# 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 102.14 8.19 14.05 23.15 118.66 -170.92 -101.22 135.39 99.30 0.57 0.13 99.13 0.22 0.13 0.07 0.02 0.00 0.34 0.09 1 A C C 69.23 6.52 12.38 20.06 112.77 -159.03 -91.06 128.96 71.88 16.26 11.85 66.28 1.70 4.28 7.60 3.38 0.00 13.58 3.18 2 V C C 99.40 5.27 10.85 17.50 110.65 -159.03 -92.14 114.82 56.70 26.93 16.37 38.68 9.53 8.66 10.13 6.34 0.11 22.80 3.76 3 L C C 108.63 5.29 11.33 17.99 112.82 -155.22 -97.98 120.46 52.43 31.32 16.26 37.01 8.40 7.27 9.57 6.83 0.09 26.60 4.22 4 A C C 71.81 6.17 11.28 18.68 113.59 -157.11 -94.29 129.31 60.16 23.29 16.55 35.63 11.91 13.70 9.03 7.16 0.12 19.17 3.29 5 G C C 48.45 5.56 13.23 19.81 112.47 0.30 -109.27 146.49 70.15 14.19 15.66 35.08 18.52 18.28 6.99 7.81 0.09 10.59 2.64 6 S C C 68.51 6.54 12.25 19.88 115.20 -114.23 -96.76 132.17 73.38 11.78 14.83 49.12 13.14 11.34 5.69 9.10 0.02 8.74 2.85 7 L C C 109.76 5.92 12.53 19.52 105.16 -145.05 -88.14 45.23 71.95 13.07 14.98 34.04 17.19 22.72 5.42 8.58 0.09 8.47 3.49 8 L C C 103.55 6.46 11.99 19.50 110.12 95.60 -95.07 100.52 75.64 12.89 11.47 30.33 23.75 23.55 4.04 6.56 0.13 7.84 3.80 9 G C C 38.57 6.61 12.96 20.70 125.06 -152.93 -121.81 165.62 88.14 9.40 2.46 47.48 36.68 4.72 0.88 1.52 0.01 5.40 3.30 10 P C C 92.27 5.46 13.21 19.88 105.82 -87.86 -72.40 128.25 84.52 5.40 10.08 45.29 18.76 21.25 4.01 5.63 0.01 3.34 1.71 11 T C C 90.25 5.22 13.19 19.65 110.97 -145.36 -95.01 114.32 80.40 6.05 13.55 39.82 19.09 22.45 6.29 6.63 0.04 3.38 2.30 12 S C C 59.98 8.27 12.01 21.28 112.81 -153.61 -90.74 131.06 73.12 6.44 20.44 44.43 17.21 11.59 12.21 8.31 0.04 3.47 2.74 13 R C C 141.47 5.83 14.06 20.93 105.08 -146.60 -85.74 10.77 55.99 5.98 38.03 32.54 14.09 10.35 26.70 10.77 0.10 3.55 1.90 14 S H H 62.75 7.10 13.44 21.53 103.27 80.15 -78.57 1.55 43.98 6.87 49.15 25.31 9.06 10.87 33.70 14.37 0.16 4.88 1.65 15 A H H 61.06 7.59 12.79 21.40 104.87 65.98 -85.45 18.65 33.21 9.08 57.71 18.41 7.09 9.14 38.55 17.89 0.21 7.06 1.65 16 A H H 65.57 6.03 13.09 20.30 107.99 69.08 -86.58 95.77 31.97 13.81 54.22 17.72 6.64 8.97 36.07 17.01 0.25 11.25 2.08 17 L H H 106.01 5.52 12.46 19.12 108.97 -141.13 -88.44 98.11 35.69 17.82 46.49 17.50 8.02 12.01 31.27 13.67 