.59 0.03 0.08 0.00 33.26 1.18 74 G C C 50.65 3.46 16.23 20.48 112.70 0.88 86.20 -36.26 99.68 0.31 0.01 99.16 0.45 0.12 0.00 0.00 0.00 0.26 0.02