# 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 F C C 49.41 18.24 15.79 33.00 107.96 -146.78 -90.38 95.43 99.65 0.16 0.19 99.59 0.10 0.08 0.14 0.01 0.00 0.06 0.03 1 E C C 99.10 9.75 15.15 25.30 100.69 132.59 -72.16 -29.97 52.87 0.29 46.84 47.30 0.76 3.98 47.00 0.74 0.00 0.11 0.12 2 G H H 46.00 2.67 17.56 20.14 96.07 47.01 -59.81 -41.54 15.57 0.08 84.35 6.27 2.25 6.58 83.63 1.19 0.00 0.03 0.04 3 E H H 79.85 8.75 17.24 26.73 94.08 51.76 -67.51 -39.06 5.74 0.06 94.20 2.38 0.81 2.60 92.94 1.21 0.00 0.03 0.02 4 L H H 11.88 22.68 13.61 35.64 92.42 51.97 -64.88 -41.41 1.83 0.04 98.13 0.89 0.27 0.75 97.22 0.85 0.00 0.02 0.01 5 K H H 98.41 7.39 19.80 27.83 91.96 53.77 -63.07 -41.04 1.64 0.07 98.29 0.84 0.22 0.65 97.68 0.55 0.00 0.04 0.01 6 T H H 67.77 3.01 21.95 24.19 91.89 50.22 -64.81 -41.62 1.96 0.39 97.66 1.07 0.31 0.81 96.94 0.55 0.01 0.26 0.05 7 L H H 18.88 16.34 15.60 32.63 92.11 50.75 -64.18 -41.94 1.79 0.86 97.34 0.92 0.28 0.80 96.59 0.70 0.01 0.61 0.08 8 L H H 47.74 16.76 15.09 31.14 92.43 50.56 -64.71 -39.66 2.78 0.96 96.26 0.97 0.32 1.57 94.74 1.47 0.02 0.82 0.08 9 R H H 172.43 1.69 19.48 20.91 91.80 51.59 -68.16 -31.05 7.53 0.55 91.92 1.02 0.61 5.93 90.45 1.37 0.05 0.49 0.08 10 S H H 62.00 4.95 17.09 22.89 94.44 49.62 -83.91 -11.79 29.29 0.34 70.37 1.34 2.53 24.99 69.63 1.12 0.10 0.17 0.13 11 G C S 34.82 10.90 16.21 27.41 97.14 -110.41 82.75 9.56 98.91 0.83 0.25 7.55 46.61 44.75 0.06 0.14 0.00 0.81 0.08 12 K C C 96.74 9.60 21.51 31.14 105.64 111.62 -94.93 31.65 72.51 27.25 0.24 48.34 22.38 1.04 0.04 0.20 0.00 27.45 0.54 13 V E E 16.43 22.62 15.91 38.15 123.29 71.74 -116.08 132.95 11.38 88.42 0.20 9.92 1.47 0.16 0.10 0.11 0.00 87.33 0.91 14 I E E 39.69 14.06 24.47 38.58 120.78 -162.38 -113.63 130.20 6.66 93.28 0.06 6.90 0.18 0.02 0.04 0.02 0.00 91.90 0.94 15 L E E 49.41 17.43 21.77 37.98 121.53 -158.93 -111.04 132.55 20.69 79.25 0.05 18.70 1.42 0.08 0.02 0.03 0.00 79.07 0.67 16 G C S 15.87 10.37 25.05 36.76 120.95 23.92 94.76 152.79 93.18 3.33 3.49 26.47 63.90 2.68 3.88 0.40 0.00 1.92 0.73 17 T H H 26.88 21.46 16.71 36.94 93.19 -94.40 -61.97 -39.06 6.01 0.03 93.96 1.04 1.98 2.73 93.73 0.50 0.01 0.01 0.02 18 R H H 150.59 3.54 23.49 27.70 91.58 52.61 -63.23 -41.37 2.01 0.01 