0.62 13.87 3.04 18 L C H 102.81 6.21 11.36 18.78 108.82 -124.74 -89.63 108.94 55.23 11.90 32.87 21.46 12.62 22.01 22.90 9.38 0.53 7.87 3.23 19 G C C 51.34 3.92 13.54 18.76 109.15 -101.41 85.98 19.06 82.07 6.05 11.88 33.03 19.02 31.28 6.12 4.99 0.03 3.86 1.66 20 G C C 43.48 6.78 11.86 19.75 117.09 -75.36 -104.50 166.06 80.78 7.03 12.19 40.06 22.83 18.97 4.05 7.57 0.02 4.45 2.06 21 R C C 152.92 4.49 13.35 19.20 111.27 -117.01 -93.62 110.29 71.45 13.60 14.95 39.80 18.15 14.67 5.00 9.55 0.06 9.45 3.32 22 W C C 142.06 7.82 11.66 20.53 112.79 97.02 -93.64 123.99 64.52 19.08 16.40 37.78 14.53 13.24 5.92 10.18 0.10 13.79 4.46 23 L C C 103.38 6.11 12.79 20.04 108.60 -152.18 -92.58 80.53 67.84 18.05 14.11 38.67 19.10 10.87 6.48 7.62 0.14 12.31 4.81 24 Q C C 97.52 6.67 12.63 20.67 118.21 97.16 -104.60 134.47 81.05 11.73 7.22 50.92 27.14 3.61 4.85 2.62 0.02 7.53 3.33 25 P C C 76.11 7.47 12.20 20.91 108.67 -111.32 -69.06 142.22 70.67 7.12 22.21 53.90 8.40 7.98 12.56 10.00 0.01 5.35 1.80 26 R C C 147.38 5.45 13.28 19.99 105.56 -133.29 -85.13 24.40 46.63 11.15 42.22 29.53 9.03 9.48 17.39 24.10 0.07 8.32 2.07 27 A H G 64.17 6.39 12.26 19.94 105.20 68.29 -85.47 47.36 34.24 16.55 49.21 20.46 7.67 9.18 18.32 28.91 0.10 13.44 1.92 28 W H G 148.58 6.79 12.25 20.17 107.11 58.27 -89.48 79.95 31.72 21.69 46.59 19.27 6.88 8.91 17.41 27.00 0.11 18.07 2.36 29 L C C 95.51 7.19 12.31 20.68 111.03 79.18 -91.79 110.55 42.76 25.90 31.33 23.47 10.05 11.92 14.70 15.65 0.39 19.62 4.20 30 G C C 44.59 5.88 14.45 21.38 114.28 -136.60 -108.62 154.82 70.73 18.80 10.46 38.67 19.60 13.89 4.48 5.73 0.07 13.25 4.31 31 F C C 109.51 8.15 11.47 20.92 119.32 -94.84 -98.36 135.71 91.14 7.85 1.01 62.32 26.90 2.28 0.37 0.65 0.00 5.08 2.41 32 P C C 75.21 6.87 12.04 20.33 112.19 -105.95 -69.39 147.90 91.14 4.35 4.51 60.53 15.86 14.56 1.02 3.74 0.00 2.64 1.66 33 D C C 97.52 4.35 11.46 17.48 109.66 -121.82 -87.21 125.19 87.74 4.63 7.63 53.90 16.14 17.17 1.59 6.47 0.00 2.30 2.43 34 A C T 81.36 3.73 10.38 15.63 98.66 -118.75 -78.19 -6.96 81.37 3.30 15.33 28.02 20.59 33.37 2.35 12.45 0.01 1.63 1.58 35 W C T 179.19 3.03 10.68 14.97 102.42 64.79 -89.34 12.73 83.40 3.38 13.21 23.99 21.81 38.16 2.11 10.61 0.01 1.76 1.56 36 