# 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 74.93 12.79 15.25 27.99 119.77 -171.50 -102.90 137.73 99.59 0.28 0.13 99.44 0.17 0.10 0.08 0.01 0.00 0.15 0.04 1 T C C 71.96 7.31 16.79 24.89 118.60 -152.66 -102.62 139.90 71.38 12.17 16.45 66.63 1.81 2.84 15.70 1.46 0.00 8.26 3.30 2 V C H 56.82 14.09 13.32 27.28 103.11 -145.84 -81.27 -12.16 46.89 14.38 38.72 34.61 6.43 5.20 35.98 3.37 0.04 12.73 1.64 3 R H H 116.87 9.31 16.59 26.22 99.85 70.86 -76.98 -25.83 39.44 16.36 44.20 27.50 5.73 5.11 40.64 3.67 0.04 16.10 1.20 4 S H H 53.81 9.00 17.69 27.07 103.54 59.01 -86.31 -17.05 31.62 21.50 46.89 22.24 4.13 4.10 42.35 3.83 0.04 22.15 1.16 5 I H H 57.33 13.56 17.27 30.78 105.62 51.42 -86.46 15.61 23.09 26.81 50.11 15.78 2.93 3.08 46.17 3.08 0.04 27.84 1.06 6 V H H 39.71 15.90 18.11 33.64 108.46 50.44 -88.15 96.52 19.33 31.68 48.99 12.64 2.33 2.69 45.81 2.75 0.03 32.79 0.95 7 V H H 48.26 13.57 19.19 32.62 111.02 50.75 -96.01 117.40 17.59 33.10 49.31 10.94 2.27 2.88 45.97 2.97 0.04 34.04 0.89 8 S H H 42.96 10.96 20.75 31.79 111.74 52.72 -93.11 125.11 19.99 32.54 47.47 11.69 2.79 4.00 43.87 3.50 0.06 33.08 1.01 9 L H H 42.69 16.44 19.19 34.90 106.90 -138.95 -86.71 68.29 21.60 33.15 45.25 11.92 3.43 5.30 41.80 3.88 0.11 32.22 1.34 10 I H H 41.61 17.45 17.94 34.57 109.27 55.84 -91.58 98.96 24.24 34.65 41.11 13.92 4.14 5.72 38.41 3.69 0.15 31.89 2.08 11 R C H 113.86 9.73 19.30 28.96 108.07 -149.77 -85.01 107.36 38.71 24.30 37.00 18.45 6.14 12.89 34.16 3.99 0.20 22.00 2.15 12 G C C 35.91 9.67 17.96 27.61 105.30 24.22 45.92 -4.06 62.83 9.81 27.35 27.41 10.57 24.25 24.06 4.28 0.11 7.65 1.66 13 A C C 42.05 13.70 13.60 27.16 109.19 107.51 -84.91 109.07 66.73 9.16 24.11 33.39 14.71 18.87 19.37 5.12 0.10 6.28 2.17 14 N C C 92.83 6.63 15.14 22.75 110.87 -151.23 -92.88 112.19 73.60 8.15 18.26 38.81 17.04 18.12 13.50 4.94 0.05 5.17 2.36 15 K C C 126.42 5.97 12.93 20.23 104.24 -156.24 -85.33 13.12 69.51 6.44 24.05 35.55 19.00 15.70 17.10 6.67 0.07 3.82 2.10 16 A C C 67.13 5.51 11.91 18.86 107.87 87.87 -83.60 97.27 72.11 4.27 23.63 35.94 18.60 18.17 14.54 8.75 0.04 2.42 1.55 17 S C C 73.06 4.90 11.69 18.07 106.86 -74.50 -82.46 74.67 75.43 3.73 20.84 45.34 12.44 17.59 11.79 9.18 0.01 2.22 1.43 18 R C C 145.35 5.37 11.77 18.61 109.66 