# 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 93.34 9.18 14.47 24.32 113.58 -155.38 -87.56 138.54 99.82 0.07 0.11 99.69 0.11 0.08 0.07 0.01 0.00 0.03 0.01 1 S C C 57.96 6.65 14.70 22.44 108.77 -110.09 -75.71 149.97 74.66 0.75 24.59 67.39 1.08 4.91 25.02 0.93 0.00 0.27 0.39 2 N H H 69.89 11.13 14.97 26.28 99.65 -121.01 -72.13 -29.24 46.42 0.53 53.05 32.09 6.91 6.11 53.33 1.11 0.00 0.16 0.28 3 R H H 96.48 14.37 15.42 29.07 93.00 65.01 -63.18 -40.01 5.31 0.03 94.66 2.53 0.90 1.70 94.30 0.55 0.00 0.01 0.01 4 Q H H 107.29 3.74 20.76 24.84 92.20 52.03 -64.81 -40.29 1.64 0.01 98.35 0.64 0.22 0.68 98.10 0.35 0.00 0.00 0.00 5 A H H 38.97 8.00 20.92 29.71 91.83 49.86 -65.04 -41.02 0.80 0.01 99.20 0.27 0.08 0.35 99.05 0.24 0.00 0.00 0.00 6 A H H 4.83 22.32 17.58 40.14 91.35 50.31 -63.76 -43.18 0.49 0.00 99.50 0.13 0.04 0.24 99.48 0.11 0.00 0.00 0.00 7 L H H 41.24 14.83 22.17 36.71 91.09 50.58 -63.04 -41.93 0.27 0.00 99.73 0.05 0.02 0.14 99.75 0.04 0.00 0.00 0.00 8 S H H 49.33 4.36 25.87 30.34 91.28 50.68 -63.80 -41.75 0.25 0.00 99.75 0.03 0.01 0.15 99.77 0.04 0.00 0.00 0.00 9 L H H 18.64 17.38 22.45 39.78 91.42 50.54 -63.95 -43.08 0.17 0.00 99.83 0.01 0.01 0.10 99.85 0.03 0.00 0.00 0.00 10 Y H H 10.58 24.20 21.74 45.28 91.33 50.16 -63.43 -42.64 0.15 0.00 99.85 0.01 0.00 0.09 99.86 0.03 0.00 0.00 0.00 11 R H H 91.21 11.41 25.51 36.65 91.35 51.00 -63.03 -42.33 0.16 0.00 99.84 0.01 0.00 0.11 99.84 0.03 0.00 0.00 0.00 12 R H H 95.97 7.20 27.03 34.96 91.50 49.57 -64.46 -41.43 0.20 0.00 99.80 0.01 0.01 0.14 99.79 0.05 0.00 0.00 0.00 13 A H H 3.68 23.49 21.28 44.66 91.45 50.46 -64.03 -42.82 0.31 0.00 99.69 0.02 0.01 0.22 99.62 0.12 0.00 0.00 0.00 14 L H H 15.60 21.33 22.64 43.03 91.19 50.61 -63.90 -41.21 0.59 0.00 99.41 0.04 0.02 0.43 98.83 0.66 0.00 0.00 0.00 15 K H H 100.98 5.89 27.05 33.41 91.74 51.00 -64.22 -41.03 2.04 0.00 97.96 0.09 0.08 1.81 96.31 1.72 0.00 0.00 0.00 16 L H H 33.68 13.49 23.40 37.15 91.83 49.54 -66.46 -38.47 5.90 0.01 94.10 0.33 0.30 5.01 90.65 3.69 0.01 0.00 0.00 17 A H H 3.82 24.31 17.38 41.91 91.51 56.69 -64.02 -37.32 10.10 0.07 89.83 1.61 1.01 6.79 76.36 14.13 0.02 0.04 0.03 18 L H H 62.47 13.29 20.83 33.94 90.89 58.73 -67.42 -27.65 28.68 0.14 71.18 2.44 1.96 22.29 51.93 21.17 0.05 0.07 0.09 19 D H H 85.65 5.40 22.59 28.43 93.58 59.41 -81.67 -11.82 45.55 0.26 54.18 5.54 4.05 