G C C 50.61 3.46 12.07 16.96 111.03 -106.79 90.13 103.99 87.69 5.26 7.05 41.31 29.39 17.04 1.23 5.90 0.00 2.52 2.60 37 L C C 92.94 6.60 9.28 17.46 116.77 139.33 -92.57 135.67 93.60 5.10 1.29 65.62 25.67 2.34 0.53 0.75 0.00 2.38 2.71 38 P C C 85.08 4.79 11.73 18.10 112.28 -112.94 -69.83 147.74 93.11 4.05 2.84 74.08 14.99 3.73 1.61 1.23 0.00 1.96 2.39 39 T C C 84.76 4.42 10.99 17.06 116.57 -117.19 -90.27 140.18 83.40 2.80 13.80 64.73 13.21 4.80 11.30 3.05 0.00 1.22 1.68 40 P H H 93.61 5.00 10.61 17.19 100.08 -117.32 -68.38 -16.39 44.22 2.53 53.24 24.04 8.38 13.11 38.90 13.08 0.08 1.48 0.93 41 Q H H 123.56 3.12 11.86 16.41 101.35 68.37 -80.03 -10.04 34.35 4.19 61.46 17.93 7.07 10.97 44.77 15.13 0.15 2.87 1.10 42 Q H H 102.02 5.57 11.86 18.87 106.13 56.10 -86.12 51.88 32.65 5.74 61.60 20.52 6.27 7.72 46.17 13.83 0.09 4.13 1.27 43 A H H 56.91 6.78 11.70 19.92 107.81 55.41 -81.38 109.27 35.09 5.98 58.93 23.43 6.56 7.74 47.64 8.89 0.09 4.16 1.50 44 R H H 134.80 6.14 11.67 19.03 106.02 54.80 -82.24 42.30 35.53 5.55 58.92 18.82 7.29 12.34 47.76 8.20 0.21 3.86 1.51 45 G H H 46.02 4.69 12.92 18.90 105.65 55.05 -69.53 -22.76 42.90 3.84 53.26 18.98 9.35 16.92 42.23 8.56 0.21 2.56 1.20 46 K H H 136.90 3.44 12.93 17.55 103.85 51.75 -86.87 -1.54 45.58 4.93 49.49 22.38 11.06 14.57 37.93 9.17 0.20 3.15 1.56 47 A C H 58.69 7.32 10.15 18.75 112.02 85.94 -87.68 126.90 51.43 6.52 42.05 25.79 11.29 16.32 31.25 8.87 0.23 3.95 2.31 48 R C T 158.10 3.50 11.16 16.33 110.70 -128.63 -91.64 117.34 64.62 5.21 30.17 23.45 13.79 28.31 21.14 8.11 0.18 2.83 2.19 49 G C T 49.24 3.71 12.43 17.38 111.14 -5.31 80.94 -155.48 79.17 2.51 18.31 25.39 19.65 35.11 9.46 7.87 0.04 1.28 1.21 50 N C C 113.31 3.97 11.98 17.29 102.53 -34.10 -88.97 8.06 80.42 3.78 15.79 37.03 23.59 20.59 6.62 8.46 0.02 1.97 1.70 51 E C C 115.78 4.66 12.70 18.80 115.28 110.51 -92.48 133.38 79.97 7.68 12.35 44.30 21.92 14.34 5.35 6.66 0.03 4.26 3.14 52 Y C C 119.11 8.69 11.03 20.80 114.32 -120.78 -87.91 132.80 84.22 7.75 8.03 61.54 15.19 6.84 4.44 3.71 0.01 4.06 4.20 53 Q C C 80.21 7.28 12.20 21.20 113.15 -158.38 -104.37 113.43 95.33 1.82 2.85 85.05 9.07 1.11 2.44 0.54 0.00 0.86 0.93 54 P C H 82.22 5.58 12.29 19.69 94.74 -147.94 -62.82 -27.24 53.11 1.47 45.41 27.58 5.97 19.52 28.83 16.59 0.02 0.88 0.61 55 S H H 72.61 3.03 13.88 17.75 94.19 61.23 -74.74 -19.25 47.23 1.31 51.46 16.94 7.40 22.65 34.80 16.75 0.09 0.79 0.59 56 N H H 65.82 8.27 12.19 21.81 98.69 60.21 -82.94 -7.93 39.52 2.29 58.19 23.03 7.82 9.57 42.25 15.17 0.04 1.34 0.78 57 I H H 78.33 7.69 12.82 21.88 95.40 83.52 -66.02 -39.27 28.33 1.87 69.80 19.52 5.68 4.80 64.75 3.62 0.01 1.12 0.48 58 K H H 126.67 2.09 16.11 18.07 93.44 53.92 -65.76 -39.66 20.95 2.21 76.84 13.86 3.50 5.23 72.01 3.37 0.02 1.59 0.43 59 R H H 104.74 5.53 14.67 21.56 93.51 50.79 -67.35 -38.87 16.85 1.98 81.17 10.23 2.99 5.19 75.92 3.77 0.03 1.48 0.40 60 K H H 79.17 11.35 12.90 24.74 93.08 54.30 -66.00 -38.11 13.64 1.33 85.03 7.05 2.56 5.32 79.48 4.27 0.05 0.98 0.30 61 N H H 90.17 5.53 15.15 21.77 94.58 49.42 -72.32 -32.19 16.60 1.21 82.19 6.90 2.80 8.11 76.14 4.75 0.11 0.85 0.35 62 K H H 136.18 2.18 17.42 19.40 97.56 46.54 -78.18 -35.48 24.37 1.00 74.63 5.83 4.39 15.40 68.83 4.31 0.24 0.56 0.44 63 H H H 86.88 7.32 15.00 23.56 102.23 32.33 -100.96 -9.97 45.74 1.41 52.85 10.48 11.79 24.94 48.16 2.99 0.26 0.57 0.81 64 G H H 16.84 9.24 16.96 27.71 119.78 -135.64 88.09 -159.98 47.74 0.96 51.30 27.41 11.41 9.68 48.21 2.44 0.02 0.37 0.46 65 W H H 74.32 15.32 14.64 29.77 93.25 -61.46 -63.72 -37.38 8.29 0.13 91.58 2.10 1.45 4.93 88.24 3.11 0.06 0.07 0.05 66 V H H 75.31 5.76 17.72 24.48 91.95 53.57 -63.98 -40.78 3.40 0.07 96.53 0.76 0.43 2.17 92.82 3.74 0.01 0.05 0.02 67 R H H 132.21 2.95 19.11 22.03 92.30 49.88 -66.07 -39.02 2.25 0.04 97.71 0.42 0.24 1.50 92.40 5.40 0.01 0.03 0.01 68 R H H 61.68 12.20 14.40 27.49 92.56 50.17 -69.76 -32.68 4.34 0.04 95.62 0.49 0.37 3.26 89.76 6.06 0.02 0.02 0.01 69 L H H 55.14 12.77 12.90 26.33 92.58 58.31 -75.26 -15.27 27.80 0.13 72.07 1.65 1.65 24.33 66.71 5.44 0.07 0.05 0.09 70 S C T 84.68 1.96 16.86 18.81 93.73 63.60 -83.07 -10.89 73.60 0.33 26.07 5.53 7.61 59.51 23.51 3.38 0.04 0.11 0.30 71 T C S 52.12 6.57 10.99 19.77 122.48 88.37 -88.48 150.31 98.63 0.67 0.70 11.08 87.10 0.41 0.61 0.05 0.00 0.10 0.64 72 P H H 110.33 1.40 15.64 16.84 91.78 -115.95 -57.92 -37.29 13.02 0.02 86.96 0.40 1.15 11.65 85.20 1.54 0.03 0.01 0.01 73 A H H 