# 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 90.03 8.01 10.65 19.94 116.99 -151.93 -92.61 141.46 99.77 0.18 0.04 99.69 0.14 0.03 0.02 0.00 0.00 0.08 0.03 1 D C C 90.29 2.50 13.00 16.11 112.06 -115.40 -78.79 137.52 85.73 3.51 10.76 84.69 0.69 1.15 10.21 0.42 0.00 1.15 1.70 2 L H H 101.38 5.55 9.96 17.00 93.73 -130.89 -62.24 -36.04 5.80 0.06 94.15 2.61 0.86 2.27 93.45 0.77 0.00 0.02 0.02 3 K H H 130.39 2.38 12.98 16.20 92.35 53.49 -65.03 -39.66 1.91 0.02 98.06 0.58 0.25 1.02 97.40 0.73 0.00 0.01 0.00 4 Q H H 96.28 2.11 14.60 16.87 92.09 50.46 -65.34 -40.37 0.75 0.02 99.23 0.25 0.11 0.37 98.64 0.62 0.00 0.01 0.00 5 Q H H 79.56 4.85 14.38 20.57 92.01 50.79 -64.80 -41.12 0.61 0.02 99.38 0.20 0.08 0.30 99.14 0.26 0.00 0.01 0.00 6 V H H 57.39 6.31 14.71 22.52 91.97 49.90 -64.48 -41.92 0.67 0.01 99.31 0.22 0.07 0.36 99.22 0.13 0.00 0.01 0.00 7 K H H 114.38 2.56 17.69 20.20 91.83 50.63 -63.75 -41.35 0.62 0.01 99.37 0.15 0.05 0.35 99.35 0.09 0.00 0.00 0.00 8 N H H 80.19 3.10 17.32 20.67 92.22 49.56 -65.09 -40.78 0.87 0.01 99.12 0.16 0.07 0.55 99.09 0.12 0.00 0.00 0.00 9 Y H H 94.95 6.67 16.14 23.83 92.35 50.48 -64.51 -41.73 0.88 0.01 99.11 0.15 0.07 0.57 99.02 0.18 0.00 0.00 0.00 10 T H H 62.98 5.20 16.33 22.52 92.22 50.26 -64.46 -40.92 1.19 0.01 98.79 0.20 0.11 0.80 98.62 0.26 0.00 0.01 0.00 11 M H H 96.44 2.33 16.65 18.79 92.02 51.03 -64.82 -40.75 2.25 0.03 97.72 0.40 0.21 1.53 97.25 0.57 0.00 0.01 0.01 12 T H H 63.83 4.14 14.71 19.92 92.66 50.50 -66.23 -39.49 5.62 0.07 94.30 1.08 0.57 3.92 93.17 1.18 0.01 0.04 0.02 13 I H H 78.12 6.65 13.16 20.96 93.13 50.67 -67.43 -37.50 9.58 0.15 90.27 2.37 1.29 6.06 87.97 2.14 0.03 0.08 0.06 14 R H H 151.08 2.88 14.09 17.89 92.85 55.79 -70.00 -26.39 21.15 0.28 78.57 5.26 2.90 13.27 75.70 2.54 0.05 0.13 0.14 15 N C H 110.25 2.51 12.32 15.70 96.29 55.28 -82.95 -1.47 52.11 0.71 47.19 15.53 6.27 30.60 43.74 3.14 0.03 0.29 0.39 16 T C C 88.61 4.66 10.10 16.34 101.99 83.38 -85.36 6.89 75.13 1.62 23.25 42.22 13.10 19.12 21.17 2.80 0.01 0.61 0.96 17 R C C 162.83 2.18 11.38 15.04 117.38 106.46 -99.84 133.58 97.59 1.68 0.72 57.24 39.57 0.92 0.50 0.19 0.00 0.56 1.01 18 P C C 98.81 3.28 11.25 16.36 115.07 -104.21 -66.73 146.80 99.51 0.33 0.15 94.82 4.50 0.26 0.08 0.04 0.00 0.14 0.16 19 P C C 81.33 7.34 9.09 17.89 114.15 -104.23 -68.11 149.62 97.49 0.61 1.90 93.56 3.09 1.07 1.13 0.51 0.00 0.24 0.39 20 T C C 101.12 2.61 12.35 16.28 113.64 -105.29 -79.52 141.67 87.58 2.89 9.53 79.33 5.38 3.23 5.55 3.48 0.00 1.59 1.44 21 M C C 130.14 3.72 10.65 16.29 113.76 -114.13 -80.15 137.47 74.40 9.92 15.68 58.99 9.90 5.07 