34.36 36.51 19.17 0.05 0.13 0.20 20 W C C 51.74 18.46 13.55 31.50 106.20 84.56 -82.80 72.81 65.03 2.47 32.50 33.14 15.62 17.39 21.11 10.13 0.06 0.99 1.56 21 T C C 65.39 10.41 16.76 27.52 102.45 88.41 -91.78 4.05 80.75 3.22 16.03 55.98 10.77 13.19 12.32 4.34 0.01 1.57 1.82 22 V C S 76.92 8.67 15.78 25.05 101.53 62.78 -86.19 -28.10 84.69 2.62 12.69 33.48 35.90 15.65 8.53 3.88 0.02 1.14 1.39 23 H C C 92.13 6.96 15.74 23.73 111.32 29.85 -109.23 99.16 89.57 1.55 8.88 66.63 14.03 8.58 6.44 2.62 0.00 0.65 1.04 24 R H H 116.03 11.11 12.77 24.46 94.34 -170.19 -62.16 -37.54 16.29 0.17 83.55 4.54 3.25 9.28 74.06 8.67 0.04 0.08 0.09 25 N H H 118.23 1.64 17.93 19.26 92.56 53.90 -66.69 -31.67 12.34 0.06 87.59 1.33 1.21 9.26 77.86 10.23 0.04 0.03 0.03 26 L H H 70.39 7.18 17.24 25.46 95.05 46.00 -75.84 -34.36 10.34 0.08 89.58 1.46 0.99 7.37 79.04 11.03 0.03 0.05 0.03 27 W H H 22.04 20.91 13.13 33.52 92.65 51.61 -67.02 -39.67 7.09 0.06 92.85 2.18 0.93 3.93 89.72 3.17 0.01 0.03 0.02 28 R H H 107.03 9.79 20.04 30.08 91.73 55.37 -62.15 -42.18 1.62 0.00 98.38 0.32 0.11 1.00 98.09 0.48 0.00 0.00 0.00 29 G H H 35.32 3.06 24.00 26.18 91.63 50.02 -64.49 -41.28 1.17 0.00 98.83 0.15 0.06 0.82 98.55 0.42 0.00 0.00 0.00 30 Q H H 32.83 15.42 21.10 36.36 91.89 49.51 -65.39 -41.63 0.47 0.00 99.53 0.07 0.03 0.28 99.32 0.30 0.00 0.00 0.00 31 A H H 5.66 22.23 17.64 39.95 91.19 52.22 -62.48 -42.53 0.18 0.00 99.82 0.03 0.01 0.09 99.80 0.07 0.00 0.00 0.00 32 L H H 84.09 4.51 24.77 29.25 91.35 51.15 -63.90 -41.30 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.03 0.00 0.00 0.00 33 Y H H 106.34 5.63 24.42 30.25 91.50 49.94 -64.34 -42.14 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.02 0.00 0.00 0.00 34 I H H 4.32 24.36 18.30 42.83 91.43 49.23 -64.20 -43.37 0.07 0.00 99.93 0.00 0.00 0.04 99.93 0.02 0.00 0.00 0.00 35 R H H 73.90 15.35 21.26 35.64 91.39 51.51 -62.19 -41.88 0.09 0.00 99.91 0.00 0.00 0.05 99.92 0.02 0.00 0.00 0.00 36 S H H 55.55 2.38 24.24 25.11 91.43 50.80 -63.62 -41.63 0.14 0.00 99.86 0.01 0.00 0.09 99.87 0.03 0.00 0.00 0.00 37 L H H 35.24 11.63 20.01 32.64 91.75 49.81 -64.72 -41.92 0.18 0.00 99.82 0.01 0.01 0.13 99.79 0.07 0.00 0.00 0.00 38 F H H 8.71 23.54 14.13 37.65 91.66 49.98 -64.46 -41.52 0.33 0.00 99.67 0.02 0.01 0.25 99.47 0.25 0.00 0.00 0.00 39 E H H 105.72 5.30 19.83 25.96 91.28 52.95 -63.43 -38.91 1.52 0.00 98.48 0.06 0.06 1.34 97.58 0.96 0.00 0.00 0.00 40 K H H 139.87 1.86 20.17 21.34 91.12 53.38 -68.44 -27.89 14.33 0.00 85.66 0.16 0.34 14.91 82.84 1.74 0.01 0.00 0.00 41 N C T 31.54 15.97 12.17 28.61 98.29 46.33 -102.37 10.94 61.21 0.06 38.73 3.53 2.07 54.82 36.51 2.99 0.01 0.02 0.06 42 R C T 120.98 11.21 14.01 25.96 92.76 116.01 -62.49 -29.38 97.05 0.16 2.80 2.77 2.73 91.97 1.43 0.92 0.00 0.07 0.11 43 N C T 126.33 1.24 19.18 19.19 95.26 50.84 -92.24 5.15 99.14 0.04 0.82 3.13 3.97 92.16 0.19 0.51 0.00 0.03 0.02 44 V C C 32.18 16.39 8.57 24.90 111.33 122.57 -79.61 120.06 99.47 0.21 0.32 96.80 2.15 0.57 0.14 0.10 0.00 0.06 0.20 45 T C C 106.18 2.22 16.95 20.04 101.62 173.87 -108.12 -8.47 99.77 0.13 0.10 92.47 6.73 0.56 0.04 0.03 0.00 0.03 0.13 46 D C C 75.79 4.07 16.33 21.74 111.03 98.45 -83.00 119.67 99.56 0.24 0.20 52.26 47.10 0.15 0.17 0.02 0.00 0.04 0.25 47 P H H 65.98 11.19 12.00 24.33 92.43 -150.65 -59.94 -35.86 1.67 0.00 98.33 0.15 0.17 1.17 98.03 0.49 0.00 0.00 0.00 48 R H H 157.93 1.66 18.28 19.48 91.67 54.37 -64.14 -39.92 0.64 0.00 99.36 0.04 0.04 0.48 98.95 0.49 0.00 0.00 0.00 49 L H H 71.60 5.52 18.07 24.62 91.97 48.33 -66.05 -40.40 0.16 0.00 99.84 0.02 0.01 0.10 99.55 0.33 0.00 0.00 0.00 50 Q H H 20.13 19.50 13.99 33.49 91.65 51.77 -63.13 -43.04 0.06 0.00 99.94 0.01 0.00 0.03 99.90 0.05 0.00 0.00 0.00 51 R H H 105.12 8.67 21.33 30.31 91.34 51.01 -62.91 -41.71 0.04 0.00 99.96 0.00 0.00 0.02 99.96 0.02 0.00 0.00 0.00 52 A H H 48.73 2.90 23.90 25.94 91.14 50.32 -63.39 -42.47 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 53 L H H 18.76 15.89 19.81 36.33 91.67 50.27 -63.78 -42.83 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 54 L H H 15.16 21.30 18.67 39.71 91.38 50.46 -63.27 -42.39 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 55 K H H 113.47 3.74 24.90 28.47 91.45 50.39 -63.56 -41.88 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 56 E H H 88.80 4.37 24.46 28.61 91.46 49.08 -64.50 -41.63 0.09 0.00 99.91 0.00 0.00 0.06 99.92 0.01 0.00 0.00 0.00 57 T H H 5.03 21.75 17.01 39.28 91.65 50.08 -63.67 -42.98 0.10 0.00 99.90 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 58 E H H 55.95 13.61 20.54 34.07 91.38 51.50 -62.56 -41.56 0.11 0.00 99.89 0.01 0.00 0.07 99.88 0.03 0.00 0.00 0.00 59 K H H 117.14 1.75 24.68 24.17 91.50 50.44 -63.88 -41.61 0.19 