58.34 4.33 16.20 21.56 91.70 53.24 -65.10 -37.95 12.68 0.01 87.31 0.37 0.67 11.57 85.84 1.53 0.01 0.00 0.01 74 G H H 7.10 15.08 12.70 29.06 91.86 51.50 -63.88 -42.05 3.87 0.02 96.11 0.71 0.46 2.47 95.04 1.29 0.01 0.01 0.01 75 V H H 62.99 7.47 17.44 26.11 91.40 51.34 -63.29 -41.55 0.55 0.00 99.45 0.14 0.05 0.27 99.32 0.21 0.00 0.00 0.00 76 Q H H 104.00 2.02 22.06 22.50 91.61 50.38 -64.69 -41.45 0.32 0.00 99.68 0.07 0.02 0.17 99.64 0.09 0.00 0.00 0.00 77 V H H 38.03 9.38 18.84 29.66 91.71 49.53 -63.95 -43.21 0.15 0.00 99.85 0.03 0.01 0.08 99.82 0.05 0.00 0.00 0.00 78 I H H 30.19 14.88 16.68 32.23 91.81 50.03 -63.52 -42.93 0.08 0.00 99.91 0.01 0.00 0.05 99.90 0.03 0.00 0.00 0.00 79 L H H 78.03 4.18 19.95 24.46 91.46 50.43 -63.04 -41.82 0.12 0.00 99.88 0.01 0.01 0.09 99.86 0.03 0.00 0.00 0.00 80 R H H 115.67 2.93 19.35 22.02 91.54 50.10 -64.33 -41.40 0.22 0.00 99.78 0.02 0.01 0.17 99.75 0.05 0.00 0.00 0.00 81 R H H 56.44 10.22 14.39 26.14 92.05 49.96 -64.80 -41.44 0.48 0.00 99.52 0.04 0.02 0.36 99.45 0.12 0.00 0.00 0.00 82 M H H 78.86 8.19 13.72 23.19 91.75 50.67 -63.69 -40.72 1.61 0.00 98.38 0.13 0.08 1.26 98.13 0.40 0.00 0.00 0.00 83 L H H 124.38 1.69 14.77 16.47 90.60 52.50 -65.51 -30.30 9.38 0.02 90.60 0.30 0.34 8.89 89.82 0.62 0.01 0.00 0.01 84 K C T 129.63 2.72 13.05 16.63 93.14 54.21 -85.10 -2.31 76.65 0.06 23.29 0.60 1.71 72.76 24.06 0.81 0.00 0.02 0.05 85 G C T 53.02 2.44 14.02 17.19 98.26 -99.90 85.28 8.12 97.13 0.11 2.76 3.90 4.27 89.10 2.29 0.35 0.00 0.05 0.05 86 R C C 104.41 8.31 9.39 19.07 110.80 134.18 -85.99 122.66 93.69 2.23 4.08 79.49 9.46 4.69 1.63 2.34 0.00 1.18 1.21 87 K C C 140.13 3.82 13.00 18.28 103.46 99.53 -92.37 -13.52 85.81 4.21 9.98 55.73 17.43 12.27 2.30 8.14 0.00 2.95 1.17 88 S C C 70.87 4.07 13.26 18.79 120.48 69.93 -106.15 139.80 79.65 8.58 11.77 52.46 14.21 12.67 2.60 9.65 0.01 6.39 2.00 89 L C C 92.31 8.99 9.29 19.06 109.11 -155.23 -91.84 92.53 77.88 11.04 11.08 53.04 12.77 11.63 3.11 8.41 0.01 8.16 2.87 90 S C C 74.95 4.00 10.41 16.15 114.98 98.13 -99.00 137.20 89.18 6.72 4.10 79.01 2.98 7.21 1.39 2.32 0.00 5.25 1.84 91 H C C 128.75 5.61 11.38 18.45 110.44 -148.57 -93.92 106.71 99.71 0.24 0.04 99.44 0.24 0.12 0.02 0.01 0.00 0.14 0.04