96.05 -90.54 103.80 77.49 4.96 17.55 42.27 16.81 18.70 10.06 7.39 0.02 2.97 1.77 19 Q C C 116.83 5.01 12.71 19.34 112.20 124.22 -94.17 121.19 80.76 6.97 12.27 51.37 17.52 11.65 7.57 5.10 0.01 4.86 1.93 20 H C C 105.58 8.44 12.49 22.07 115.54 -151.54 -97.89 127.35 79.57 10.39 10.05 58.82 12.71 7.40 6.74 3.80 0.01 7.73 2.79 21 Q C C 112.47 6.32 14.17 21.98 114.34 -159.84 -97.48 130.76 75.88 11.90 12.22 54.46 11.20 9.62 8.30 4.39 0.01 8.89 3.14 22 G C C 35.46 8.74 15.44 24.81 120.86 77.91 130.34 173.74 73.71 13.19 13.10 41.57 18.52 14.10 8.54 4.75 0.03 10.03 2.45 23 D C C 90.37 6.91 18.13 25.85 113.90 -89.74 -89.75 130.23 67.13 19.46 13.41 46.82 13.33 6.48 10.11 4.06 0.04 15.17 3.99 24 I C C 32.24 19.36 12.58 31.37 117.25 -152.15 -100.66 130.37 68.82 22.36 8.82 56.81 9.09 1.98 8.39 1.53 0.01 14.52 7.66 25 G C C 28.32 6.51 20.79 27.66 123.07 -139.66 -85.37 167.73 82.17 9.98 7.85 75.77 4.84 1.51 7.98 0.90 0.00 6.49 2.52 26 R H H 120.24 11.44 15.76 27.30 92.63 -99.73 -61.21 -37.57 4.44 0.14 95.43 2.11 0.86 1.72 94.43 0.76 0.01 0.07 0.03 27 E H H 121.92 2.56 20.55 22.95 92.17 53.10 -65.02 -39.94 2.12 0.09 97.79 0.77 0.32 1.12 97.04 0.67 0.01 0.06 0.01 28 A H H 25.48 10.73 18.23 30.29 92.49 50.24 -65.93 -41.36 1.25 0.10 98.65 0.52 0.18 0.62 97.94 0.64 0.00 0.08 0.01 29 V H H 14.29 20.25 17.04 37.00 92.44 50.39 -64.81 -43.31 0.79 0.07 99.14 0.32 0.12 0.38 98.83 0.28 0.00 0.05 0.01 30 V H H 49.16 10.54 21.00 32.06 91.86 50.08 -63.81 -42.38 0.85 0.07 99.08 0.30 0.11 0.45 98.92 0.16 0.00 0.05 0.01 31 D H H 75.09 3.74 24.22 27.43 91.87 49.76 -64.65 -41.30 1.12 0.07 98.81 0.34 0.12 0.66 98.64 0.17 0.00 0.05 0.01 32 L H H 25.29 15.56 20.19 35.94 92.04 50.09 -65.03 -42.75 1.18 0.07 98.75 0.32 0.14 0.76 98.52 0.20 0.01 0.05 0.01 33 I H H 24.56 19.30 19.10 37.71 92.41 49.50 -64.60 -42.07 1.15 0.08 98.77 0.32 0.13 0.75 98.52 0.20 0.01 0.05 0.01 34 Q H H 88.91 6.29 22.13 28.77 92.07 50.47 -64.59 -40.76 2.06 0.10 97.84 0.54 0.23 1.39 97.43 0.30 0.01 0.07 0.02 35 Q H H 91.09 4.55 22.15 26.64 92.47 49.28 -66.74 -39.79 4.29 0.12 95.59 0.97 0.46 2.99 94.87 0.57 0.03 0.08 0.04 36 S H H 17.78 14.94 16.41 31.96 93.23 51.22 -66.69 -38.69 8.58 0.21 91.21 1.85 1.00 5.86 90.02 1.03 0.04 0.12 0.07 37 A H H 36.93 12.34 15.98 28.77 93.37 53.97 -68.44 -32.99 18.13 0.49 81.39 4.04 2.30 11.94 79.63 1.56 0.08 0.25 0.20 38 A H H 72.07 3.53 16.94 21.03 95.27 57.76 -73.65 -21.92 36.97 1.42 61.60 10.31 5.67 21.83 58.63 2.16 0.12 0.72 0.58 39 K C H 123.07 5.06 13.78 20.06 102.97 68.08 -83.78 7.67 55.86 3.10 41.04 18.21 11.91 26.19 37.96 2.91 0.13 1.63 1.07 40 Q C C 110.09 6.83 12.58 20.56 104.86 112.43 -84.48 57.63 69.46 3.52 27.02 27.50 15.10 26.67 23.83 3.77 0.05 1.91 1.17 41 S C C 73.92 5.13 14.12 20.58 106.93 116.49 -88.82 53.49 80.87 3.64 15.50 34.41 17.64 29.34 10.97 4.30 0.02 2.21 1.11 42 G C C 38.79 7.77 15.22 23.77 110.57 -7.46 94.51 -29.26 81.33 9.66 9.01 38.41 22.61 21.38 4.78 3.83 0.03 7.23 1.73 43 I C C 76.91 11.68 13.74 25.78 113.45 -45.41 -92.18 130.28 63.90 26.70 9.40 41.90 14.77 7.09 6.48 3.44 0.08 22.03 4.22 44 R C C 107.00 10.51 15.78 26.77 114.43 -153.29 -93.22 130.19 57.82 32.18 10.00 42.66 8.95 5.54 6.95 3.51 0.05 28.63 3.70 45 K C T 117.78 8.16 17.39 26.26 110.76 -141.35 -83.21 125.15 55.99 28.49 15.53 19.77 11.19 26.89 9.78 5.39 0.24 24.30 2.46 46 G C T 33.02 10.52 18.33 28.81 103.96 26.36 90.13 -4.29 61.59 23.55 14.86 18.05 14.59 30.46 8.24 5.62 0.20 21.13 1.70 47 W C E 67.61 16.97 15.36 31.83 115.80 128.30 -98.41 129.87 47.43 36.95 15.62 31.56 9.59 6.91 10.26 4.99 0.08 34.75 1.86 48 Q E E 83.28 9.87 21.92 31.75 116.34 -156.45 -99.58 127.89 28.48 57.71 13.81 19.80 5.16 4.09 11.08 3.49 0.07 54.37 1.94 49 V E E 31.47 19.89 16.22 35.28 119.86 -157.68 -107.34 131.65 23.37 63.67 12.96 17.51 3.26 2.37 11.39 2.61 0.04 61.29 1.52 50 K E E 91.89 10.30 21.74 31.83 119.50 -162.28 -103.54 137.72 25.32 61.43 13.25 17.79 4.09 3.19 11.11 2.84 0.03 59.70 1.24 51 A E E 40.46 14.12 18.76 32.50 114.87 -121.54 -89.74 136.08 32.35 51.58 16.06 21.67 6.02 4.74 12.47 3.94 0.05 49.69 1.43 52 A E E 29.48 16.66 16.21 32.36 113.68 -141.97 -92.46 134.89 38.76 42.34 18.91 26.52 6.90 5.46 12.80 5.70 0.06 41.09 1.47 53 T E E 69.15 9.20 19.82 29.16 109.76 -153.08 -94.69 91.17 37.72 42.39 19.90 18.39 11.13 9.87 12.28 6.66 0.19 39.91 1.57 54 W E E 96.68 12.41 18.13 30.49 109.84 54.45 -92.23 110.03 29.64 50.90 19.46 14.89 8.01 8.52 12.62 6.16 0.15 48.16 1.47 55 V E E 36.64 18.00 15.12 32.44 116.68 -165.50 -104.19 128.11 24.30 61.03 14.67 16.29 5.04 3.87 11.13 3.72 0.07 58.38 1.50 