97.98 0.24 0.28 1.30 97.77 0.40 0.00 0.00 0.00 19 K H H 96.31 6.11 24.00 30.30 91.79 48.41 -66.23 -39.88 0.62 0.00 99.37 0.12 0.07 0.35 99.13 0.33 0.00 0.00 0.00 20 T H H 1.94 26.28 16.50 43.35 91.33 50.98 -63.70 -43.38 0.20 0.00 99.80 0.04 0.01 0.10 99.75 0.09 0.00 0.00 0.00 21 L H H 30.90 18.05 21.51 38.69 91.40 50.26 -62.88 -42.39 0.10 0.00 99.90 0.01 0.00 0.06 99.89 0.04 0.00 0.00 0.00 22 K H H 116.07 2.24 26.23 27.09 91.54 50.38 -63.68 -41.92 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 23 L H H 26.49 12.52 19.94 33.64 91.64 49.76 -64.40 -41.88 0.26 0.00 99.74 0.02 0.01 0.20 99.63 0.14 0.00 0.00 0.00 24 L H H 5.31 25.01 13.96 39.09 91.40 50.16 -63.71 -42.45 0.70 0.00 99.30 0.04 0.02 0.59 98.76 0.58 0.00 0.00 0.00 25 K H H 117.78 7.55 19.06 27.57 90.95 51.84 -64.77 -33.37 3.91 0.00 96.08 0.06 0.09 3.95 95.36 0.53 0.00 0.00 0.00 26 T C T 90.26 2.35 19.66 21.32 92.72 51.77 -84.98 -7.22 66.47 0.02 33.51 0.27 1.33 64.48 33.12 0.77 0.00 0.00 0.02 27 G C T 40.06 10.50 14.93 25.93 95.42 -113.35 80.84 9.67 99.74 0.01 0.25 0.91 3.90 95.04 0.09 0.05 0.00 0.00 0.00 28 K C S 121.21 4.50 21.78 26.98 95.06 121.58 -80.76 -17.50 99.83 0.13 0.04 32.20 66.71 0.94 0.01 0.03 0.00 0.04 0.06 29 V C C 7.96 24.39 12.97 37.25 125.33 62.47 -111.50 143.42 97.35 2.62 0.03 82.14 14.88 0.39 0.00 0.04 0.00 2.33 0.21 30 K C S 85.54 10.01 26.56 37.65 99.54 -163.41 -92.55 -23.35 95.26 4.74 0.01 18.62 76.48 0.25 0.00 0.01 0.00 4.56 0.07 31 G E E 2.33 21.71 27.15 48.25 146.99 -4.28 -164.62 162.71 3.44 96.55 0.01 2.33 0.99 0.05 0.00 0.01 0.00 96.56 0.07 32 V E E 0.75 27.87 27.11 55.27 125.12 -141.41 -126.29 135.07 0.17 99.83 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.00 33 V E E 1.60 26.08 29.45 55.02 117.28 -159.47 -108.97 125.44 0.02 99.98 0.00 0.02 0.00 0.00 0.00 0.00 0.00 99.98 0.00 34 V E E 3.78 24.76 26.63 50.35 132.05 -175.58 -130.94 150.37 0.16 99.84 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.85 0.01 35 S E E 5.44 21.97 20.71 43.01 115.20 -110.23 -74.03 143.00 20.77 79.22 0.02 19.98 0.53 0.04 0.00 0.01 0.00 79.19 0.25 36 S C T 52.98 10.42 21.75 32.95 92.00 -129.04 -66.73 -22.57 94.98 4.32 0.69 2.99 24.36 67.88 0.03 0.74 0.00 3.70 0.30 37 T C T 77.08 6.18 21.95 29.07 93.75 61.60 -88.57 2.43 98.45 0.90 0.65 7.02 29.34 62.08 0.04 0.72 0.00 0.63 0.18 38 L C C 15.58 23.34 8.81 30.94 118.76 111.33 -76.77 145.60 97.86 1.19 0.95 50.65 46.29 0.85 0.48 0.31 0.00 0.31 1.10 39 R C C 122.48 3.48 19.55 22.92 114.46 -100.50 -65.27 147.11 99.34 0.10 0.57 98.69 0.55 0.22 0.41 0.04 0.00 0.03 0.07 40 Q H H 128.47 3.71 13.92 19.67 91.42 -112.86 -57.85 -38.15 7.17 0.01 92.81 1.01 1.07 4.68 89.69 3.52 0.01 0.00 0.01 41 D H H 105.33 1.44 18.05 18.57 91.84 54.14 -64.86 -37.52 5.67 0.01 94.32 0.76 0.58 3.98 90.62 4.04 0.01 0.01 0.00 42 L H H 29.18 15.65 15.11 31.01 92.63 48.93 -67.12 -39.63 3.30 0.02 96.68 0.85 0.36 1.87 92.94 3.97 0.00 0.01 0.00 43 K H H 54.97 17.34 15.87 32.41 91.58 53.57 -61.72 -42.85 1.67 0.01 98.33 0.43 0.17 0.85 97.68 0.85 0.00 0.00 0.00 44 D H H 86.45 2.23 23.49 24.29 91.79 50.35 -64.42 -41.04 1.83 0.00 98.17 0.24 0.12 1.23 98.06 0.35 0.00 0.00 0.00 45 D H H 61.66 7.39 22.42 30.21 91.75 49.86 -64.83 -41.32 1.26 0.00 98.73 0.17 0.08 0.81 98.77 0.17 0.00 0.00 0.00 46 I H H 2.12 26.65 16.20 43.51 91.25 49.79 -64.22 -43.30 0.22 0.00 99.78 0.03 0.01 0.12 99.79 0.05 0.00 0.00 0.00 47 M H H 69.41 12.97 21.79 34.19 91.55 51.17 -62.37 -42.34 0.09 0.00 99.91 0.01 0.00 0.05 99.91 0.03 0.00 0.00 0.00 48 T H H 72.50 2.21 25.05 25.37 91.62 49.69 -63.64 -42.77 0.17 0.00 99.83 0.01 0.01 0.12 99.82 0.06 0.00 0.00 0.00 49 F H H 34.41 13.91 20.32 34.88 92.12 49.29 -64.62 -42.49 0.21 0.00 99.79 0.01 0.01 0.16 99.72 0.11 0.00 0.00 0.00 50 S H H 4.59 23.03 13.77 36.87 91.51 50.79 -63.72 -41.35 0.82 0.00 99.18 0.07 0.04 0.62 98.83 0.45 0.00 0.00 0.00 51 K H H 139.14 2.76 20.18 23.62 91.81 51.54 -64.54 -39.55 2.89 0.00 97.11 0.09 0.10 2.65 96.03 1.12 0.00 0.00 0.00 52 F H H 135.31 3.20 18.80 22.18 92.21 50.83 -66.59 -33.85 7.64 0.00 92.35 0.21 0.35 7.00 91.58 0.85 0.00 0.00 0.00 53 S C T 27.33 15.28 13.44 28.92 97.34 46.43 -91.44 -0.72 56.36 0.10 43.53 2.24 5.48 46.43 44.39 1.33 0.01 0.03 0.09 54 D C T 125.11 1.24 20.79 21.13 94.28 -122.83 59.96 36.88 99.88 0.02 0.11 8.80 3.21 87.91 0.03 0.03 0.00 0.00 0.00 55 I C C 11.97 23.31 11.37 34.58 115.96 147.10 -99.11 127.03 99.73 0.26 0.00 95.65 4.12 0.02 0.00 0.00 0.00 0.18 0.03 56 P C C 55.98 6.90 25.28 33.06 112.92 -115.47 -67.98 140.47 