# 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 41.34 16.43 16.99 33.28 123.75 -168.51 -113.56 138.01 96.70 3.30 0.00 96.29 0.12 0.01 0.00 0.00 0.00 3.55 0.02 1 Q E E 82.49 8.37 21.16 30.05 117.94 -143.44 -100.87 130.74 8.39 91.60 0.01 8.58 0.11 0.01 0.00 0.00 0.00 91.06 0.24 2 I E E 11.41 21.92 15.05 37.20 124.08 -166.73 -119.89 136.38 1.39 98.61 0.00 1.35 0.05 0.00 0.00 0.00 0.00 98.57 0.02 3 F E E 57.35 8.99 24.46 34.49 117.20 -151.20 -105.05 128.74 0.29 99.71 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.70 0.00 4 V E E 5.82 23.85 16.47 40.78 122.86 -169.10 -116.92 133.73 0.28 99.72 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.74 0.00 5 K E E 80.00 7.73 23.67 31.93 115.67 -145.36 -101.85 124.36 1.57 98.42 0.01 1.39 0.08 0.01 0.00 0.00 0.00 98.43 0.09 6 T C C 13.59 18.40 13.54 32.27 124.39 -151.83 -90.76 166.62 66.71 33.21 0.08 65.32 0.81 0.13 0.02 0.05 0.00 32.71 0.96 7 L C T 88.12 10.16 15.09 26.06 91.53 -99.42 -63.86 -23.14 98.26 1.08 0.66 1.05 6.85 90.44 0.02 0.66 0.00 0.87 0.12 8 T C T 84.47 4.28 15.30 20.63 93.94 58.06 -87.14 -0.20 99.16 0.23 0.61 0.69 6.90 91.59 0.02 0.61 0.00 0.14 0.04 9 G C S 49.28 3.36 15.07 19.52 98.27 -100.74 88.82 4.47 98.87 0.76 0.37 15.27 81.98 1.77 0.03 0.29 0.00 0.45 0.21 10 K C C 99.95 5.54 14.71 22.09 117.92 134.42 -79.58 143.35 96.72 3.26 0.02 95.43 1.43 0.09 0.00 0.01 0.00 2.85 0.19 11 T E E 75.12 9.72 14.98 26.04 123.68 -149.62 -116.82 136.84 1.89 98.11 0.00 1.80 0.06 0.00 0.00 0.00 0.00 97.96 0.17 12 I E E 29.89 15.69 15.77 32.40 124.20 -170.43 -122.89 135.88 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 72.75 8.55 20.34 29.92 120.90 -153.94 -111.39 132.75 0.27 99.73 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.73 0.01 14 L E E 20.00 19.70 15.06 34.84 127.30 -175.58 -127.23 139.49 2.40 97.59 0.00 2.38 0.06 0.00 0.00 0.00 0.00 97.50 0.06 15 E E E 115.88 4.81 24.10 29.76 114.53 -139.38 -97.14 126.40 12.29 87.71 0.01 11.70 0.46 0.02 0.00 0.00 0.00 87.69 0.11 16 V C C 11.05 23.36 12.33 35.36 131.45 176.59 -131.88 150.42 50.51 49.47 0.01 50.41 1.08 0.03 0.00 0.01 0.00 46.06 2.41 17 E C C 99.32 3.87 24.47 27.75 116.31 -123.44 -85.88 142.99 98.98 1.01 0.01 99.02 0.24 0.02 0.00 0.00 0.00 0.63 0.09 18 P C T 47.13 17.96 13.18 30.67 91.20 -115.95 -60.60 -24.97 99.65 0.13 0.22 0.40 2.13 97.18 0.01 0.17 0.00 0.08 0.02 19 S C T 81.91 2.42 20.86 23.41 92.53 58.19 -88.92 -3.44 99.71 0.09 0.20 0.44 1.99 97.32 0.01 0.18 0.00 0.06 0.01 20 D C C 31.10 14.06 14.29 29.73 116.92 116.43 -70.44 143.63 98.48 1.41 0.11 72.26 26.34 0.19 0.02 0.08 0.00 0.73 0.38 21 T E B 45.19 7.11 24.05 31.59 123.19 -129.08 -88.04 160.39 14.33 85.58 0.09 10.79 0.25 0.01 0.07 0.00 0.00 3.93 84.94 22 I H H 10.25 24.54 14.50 39.55 90.65 -112.38 -58.27 -39.31 1.97 0.02 98.01 0.26 0.23 1.38 97.68 0.43 0.01 0.01 0.01 23 E H H 107.60 5.99 22.21 28.99 91.05 55.26 -62.56 -40.57 0.77 0.00 99.23 0.08 0.05 0.55 99.05 0.27 0.00 0.00 0.00 24 N H H 82.83 3.86 24.26 27.82 92.04 48.87 -65.97 -39.96 0.50 0.00 99.49 0.11 0.04 0.30 99.22 0.32 0.00 0.00 0.00 25 V H H 4.99 22.86 17.53 40.63 91.79 49.97 -64.50 -43.47 0.36 0.00 99.64 0.08 0.03 0.19 99.56 0.13 0.00 0.00 0.00 26 K H H 52.92 17.83 19.76 36.40 91.44 52.27 -62.02 -42.67 0.31 0.00 99.68 0.05 0.02 0.17 99.68 0.07 0.00 0.00 0.00 27 A H H 53.23 2.91 23.17 25.30 91.33 50.83 -63.22 -42.31 0.68 0.00 99.32 0.07 0.04 0.48 99.26 0.15 0.00 0.00 0.00 28 K H H 86.18 5.89 21.84 28.10 92.01 49.37 -65.62 -41.04 1.82 0.01 98.17 0.18 0.12 1.40 98.04 0.25 0.00 0.01 0.00 29 I H H 7.58 20.91 13.88 35.28 91.95 49.33 -64.95 -42.59 3.95 0.07 95.97 0.59 0.51 2.75 95.70 0.39 0.02 0.03 0.02 30 Q H H 74.76 10.24 15.49 26.38 92.37 50.79 -64.37 -40.93 9.89 0.25 89.86 2.31 1.33 6.12 89.31 0.69 0.03 0.11 0.10 31 D H H 118.20 0.92 17.38 16.67 93.53 46.95 -69.69 -36.02 19.08 0.17 80.76 2.55 2.35 14.02 79.82 1.05 0.05 0.07 0.08 32 K H H 124.90 4.11 15.10 20.29 98.30 40.65 -80.45 -34.63 33.93 0.19 65.87 1.91 5.11 26.44 64.86 1.41 0.08 0.06 0.13 33 E H H 90.26 8.64 13.37 22.87 101.35 24.02 -103.53 -7.60 41.37 0.32 58.31 3.37 10.67 27.08 57.30 1.15 0.10 0.08 0.25 34 G C C 57.46 1.70 18.13 19.52 95.54 -116.57 76.26 16.45 99.69 0.11 0.19 67.15 11.65 20.90 0.07 0.10 0.00 0.05 0.07 35 I C C 27.67 16.70 9.51 26.46 116.79 145.81 -89.12 132.82 99.62 0.36 0.02 92.00 7.53 0.04 0.01 0.00 0.00 0.09 0.34 36 P C C 60.86 3.71 20.78 24.58 112.47 -109.82 -64.95 143.99 99.94 0.05 0.02 99.74 0.20 0.02 0.00 0.00 0.00 0.01 0.02 37 P H G 56.71 16.34 11.76 27.51 91.96 -119.23 -58.33 -35.08 10.70 0.07 89.23 1.10 0.90 