56 K E E 91.79 9.79 19.74 29.71 117.13 -168.78 -104.79 135.26 24.18 66.33 9.49 16.40 4.71 3.48 6.69 2.59 0.04 65.04 1.04 57 R E E 110.71 11.37 17.84 29.24 118.91 -131.02 -101.07 132.59 23.00 70.51 6.49 16.44 4.50 2.77 4.36 1.99 0.04 68.73 1.15 58 V E E 37.84 15.28 14.88 30.58 121.90 -166.92 -116.35 132.34 25.01 71.16 3.83 19.93 3.69 1.60 2.58 1.19 0.02 69.84 1.16 59 H E E 106.98 6.66 18.50 26.14 114.98 -136.47 -91.46 127.98 30.11 67.30 2.59 26.00 2.61 1.28 1.54 0.94 0.01 66.41 1.20 60 V C E 42.81 15.52 11.11 26.63 116.94 -162.65 -106.50 128.07 49.25 47.44 3.32 39.82 5.86 2.96 1.66 1.52 0.02 46.39 1.77 61 D C C 98.55 4.05 14.98 20.31 110.69 -155.11 -98.19 109.10 73.04 24.31 2.64 50.17 12.90 9.10 0.78 1.71 0.00 23.94 1.39 62 R C C 137.34 6.27 12.48 20.00 103.98 -98.97 -96.50 33.91 84.77 11.75 3.47 42.10 20.13 23.17 0.80 2.52 0.00 9.81 1.48 63 G C C 44.47 4.16 14.63 19.83 113.93 -67.49 89.71 -142.01 86.33 11.15 2.52 34.48 26.72 25.82 0.36 2.22 0.00 9.15 1.25 64 D C C 96.95 5.51 15.32 22.04 110.17 -30.54 -91.27 116.92 72.21 25.90 1.89 36.59 23.84 13.11 0.30 1.73 0.00 22.52 1.91 65 V C E 45.10 14.19 13.85 28.58 121.25 -159.89 -108.94 134.68 52.80 46.17 1.03 36.46 14.27 3.59 0.26 0.87 0.00 41.91 2.64 66 K E E 97.88 9.45 21.06 30.79 111.70 -132.40 -86.17 124.06 42.10 57.55 0.35 37.68 3.07 0.64 0.10 0.24 0.00 56.68 1.59 67 V E E 21.13 18.77 17.55 36.08 110.23 -175.68 -105.41 33.87 37.25 62.54 0.21 28.23 7.52 0.91 0.05 0.15 0.00 62.56 0.58 68 G E E 9.27 17.06 18.30 35.06 138.18 -43.03 -171.81 174.18 9.69 90.22 0.09 6.93 2.07 0.39 0.02 0.05 0.00 90.40 0.14 69 R E E 90.19 8.76 20.05 29.83 132.90 -128.36 -134.62 151.66 1.24 98.74 0.03 1.09 0.09 0.02 0.01 0.01 0.00 98.73 0.05 70 L E E 79.58 10.58 12.57 24.18 115.24 -122.98 -94.79 127.20 1.50 98.47 0.03 1.29 0.10 0.03 0.01 0.01 0.00 98.49 0.07 71 E E E 98.95 5.72 10.67 18.39 119.87 174.80 -132.39 119.23 8.36 91.40 0.23 4.92 2.13 1.37 0.04 0.19 0.00 91.01 0.34 72 G C T 69.52 0.31 12.34 10.51 95.15 -19.35 57.09 30.32 99.09 0.61 0.29 0.98 6.67 91.47 0.01 0.31 0.00 0.49 0.06 73 G C T 59.54 2.26 11.08 14.46 96.16 -44.89 81.76 2.43 99.55 0.22 0.24 0.96 8.39 90.20 0.01 0.25 0.00 0.16 0.02 74 E E E 114.98 2.65 14.84 18.84 127.06 95.53 -117.26 148.15 8.29 91.68 0.04 5.25 2.55 0.29 0.01 