9.03 6.90 0.01 6.55 3.55 22 I C C 88.83 8.21 8.12 17.45 115.07 -141.56 -92.45 131.03 59.66 18.11 22.23 44.60 8.53 5.61 12.06 10.89 0.04 13.07 5.21 23 K C C 145.90 2.52 11.42 15.18 109.89 -138.29 -86.92 138.13 61.17 13.38 25.45 37.57 12.96 11.26 11.02 14.19 0.05 10.69 2.27 24 E C C 137.33 2.90 11.68 15.97 113.34 -108.22 -86.48 128.43 66.40 9.59 24.02 40.41 12.63 13.98 8.48 15.19 0.04 7.40 1.88 25 Q C C 98.72 8.15 8.98 18.11 113.30 -152.59 -92.17 133.84 78.97 6.67 14.36 42.80 19.44 17.32 5.66 8.23 0.01 4.77 1.75 26 D C C 125.42 1.20 13.81 14.85 102.18 -141.90 -92.85 28.61 87.77 4.40 7.83 51.19 18.98 18.07 2.61 4.94 0.01 2.84 1.36 27 K C C 76.41 10.46 8.71 20.03 119.39 120.43 -92.38 147.45 92.88 4.22 2.90 66.11 25.26 1.86 1.84 1.00 0.00 2.11 1.83 28 S C C 62.65 2.25 17.27 18.88 118.99 -111.03 -73.89 160.03 93.20 4.53 2.28 89.34 3.37 0.75 1.85 0.39 0.00 2.16 2.13 29 E H H 109.29 8.54 12.24 21.91 92.66 -105.71 -58.76 -39.04 5.54 0.04 94.42 1.44 0.93 3.07 93.71 0.80 0.00 0.01 0.02 30 F H H 129.07 2.40 16.88 19.31 92.17 52.40 -64.93 -39.62 3.52 0.02 96.46 0.60 0.38 2.42 95.72 0.86 0.01 0.01 0.01 31 S H H 42.89 5.65 17.53 24.43 92.22 50.54 -65.11 -40.66 1.41 0.02 98.58 0.47 0.16 0.77 97.79 0.81 0.00 0.01 0.00 32 H H H 31.93 16.04 14.93 31.36 92.49 50.93 -64.48 -41.86 0.61 0.01 99.38 0.19 0.06 0.32 99.20 0.24 0.00 0.00 0.00 33 F H H 84.58 9.09 19.87 29.45 91.71 50.61 -63.56 -42.18 0.28 0.00 99.71 0.06 0.02 0.16 99.69 0.06 0.00 0.00 0.00 34 R H H 126.48 2.97 23.32 25.65 91.82 50.11 -64.20 -41.70 0.22 0.00 99.77 0.04 0.01 0.14 99.77 0.05 0.00 0.00 0.00 35 A H H 21.67 12.13 18.78 32.08 91.75 50.59 -64.01 -41.98 0.25 0.00 99.75 0.03 0.01 0.17 99.74 0.05 0.00 0.00 0.00 36 L H H 35.47 15.30 19.21 34.44 92.06 50.31 -64.87 -41.09 0.28 0.00 99.72 0.03 0.02 0.19 99.69 0.06 0.00 0.00 0.00 37 Q H H 79.92 5.26 21.66 27.29 91.62 51.29 -64.11 -41.48 0.54 0.01 99.46 0.07 0.03 0.39 99.37 0.13 0.00 0.00 0.00 38 V H H 51.99 5.14 19.21 25.53 91.61 50.44 -64.00 -42.12 1.18 0.02 98.80 0.21 0.11 0.83 98.42 0.41 0.00 0.01 0.00 39 L H H 37.25 13.55 14.89 29.19 92.32 50.00 -65.41 -40.50 1.68 0.02 98.30 0.21 0.12 1.30 97.43 0.92 0.00 0.01 0.00 40 A H H 52.93 9.78 15.32 25.89 91.46 54.26 -66.99 -29.46 7.68 0.03 92.29 0.38 0.39 6.90 91.19 1.09 0.02 0.01 0.02 41 N C T 108.62 1.99 16.93 18.44 94.41 48.12 -90.35 -2.04 55.52 0.12 44.36 1.49 2.80 49.29 45.04 1.23 0.02 0.04 0.09 42 G C T 51.45 4.42 12.02 18.29 96.24 -114.43 79.89 10.35 99.12 0.13 0.76 13.28 12.15 73.84 0.33 0.28 0.00 0.07 0.05 43 D C C 91.46 2.85 13.45 17.82 118.38 133.92 -91.78 143.49 98.33 1.27 0.40 56.53 39.50 