6.33 0.42 91.19 0.00 0.05 0.00 38 D H G 114.69 2.14 18.98 21.53 90.78 61.74 -70.78 -13.97 10.78 0.12 89.10 0.58 0.82 7.49 0.40 90.64 0.00 0.08 0.00 39 Q H G 85.29 8.18 18.11 27.26 96.98 56.89 -96.34 0.22 11.07 0.42 88.51 2.02 1.53 5.48 0.44 90.20 0.00 0.32 0.02 40 Q C C 23.79 21.55 13.71 34.81 120.21 94.87 -96.86 139.26 53.79 45.63 0.59 46.73 7.08 0.42 0.17 0.44 0.00 43.47 1.69 41 R E E 93.34 9.34 26.15 35.83 128.91 -172.73 -128.72 141.63 7.69 92.25 0.06 7.90 0.22 0.03 0.02 0.02 0.00 91.18 0.63 42 L E E 6.07 24.78 17.84 43.19 116.30 -140.26 -99.45 128.69 2.06 97.92 0.01 1.77 0.17 0.01 0.00 0.00 0.00 98.00 0.04 43 I E E 32.33 11.47 23.82 36.44 124.40 -169.34 -119.14 136.16 0.76 99.23 0.01 0.63 0.07 0.01 0.00 0.01 0.00 99.23 0.04 44 F E E 28.03 19.57 15.04 34.36 120.03 -171.59 -125.26 123.69 1.56 98.39 0.05 1.01 0.40 0.15 0.01 0.03 0.00 97.94 0.45 45 A C T 59.99 9.61 15.80 26.50 93.45 -19.68 53.79 42.57 99.32 0.43 0.25 0.29 2.18 97.05 0.01 0.16 0.00 0.28 0.03 46 G C T 61.30 1.84 16.13 18.24 95.29 -46.73 80.63 2.60 99.75 0.10 0.15 0.36 2.65 96.79 0.01 0.11 0.00 0.07 0.01 47 K E E 118.27 3.81 15.81 21.44 123.71 105.63 -110.21 141.19 3.49 96.48 0.03 1.98 1.28 0.19 0.01 0.02 0.00 95.63 0.90 48 Q E E 113.29 5.85 16.92 24.49 114.49 -119.93 -78.63 133.27 4.70 95.28 0.02 4.13 0.37 0.04 0.01 0.01 0.00 94.59 0.86 49 L C C 17.97 22.31 9.13 30.47 115.79 -123.41 -82.40 135.70 76.27 23.70 0.03 75.48 0.89 0.08 0.00 0.02 0.00 22.92 0.61 50 E C C 127.29 2.59 21.22 23.56 118.49 -141.35 -96.28 141.99 98.86 1.08 0.07 98.07 0.82 0.19 0.01 0.03 0.00 0.59 0.29 51 D C T 95.80 8.38 13.98 23.45 108.39 -92.50 -61.93 131.78 99.30 0.29 0.41 1.29 3.90 94.17 0.05 0.32 0.00 0.15 0.11 52 G C T 51.34 3.82 18.03 22.63 95.98 21.58 86.16 -2.45 99.57 0.15 0.28 1.92 3.41 94.24 0.03 0.26 0.00 0.11 0.02 53 R C C 82.86 9.73 15.55 26.72 119.20 127.52 -79.02 146.65 96.13 3.77 0.10 77.42 18.80 0.27 0.02 0.09 0.00 2.35 1.06 54 T E B 37.90 8.97 21.00 30.99 122.85 -129.60 -89.17 157.19 15.16 84.76 0.09 10.81 0.46 0.02 0.06 0.01 0.00 6.60 82.03 55 L H G 9.19 24.71 12.88 37.94 91.19 -112.12 -59.53 -35.94 31.49 0.69 67.82 2.54 3.43 25.16 6.03 62.17 0.00 0.45 0.21 56 S H G 64.73 7.19 18.27 26.45 91.27 60.20 -64.93 -32.71 22.96 0.13 76.91 0.82 1.37 19.90 6.94 70.84 0.00 0.08 