0.03 0.00 91.61 0.27 75 F E E 76.07 14.20 10.87 25.34 115.23 -118.46 -84.52 132.82 1.41 98.59 0.00 1.27 0.05 0.01 0.00 0.00 0.00 98.63 0.04 76 Q E E 72.64 7.79 17.90 27.01 124.18 -169.88 -122.25 140.43 0.93 99.06 0.00 0.87 0.03 0.00 0.00 0.00 0.00 99.08 0.02 77 V E E 72.42 10.56 16.42 27.75 113.88 -123.79 -81.56 131.13 3.11 96.87 0.02 2.93 0.13 0.02 0.00 0.01 0.00 96.65 0.26 78 L C C 26.75 16.75 12.43 29.74 111.29 -146.68 -96.45 117.44 60.67 37.31 2.02 58.45 1.49 0.48 0.42 1.33 0.00 37.24 0.59 79 P C G 82.50 5.42 18.10 24.65 94.24 -147.18 -64.29 -27.14 49.85 25.17 24.98 19.23 11.44 19.52 0.98 25.06 0.01 23.06 0.70 80 H C G 103.49 7.51 18.30 26.35 102.03 48.32 -96.29 24.02 50.26 25.68 24.06 16.90 12.23 22.82 1.07 23.44 0.01 22.48 1.05 81 L C C 30.37 19.54 14.44 33.36 106.48 116.26 -85.67 87.03 52.46 29.61 17.93 34.50 12.25 7.37 1.89 16.53 0.03 23.93 3.50 82 R C C 93.09 11.15 22.89 34.04 119.73 111.55 -106.48 130.11 69.23 30.51 0.26 47.18 22.51 0.80 0.07 0.22 0.00 26.65 2.58 83 P C C 19.48 20.96 17.23 37.90 115.56 -114.35 -67.90 147.14 71.33 28.33 0.34 61.82 6.92 1.01 0.07 0.30 0.00 29.10 0.79 84 R E E 81.19 13.65 23.44 36.43 124.70 -156.35 -118.56 139.50 36.89 62.42 0.69 28.36 7.81 1.60 0.17 0.58 0.00 59.64 1.84 85 Y E E 40.83 19.86 20.19 39.28 118.20 -141.58 -101.14 130.97 19.99 79.59 0.42 16.32 3.33 0.74 0.14 0.32 0.00 76.69 2.45 86 F E E 40.93 15.92 23.05 38.78 118.99 -162.82 -109.53 127.81 19.31 80.49 0.20 16.12 2.71 0.37 0.09 0.14 0.00 76.87 3.70 87 V C C 19.02 19.69 18.75 38.16 120.73 -161.71 -111.31 129.28 55.25 44.68 0.07 49.22 4.52 0.19 0.02 0.06 0.00 44.74 1.25 88 P C C 26.36 13.76 16.87 31.81 114.00 -111.30 -67.16 148.04 78.17 19.35 2.48 70.41 4.52 2.43 0.56 2.07 0.00 18.66 1.36 89 A C T 67.21 7.10 16.33 24.49 94.95 -119.30 -64.41 -27.42 83.30 4.01 12.69 17.92 22.26 43.32 1.54 11.23 0.01 2.46 1.25 90 D C T 83.18 4.37 16.94 21.99 102.38 55.35 -93.86 59.40 86.36 2.25 11.39 34.53 13.08 38.10 1.73 10.40 0.00 1.21 0.93 91 L C C 37.33 18.46 8.65 25.72 96.15 146.93 -72.27 -10.19 65.92 2.19 31.89 33.40 8.79 22.80 3.65 29.15 0.00 1.11 1.08 92 D C T 111.26 2.77 14.82 18.68 94.09 79.90 -72.47 -19.64 72.52 0.89 26.59 7.60 9.58 54.19 2.58 25.04 0.00 0.50 0.51 93 K C T 143.20 2.26 14.99 17.65 98.77 51.94 -88.77 -3.09 