2.38 0.12 0.25 0.00 0.50 0.72 44 E C C 138.85 3.60 14.29 19.69 110.10 -112.88 -75.84 129.34 98.51 1.09 0.41 70.95 26.02 1.53 0.14 0.25 0.00 0.50 0.61 45 V C C 45.56 12.55 10.17 23.59 120.63 -161.24 -105.46 136.85 98.52 1.08 0.40 86.47 11.70 0.35 0.28 0.11 0.00 0.41 0.68 46 P C C 72.57 3.91 18.03 22.36 111.88 -105.44 -65.94 145.22 97.47 0.86 1.67 94.90 1.98 0.79 1.26 0.25 0.00 0.32 0.50 47 Y H H 97.95 13.52 11.91 25.33 93.94 -119.08 -60.55 -37.96 20.80 0.57 78.63 10.14 4.74 7.31 64.04 13.19 0.04 0.29 0.25 48 E H H 119.05 4.43 17.01 22.49 92.49 57.68 -64.96 -35.27 11.85 0.32 87.83 3.05 1.70 6.56 70.42 17.92 0.05 0.22 0.09 49 A H H 51.45 5.12 16.92 22.97 93.14 52.42 -68.51 -35.19 10.80 0.68 88.52 2.98 1.59 5.77 69.29 19.70 0.05 0.50 0.13 50 T H H 30.10 14.62 13.60 28.68 96.14 51.42 -75.93 -31.47 18.85 4.29 76.86 7.96 3.83 8.05 63.81 11.72 0.24 3.54 0.85 51 L H H 61.18 13.18 14.36 27.60 96.41 59.73 -71.59 -22.06 29.44 20.34 50.22 16.22 5.76 8.05 42.07 7.45 0.27 18.18 2.00 52 R H H 141.31 4.72 17.71 22.95 98.09 62.59 -79.77 -23.71 34.25 28.52 37.23 18.04 6.33 9.35 31.76 5.87 0.31 26.46 1.88 53 N E E 85.40 6.90 16.79 24.34 104.37 49.19 -96.15 8.85 32.26 39.82 27.92 18.68 5.41 7.75 24.64 5.08 0.24 36.08 2.13 54 V E E 47.73 15.24 11.35 26.56 114.88 103.41 -90.81 129.10 31.85 54.88 13.27 24.04 3.99 2.64 13.17 2.27 0.05 50.98 2.85 55 I E E 97.09 5.94 16.27 23.22 114.01 -158.71 -102.69 121.33 35.56 55.00 9.44 26.94 4.49 2.92 9.31 1.86 0.04 51.66 2.77 56 H C E 92.19 9.94 10.93 21.75 117.23 -151.93 -102.12 129.93 51.67 41.69 6.64 39.03 7.07 4.14 5.47 1.90 0.04 39.36 3.00 57 D C C 98.75 4.36 12.74 18.61 108.58 -160.18 -93.86 102.17 74.57 18.73 6.71 40.70 15.70 19.03 2.94 3.39 0.04 16.05 2.15 58 G C T 48.50 4.35 11.15 17.05 110.71 -89.72 83.16 -16.62 86.40 5.34 8.26 25.10 28.11 34.34 1.65 5.95 0.01 3.42 1.42 59 A C C 82.76 2.87 11.29 15.42 105.23 4.88 -86.81 47.61 86.11 5.58 8.30 33.98 28.96 23.93 1.44 6.61 0.01 3.36 1.72 60 R C C 151.87 4.08 9.75 15.64 113.14 104.46 -91.91 126.13 84.51 9.46 6.03 39.27 32.04 13.88 1.30 4.66 0.01 5.12 3.73 61 Q C C 124.83 3.08 10.96 15.97 117.87 -128.53 -91.26 138.68 93.25 6.15 0.59 56.44 36.06 1.35 0.17 0.41 0.00 3.84 1.73 62 P C C 80.21 6.58 9.35 17.61 114.23 -106.52 -66.45 148.51 92.41 6.22 1.38 82.17 6.13 3.90 0.36 1.06 0.00 4.26 2.12 63 K C C 155.24 2.24 10.81 14.55 109.55 -128.02 -84.69 120.23 91.69 7.19 1.12 62.00 25.43 3.91 0.35 0.84 0.00 2.85 4.61 64 L C C 104.66 4.44 8.52 14.98 119.72 -135.87 -98.32 140.01 96.96 2.77 0.28 53.67 43.18 0.59 0.11 0.12 0.00 1.12 1.21 65 P C C 97.39 2.29 10.97 14.63 115.61 -102.61 -66.76 150.51 98.22 0.65 1.12 88.86 7.92 1.57 0.45 0.55 0.00 0.36 0.29 66 P C C 104.51 3.03 9.65 14.69 112.94 -99.72 -65.70 144.90 92.61 1.81 5.58 82.62 5.16 5.02 1.91 3.40 0.00 0.99 0.91 67 R C C 151.90 4.34 7.96 14.32 113.08 -121.22 -84.85 138.31 83.90 6.20 9.90 70.93 7.93 4.71 3.85 6.15 0.00 3.50 2.93 68 Q C C 139.96 1.70 10.16 13.12 113.87 -127.10 -87.15 134.37 77.89 9.71 12.40 62.23 10.76 4.95 5.51 6.86 0.01 6.62 3.08 69 T C C 92.76 4.58 7.69 14.04 113.23 -140.81 -91.10 131.56 77.62 11.44 10.94 61.75 9.60 6.03 4.87 6.07 0.01 7.99 3.68 70 Q C C 129.21 2.86 8.72 13.37 112.43 -148.34 -91.44 125.70 79.58 12.47 7.96 54.45 17.56 7.75 3.37 4.47 0.01 8.32 4.06 71 K C C 156.36 1.83 9.44 12.73 109.96 -147.20 -90.74 118.17 84.96 11.20 3.83 50.04 29.97 5.51 1.59 2.13 0.01 6.94 3.81 72 H C C 122.74 3.98 9.22 14.98 117.47 -124.43 -99.54 133.10 93.64 5.40 0.96 67.89 23.08 2.79 0.32 0.64 0.00 3.60 1.68 73 P C C 98.42 3.52 11.13 16.36 110.29 -107.86 -68.84 140.62 92.60 3.65 3.75 40.20 17.25 35.54 0.68 3.03 0.00 2.58 0.72 74 G C T 42.97 5.42 12.40 19.21 117.26 52.90 117.49 15.68 79.00 16.32 4.67 27.21 20.03 33.52 0.73 3.82 0.01 13.07 1.61 75 Y C E 122.07 7.30 11.69 20.41 120.86 115.93 -104.82 142.12 50.44 43.91 5.65 32.67 12.73 6.30 1.65 4.07 0.09 37.27 5.23 76 I E E 87.10 6.96 12.12 20.82 121.23 -157.96 -110.85 137.33 36.92 59.09 3.99 26.54 8.70 3.62 1.64 2.35 0.09 53.70 3.37 77 R E E 134.68 5.63 11.05 18.50 118.22 -145.37 -101.19 134.98 25.61 71.07 3.32 18.34 4.72 1.90 2.46 1.48 0.09 56.45 14.55 78 N C C 76.69 6.30 9.20 17.19 119.78 -142.72 -89.27 158.75 66.38 32.11 1.50 58.03 4.94 2.04 0.59 0.89 0.00 29.82 3.69 79 E C T 164.49 0.98 10.08 11.56 93.49 -105.69 -66.40 -22.73 91.26 6.02 2.73 5.71 14.30 71.36 0.29 2.40 0.00 5.18 0.76 80 S C T 91.05 1.06 9.89 11.11 96.43 53.86 -91.29 1.18 95.35 2.05 2.60 3.72 13.99 77.58 0.21 2.48 0.00 1.50 0.51 81 G C S 50.01 2.95 10.70 14.99 104.32 -97.03 89.82 3.77 92.95 4.60 2.45 18.54 50.43 24.06 0.20 2.45 0.00 3.38 0.94 82 G C C 37.97 5.21 10.61 17.38 121.80 131.10 -93.18 170.29 82.96 16.19 0.85 55.81 20.16 7.09 0.15 0.82 0.00 14.29 1.68 83 F E E 127.94 5.13 11.31 18.14 121.09 -100.66 -104.26 141.94 38.44 60.68 0.88 28.25 6.88 1.72 0.39 0.66 0.01 47.25 14.85 84 F E E 111.97 7.36 10.54 19.44 123.18 -159.15 -112.47 142.66 35.38 63.77 0.85 26.76 5.84 1.88 0.38 0.66 0.01 55.99 8.48 85 T C C 86.45 5.05 11.48 18.40 123.26 -157.12 -115.16 146.68 55.84 43.61 0.54 49.95 2.43 1.68 0.19 0.39 0.00 40.23 5.12 86 S C C 71.00 6.29 12.59 20.31 114.27 -123.59 -87.69 140.60 99.03 0.95 0.02 98.89 0.24 0.07 0.01 0.00 0.00 0.75 0.05