0.00 99.81 0.01 0.01 0.14 99.80 0.05 0.00 0.00 0.00 60 L H H 41.61 9.94 19.40 30.66 91.85 49.46 -64.70 -41.61 0.31 0.00 99.69 0.02 0.01 0.24 99.59 0.14 0.00 0.00 0.00 61 L H H 9.73 22.64 13.26 35.83 91.73 50.83 -64.25 -40.99 0.42 0.00 99.58 0.03 0.02 0.32 98.72 0.91 0.00 0.00 0.00 62 E H H 112.73 5.26 18.27 24.65 91.50 52.03 -64.49 -36.35 2.31 0.00 97.68 0.08 0.07 2.10 95.56 2.19 0.00 0.00 0.00 63 K H H 144.14 1.62 19.63 20.27 92.23 51.47 -70.95 -30.33 11.86 0.01 88.13 0.23 0.38 11.80 85.50 2.07 0.01 0.00 0.00 64 W H H 76.37 14.39 13.84 28.29 99.37 43.93 -96.53 -0.37 40.28 0.33 59.39 4.91 4.79 30.51 57.04 2.35 0.06 0.11 0.23 65 K C C 103.61 10.76 16.29 27.61 111.20 128.97 -74.10 125.70 87.85 5.31 6.83 60.21 16.44 9.70 5.77 1.45 0.00 1.66 4.74 66 H C C 59.29 14.81 12.34 27.38 117.05 -161.32 -98.98 130.21 96.07 3.53 0.40 78.77 15.92 1.16 0.18 0.20 0.00 1.48 2.28 67 P C S 81.21 5.73 17.39 24.20 100.04 -119.42 -67.10 -9.64 98.57 1.11 0.32 38.14 55.06 5.48 0.06 0.27 0.00 0.57 0.42 68 D C C 69.03 10.56 15.14 26.23 110.69 26.88 -93.36 115.22 96.91 2.54 0.56 58.18 34.76 3.77 0.13 0.45 0.00 0.89 1.83 69 P C C 56.38 12.37 15.18 28.30 96.58 -157.91 -70.95 -13.33 97.48 1.34 1.18 36.14 28.72 32.42 0.13 1.33 0.00 0.63 0.63 70 Y C C 88.30 13.49 15.07 28.56 114.31 68.52 -101.98 122.12 92.66 5.49 1.85 34.29 30.56 27.83 0.36 1.62 0.00 2.32 3.04 71 C C C 60.15 8.27 17.22 26.66 120.45 -161.88 -113.06 131.50 95.52 4.24 0.24 53.73 40.95 0.73 0.08 0.14 0.00 1.16 3.21 72 P C C 55.56 9.44 15.44 26.13 114.39 -105.90 -66.45 146.85 98.89 0.75 0.36 87.95 7.43 3.32 0.07 0.36 0.00 0.31 0.56 73 P C T 69.41 11.44 12.81 24.84 93.56 -117.47 -64.54 -19.53 98.77 0.14 1.09 5.06 9.29 84.17 0.12 1.20 0.00 0.08 0.09 74 T C T 95.54 3.78 15.63 20.36 97.01 57.26 -93.01 0.39 97.73 0.64 1.63 5.09 9.93 82.38 0.23 1.69 0.00 0.37 0.32 75 A C S 41.99 8.69 10.13 20.58 120.00 101.67 -82.98 146.60 97.34 1.99 0.68 29.04 65.53 2.45 0.13 0.46 0.00 0.67 1.71 76 P C T 107.54 2.44 13.43 17.00 109.50 -88.19 -61.97 138.66 97.43 0.54 2.03 8.24 12.12 76.69 0.24 2.06 0.00 0.33 0.31 77 G C T 61.32 1.45 14.59 15.87 98.25 18.04 84.93 -2.53 97.20 0.56 2.24 9.96 12.10 74.82 0.31 2.17 0.00 0.35 0.29 78 G C C 24.03 11.96 9.17 21.50 123.60 128.37 -85.30 171.91 93.94 3.24 2.82 56.42 30.32 6.57 0.72 2.04 0.00 1.08 2.84 79 S C C 44.40 6.02 15.83 23.31 129.36 -131.53 -117.38 164.41 89.34 6.84 3.82 65.13 18.80 4.04 1.85 1.83 0.00 1.99 6.34 80 K C T 124.36 6.90 14.30 22.57 91.94 -108.00 -63.33 -29.14 58.49 1.68 39.83 10.83 17.15 31.04 18.24 20.44 0.22 0.80 1.29 81 Y C T 136.60 4.92 15.75 21.90 92.36 62.66 -72.13 -22.32 55.38 1.61 43.01 10.89 12.01 32.45 19.67 22.80 0.26 0.81 1.11 82 E C G 74.77 10.66 13.20 24.76 96.39 57.09 -85.42 -10.28 50.15 3.48 46.36 22.95 10.83 17.62 20.04 24.93 0.14 1.75 1.73 83 R C C 107.40 10.76 12.92 24.14 98.14 81.30 -75.77 -17.57 61.78 3.94 34.27 27.81 13.78 21.30 17.13 15.72 0.16 1.83 2.28 84 N C C 105.00 4.32 15.42 20.88 101.96 47.86 -94.70 29.44 78.43 3.97 17.60 42.92 15.05 21.15 7.29 9.27 0.03 1.75 2.54 85 L C C 68.47 9.60 10.33 21.45 117.96 133.24 -86.39 140.18 96.75 2.89 0.36 65.76 30.44 0.71 0.17 0.16 0.00 1.02 1.75 86 P C C 99.93 2.49 15.17 18.47 113.85 -105.58 -67.63 146.78 98.60 1.27 0.13 92.75 5.45 0.42 0.04 0.07 0.00 0.51 0.75 87 V C C 88.85 8.71 9.74 19.74 115.36 -109.42 -80.30 137.89 99.15 0.54 0.31 93.48 5.13 0.57 0.10 0.15 0.00 0.21 0.35 88 P C C 72.14 7.44 10.56 19.63 113.15 -105.01 -67.02 148.64 97.09 0.59 2.32 83.47 7.60 5.84 0.46 2.00 0.00 0.30 0.34 89 N C C 130.58 1.44 12.35 14.52 107.67 -129.76 -87.74 107.93 92.54 3.93 3.53 72.78 10.78 8.11 0.83 2.98 0.00 1.68 2.84 90 L C C 95.22 7.28 7.34 15.91 113.00 -164.06 -94.45 131.70 93.81 4.05 2.14 67.53 20.68 4.98 0.56 1.68 0.00 1.67 2.90 91 E C C 157.03 0.92 12.53 13.34 114.62 -131.53 -90.74 130.98 98.43 1.36 0.20 68.78 28.83 0.92 0.06 0.14 0.00 0.60 0.68 92 P C C 95.40 4.25 9.76 16.08 116.26 -103.53 -68.12 150.20 99.71 0.26 0.03 90.25 9.27 0.23 0.01 0.02 0.00 0.11 0.12 93 P C C 80.89 5.82 9.13 16.94 115.96 -103.58 -67.58 150.92 99.76 0.19 0.05 96.24 3.35 0.19 0.01 0.02 0.00 0.06 0.13 94 P C C 101.24 2.31 11.72 15.29 114.25 -99.72 -67.76 149.03 99.32 0.27 0.42 93.76 4.60 0.99 0.09 0.26 0.00 0.11 0.19 95 P C C 103.20 3.28 9.41 14.69 111.86 -101.25 -67.82 144.51 91.87 1.11 7.02 68.26 10.32 12.09 1.07 7.03 0.00 0.55 0.67 96 L C C 111.99 4.58 7.09 13.57 111.93 -114.93 -82.08 135.47 89.02 2.46 8.52 60.14 12.13 15.60 1.22 8.40 0.00 1.36 1.14 97 K C C 167.92 1.01 9.59 11.38 111.75 -138.37 -93.39 123.98 92.10 2.28 5.62 80.63 2.68 9.20 1.06 4.09 0.00 1.31 1.02 98 F C C 137.14 5.36 8.84 15.86 111.55 -151.40 -92.81 128.82 99.91 0.07 0.02 99.78 0.11 0.06 0.01 0.00 0.00 0.03 0.01