70.71 1.16 28.13 8.33 12.96 49.07 2.66 25.71 0.01 0.66 0.61 94 F C C 60.94 15.06 9.20 23.68 116.58 87.61 -103.16 133.41 87.46 5.93 6.61 52.02 29.42 5.89 1.91 4.67 0.00 2.73 3.36 95 Q C C 134.14 2.51 19.02 21.77 103.79 -143.74 -87.10 53.59 89.36 7.93 2.71 69.29 12.23 7.39 0.84 2.05 0.00 4.82 3.38 96 L C C 47.85 17.12 12.03 28.42 117.27 140.76 -90.91 135.53 85.04 12.71 2.24 61.73 18.19 4.66 0.81 1.63 0.00 7.64 5.33 97 K C C 101.00 8.32 20.28 29.07 119.43 -142.85 -103.20 139.86 86.48 12.36 1.16 64.69 19.79 1.95 0.59 0.69 0.00 10.52 1.76 98 P C C 45.37 15.62 17.85 32.87 111.41 -104.49 -69.16 143.73 80.54 17.05 2.41 57.31 18.87 4.04 1.30 1.25 0.00 15.97 1.27 99 Y E E 69.77 15.12 19.57 34.12 123.20 -157.85 -111.85 141.26 31.31 65.77 2.92 23.99 6.73 2.20 1.92 1.28 0.00 61.73 2.14 100 V E E 28.58 17.95 18.09 35.87 123.22 -160.08 -117.05 134.99 16.02 81.85 2.12 13.50 2.07 0.69 1.59 0.68 0.00 80.84 0.64 101 E E E 69.89 12.41 21.20 33.62 123.62 -163.03 -114.57 137.42 10.94 87.12 1.94 9.53 1.09 0.46 1.56 0.52 0.00 86.35 0.50 102 V E E 33.55 16.59 17.19 33.87 123.75 -164.37 -118.08 134.71 14.17 83.88 1.94 12.39 1.37 0.57 1.63 0.56 0.00 82.62 0.86 103 E E E 84.93 11.08 18.30 29.77 124.70 -165.68 -116.93 138.15 29.68 67.84 2.47 23.78 5.07 1.48 1.78 0.92 0.00 65.49 1.48 104 K C C 89.09 10.56 15.95 27.20 126.35 -167.35 -120.64 146.57 59.54 37.09 3.37 46.97 10.03 1.85 2.19 1.29 0.00 36.00 1.66 105 K C C 123.44 6.04 16.14 23.44 113.31 -108.93 -74.88 138.65 70.71 23.66 5.63 61.23 6.02 2.35 3.62 1.97 0.00 22.98 1.82 106 V C C 66.38 11.34 9.81 21.65 115.94 -135.20 -91.82 141.57 70.88 13.45 15.67 58.35 6.71 5.17 10.74 5.25 0.01 10.98 2.80 107 E C C 132.70 3.11 13.41 17.62 112.28 -132.31 -86.65 131.53 66.67 10.42 22.91 46.85 11.49 8.25 14.73 8.51 0.03 7.57 2.56 108 A C C 68.14 5.79 9.73 17.04 112.74 -128.71 -86.87 133.01 61.84 9.46 28.70 39.21 12.64 10.84 15.41 12.89 0.04 6.84 2.12 109 A C C 71.52 5.13 8.44 15.22 110.45 -131.44 -85.68 132.44 66.05 8.96 24.99 42.72 10.81 13.22 12.46 12.05 0.03 6.50 2.21 110 K C C 153.45 2.14 8.99 12.79 110.64 -138.18 -88.42 123.50 81.05 4.85 14.10 68.91 2.29 11.11 7.63 4.94 0.00 3.57 1.54 111 Q C C 129.97 3.37 10.07 15.35 111.28 -136.49 -88.79 125.03 99.81 0.12 0.07 99.55 0.17 0.14 0.04 0.01 0.00 0.07 0.02