0.04 57 D H G 100.91 2.79 19.20 22.22 91.38 56.21 -71.16 -24.31 20.00 0.11 79.89 0.96 1.64 16.69 8.59 72.01 0.00 0.06 0.04 58 Y C G 49.19 17.12 12.93 29.82 98.34 50.91 -99.17 6.60 52.23 0.51 47.26 3.90 12.39 34.98 7.90 40.16 0.02 0.25 0.42 59 N C T 116.32 2.64 22.60 25.22 94.93 -120.33 59.51 41.22 96.08 1.32 2.60 18.83 5.83 71.83 0.66 1.69 0.00 0.76 0.41 60 I C C 11.75 24.77 8.84 32.68 114.80 168.79 -84.00 132.01 91.00 8.52 0.48 89.08 1.80 0.30 0.24 0.14 0.00 3.12 5.31 61 Q C C 101.92 3.33 22.52 25.67 126.01 -164.33 -113.89 160.28 95.39 3.99 0.62 94.01 1.17 0.58 0.21 0.24 0.00 2.01 1.79 62 R C T 140.20 7.99 15.98 24.86 103.18 -88.60 -61.29 82.72 93.56 3.00 3.44 2.80 13.00 78.16 0.43 2.73 0.01 2.39 0.49 63 E C T 133.76 3.55 19.46 23.41 96.42 26.68 -13.89 8.21 93.84 3.05 3.11 3.89 11.25 78.34 0.26 2.89 0.00 3.16 0.21 64 S C C 21.15 15.27 14.10 30.14 117.96 130.06 -77.11 148.63 91.13 7.80 1.07 73.38 16.05 1.32 0.13 1.09 0.00 7.47 0.56 65 T E E 51.92 9.79 23.24 33.56 120.43 -136.47 -110.63 133.98 18.01 81.86 0.13 17.11 0.93 0.15 0.04 0.08 0.00 80.91 0.77 66 L E E 7.21 24.70 17.09 42.09 123.00 -165.38 -116.60 134.11 2.10 97.86 0.04 2.07 0.11 0.02 0.01 0.02 0.00 97.67 0.10 67 H E E 58.38 10.66 26.40 37.61 117.95 -155.39 -108.06 127.12 1.12 98.84 0.04 1.10 0.06 0.01 0.01 0.02 0.00 98.78 0.02 68 L E E 8.33 24.29 18.30 42.83 119.52 -162.63 -109.27 128.76 1.19 98.77 0.04 1.18 0.04 0.01 0.01 0.02 0.00 98.71 0.03 69 V E E 38.00 10.56 24.94 36.34 119.93 -165.35 -115.60 128.54 2.17 97.81 0.02 2.09 0.08 0.01 0.00 0.01 0.00 97.73 0.06 70 L E E 24.67 20.44 16.91 37.06 120.65 -160.90 -109.99 132.13 6.54 93.41 0.05 6.23 0.29 0.04 0.01 0.02 0.00 93.20 0.20 71 R E E 107.94 7.71 20.83 29.23 117.87 -155.49 -104.48 129.97 19.92 79.88 0.20 18.01 1.36 0.26 0.05 0.11 0.00 79.80 0.42 72 L E E 64.86 14.23 12.18 26.44 116.30 -146.83 -91.09 132.48 48.58 50.72 0.71 41.57 4.66 1.41 0.19 0.50 0.00 50.27 1.40 73 R C C 148.05 4.32 13.04 19.03 116.18 -152.57 -99.09 134.86 70.04 28.82 1.14 49.08 12.39 8.44 0.25 1.00 0.00 26.79 2.04 74 G C C 57.67 2.23 12.44 15.84 113.28 -0.97 85.13 164.94 90.38 9.03 0.59 70.48 7.88 11.63 0.10 0.48 0.00 8.48 0.94 75 G C C 52.67 3.15 13.75 18.25 112.90 11.46 85.61 -62.09 99.78 0.21 0.01 99.48 0.25 0.09 0.00 0.00 0.00 0.15 0.01