97.05 2.95 0.00 96.46 0.70 0.01 0.00 0.00 0.00 2.76 0.06 57 I E E 32.65 23.41 14.77 37.44 124.99 -163.22 -122.08 133.75 3.11 96.89 0.00 3.08 0.10 0.00 0.00 0.00 0.00 96.35 0.47 58 Y E E 57.89 13.25 23.93 37.26 121.90 -166.83 -117.82 130.57 0.25 99.75 0.00 0.24 0.00 0.00 0.00 0.00 0.00 99.75 0.01 59 L E E 67.91 14.57 21.94 35.78 118.44 -153.43 -105.77 128.28 0.80 99.20 0.00 0.79 0.01 0.00 0.00 0.00 0.00 99.17 0.03 60 Y E E 29.23 19.95 14.45 34.23 120.71 -165.22 -111.24 137.11 24.23 75.76 0.02 23.44 0.50 0.03 0.00 0.01 0.00 75.73 0.29 61 K C C 150.36 2.45 22.32 24.69 104.12 -135.94 -85.61 59.35 78.87 21.06 0.07 44.26 31.06 2.03 0.01 0.08 0.00 22.25 0.30 62 G C S 23.58 9.73 18.95 29.46 139.75 74.33 166.56 -175.84 94.18 5.59 0.23 20.34 71.08 3.05 0.04 0.17 0.00 4.71 0.61 63 S C C 43.83 6.77 24.28 31.19 128.38 -81.93 -103.57 166.74 96.13 2.72 1.15 83.35 12.02 0.70 1.05 0.23 0.00 1.09 1.56 64 G H H 10.54 22.50 15.24 37.29 91.97 -101.64 -60.34 -36.86 4.78 0.02 95.21 0.77 1.72 2.11 94.98 0.40 0.01 0.00 0.01 65 Y H H 127.21 6.63 22.57 29.81 91.99 53.60 -64.24 -41.11 1.40 0.01 98.59 0.15 0.17 0.95 98.43 0.28 0.00 0.00 0.00 66 E H H 84.20 5.79 24.00 29.98 92.00 48.71 -65.67 -40.87 0.65 0.01 99.34 0.11 0.07 0.41 99.10 0.30 0.00 0.00 0.00 67 L H H 3.54 24.64 16.63 41.67 91.55 50.28 -63.63 -43.50 0.24 0.00 99.76 0.03 0.02 0.15 99.62 0.18 0.00 0.00 0.00 68 G H H 6.89 17.37 17.13 35.15 91.55 51.36 -62.78 -42.44 0.41 0.00 99.59 0.04 0.02 0.28 99.35 0.31 0.00 0.00 0.00 69 T H H 93.87 2.01 22.61 23.77 91.94 49.51 -64.61 -40.75 0.76 0.00 99.24 0.04 0.03 0.61 98.71 0.61 0.00 0.00 0.00 70 L H H 65.62 11.46 18.65 30.33 92.07 50.25 -66.31 -37.45 2.78 0.01 97.21 0.08 0.13 2.62 96.62 0.55 0.00 0.00 0.00 71 C H H 16.85 20.03 14.22 34.12 94.05 43.56 -87.89 -9.78 43.58 0.04 56.38 0.38 1.27 41.81 55.60 0.90 0.01 0.01 0.03 72 G C T 58.69 1.52 20.96 21.33 95.05 -114.48 78.51 17.18 99.70 0.01 0.29 2.47 2.69 94.65 0.13 0.06 0.00 0.00 0.00 73 K C C 60.86 14.54 10.42 24.99 128.51 123.24 -115.89 153.03 99.52 0.33 0.15 52.02 46.48 0.99 0.03 0.10 0.00 0.09 0.29 74 P C S 106.91 2.33 19.44 21.77 94.44 -128.61 -76.45 -7.27 99.50 0.21 0.29 19.60 74.72 5.15 0.03 0.32 0.00 0.11 0.07 75 F C S 72.89 10.76 17.34 29.04 132.73 61.75 -123.52 156.27 97.14 2.28 0.59 21.10 72.35 3.98 0.07 0.51 0.00 1.32 0.67 76 M C C 83.36 10.26 23.02 33.29 112.17 -97.04 -69.76 136.90 93.39 5.96 0.65 83.34 8.91 1.25 0.12 0.63 0.00 4.21 1.54 77 V C C 9.65 24.47 17.36 41.88 119.68 -152.57 -109.09 133.61 73.07 26.75 0.18 71.12 2.27 0.16 0.06 0.11 0.00 23.30 2.98 78 S C C 23.60 15.45 26.08 41.60 99.98 177.18 -93.46 -28.26 71.39 28.53 0.08 41.01 30.44 0.33 0.02 0.06 0.00 27.75 0.39 79 V E E 13.11 21.21 26.86 47.40 136.17 11.25 -145.47 144.98 7.29 92.66 0.06 6.34 0.78 0.06 0.01 0.03 0.00 92.42 0.35 80 I E E 5.61 25.68 26.08 50.97 124.84 -164.00 -124.67 134.13 1.00 98.99 0.01 0.93 0.05 0.00 0.00 0.00 0.00 98.97 0.04 81 G E E 5.51 20.79 27.82 47.76 122.25 -159.70 -110.09 135.93 0.54 99.46 0.00 0.47 0.02 0.00 0.00 0.00 0.00 99.49 0.01 82 I E E 8.96 23.18 21.36 44.41 116.60 -157.31 -106.73 122.09 1.93 98.05 0.02 1.85 0.06 0.01 0.01 0.00 0.00 97.93 0.14 83 V E E 57.30 11.89 22.51 34.35 99.15 -172.27 -87.08 -28.79 42.67 56.79 0.54 23.26 18.59 2.07 0.13 0.36 0.00 54.93 0.65 84 D C S 73.64 5.96 22.45 28.73 122.75 22.81 -134.34 120.46 78.57 18.21 3.22 28.91 41.82 8.30 1.05 1.85 0.01 16.51 1.56 85 E C T 84.40 15.59 13.72 28.53 97.49 -152.36 -68.38 -18.98 65.55 4.18 30.27 19.28 15.76 31.51 12.51 16.66 0.13 2.73 1.42 86 G C T 42.73 5.51 18.55 24.80 97.72 59.68 50.86 -26.22 62.77 1.66 35.57 15.34 13.28 34.23 15.06 20.22 0.07 0.94 0.86 87 E C C 106.68 6.46 18.05 25.19 96.11 56.86 -86.38 -8.71 54.99 2.15 42.86 23.23 11.38 20.33 21.00 21.88 0.07 1.13 0.99 88 S C C 15.26 21.30 9.64 29.62 112.32 92.25 -85.48 129.05 51.20 2.99 45.82 31.30 9.35 10.28 25.95 20.38 0.03 1.67 1.05 89 K H H 140.00 2.88 21.05 23.98 97.36 -158.76 -78.89 -16.43 44.13 4.09 51.78 21.21 9.93 12.98 29.97 22.10 0.11 2.60 1.08 90 I H H 56.47 13.65 15.21 28.91 95.08 72.04 -72.63 -26.07 40.94 7.96 51.10 18.14 8.90 14.32 28.82 22.23 0.24 5.79 1.57 91 L H H 42.60 18.01 11.76 28.60 102.89 65.46 -86.06 21.35 42.83 12.48 44.69 22.97 8.43 12.52 25.14 19.21 0.27 8.99 2.47 92 E C C 128.63 3.87 14.63 20.04 106.80 136.43 -82.98 75.49 68.36 8.17 23.47 56.18 2.29 10.52 15.81 6.50 0.00 6.16 2.54 93 F C C 114.34 8.98 13.11 22.82 106.00 70.38 -85.96 55.59 99.76 0.15 0.09 99.64 0.09 0.10 0.05 0.01 0.00 0.10 0.01