# 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 105.37 7.11 11.01 19.44 115.56 -159.49 -96.81 129.38 99.88 0.10 0.03 99.78 0.11 0.04 0.01 0.00 0.00 0.04 0.01 1 H C C 137.32 3.09 9.59 14.51 114.60 -151.52 -95.58 130.09 82.94 5.06 12.01 75.74 1.82 6.53 6.31 4.25 0.00 3.44 1.92 2 Q C C 126.19 3.36 8.25 13.60 114.36 -154.87 -94.95 131.80 78.10 4.95 16.95 50.03 15.43 12.80 8.37 8.47 0.01 3.20 1.69 3 Q C C 127.55 2.89 9.06 13.82 113.71 -153.70 -95.76 130.73 76.09 5.16 18.75 51.09 13.94 10.86 9.36 9.59 0.01 3.39 1.77 4 H C C 129.91 4.30 8.94 15.15 114.86 -145.45 -93.89 131.62 76.86 5.07 18.08 54.83 11.71 10.09 10.93 7.35 0.01 3.19 1.88 5 S C C 69.69 4.95 9.44 16.19 115.14 -156.15 -97.09 139.08 80.53 3.46 16.01 55.03 13.94 11.35 10.09 6.12 0.00 1.99 1.47 6 K C C 145.47 2.98 10.29 14.96 109.42 -142.10 -89.62 107.40 78.70 3.43 17.87 47.82 16.73 14.23 10.37 7.43 0.01 1.88 1.54 7 S C C 72.40 4.71 9.46 15.88 110.35 -144.06 -90.43 121.65 80.34 3.23 16.43 47.59 17.36 15.61 8.43 7.75 0.01 1.73 1.52 8 E C C 131.66 3.51 10.16 15.27 107.63 -140.17 -88.30 82.43 84.06 2.65 13.29 46.70 21.28 16.55 6.45 6.36 0.01 1.34 1.32 9 N C C 102.48 4.27 10.32 16.33 111.77 150.93 -91.06 120.61 88.14 2.05 9.81 50.64 25.05 12.67 4.91 4.59 0.00 0.89 1.25 10 K C C 109.12 5.66 9.81 17.21 115.57 -155.69 -93.14 134.94 91.13 1.21 7.66 61.75 25.00 4.32 5.40 2.26 0.00 0.44 0.82 11 P C C 80.73 4.73 10.73 17.17 105.28 -117.15 -66.75 140.11 70.68 1.04 28.28 43.93 8.71 17.92 16.09 12.21 0.00 0.53 0.59 12 Q C C 116.87 3.61 11.23 16.23 99.19 -34.26 -74.30 -18.38 60.97 1.79 37.24 31.50 11.50 18.38 20.82 15.94 0.02 0.86 0.97 13 Q C C 104.91 4.54 10.69 16.75 102.12 63.56 -79.33 -2.32 56.50 1.97 41.53 30.25 12.78 13.65 25.16 16.21 0.03 0.94 0.98 14 Q C C 107.26 4.86 10.83 17.26 101.37 72.59 -79.33 -12.54 58.01 1.59 40.40 33.14 11.91 13.29 27.44 12.64 0.02 0.76 0.80 15 R C C 146.19 3.96 11.28 16.69 100.75 66.23 -81.07 -5.54 61.26 1.89 36.85 36.18 12.72 12.75 25.17 11.31 0.02 0.92 0.94 16 K C C 124.50 4.58 11.41 17.56 106.31 85.44 -83.18 71.19 66.08 2.54 31.38 42.59 12.27 11.20 21.63 9.79 0.01 1.31 1.19 17 K C C 128.94 4.45 11.81 17.83 108.11 78.24 -86.96 107.10 71.97 3.69 24.34 49.30 11.16 11.10 16.52 8.19 0.01 2.07 1.63 18 F C C 115.87 7.25 10.11 18.68 110.16 71.56 -90.74 110.66 79.74 3.83 16.43 56.04 12.78 10.43 12.25 4.62 0.00 2.05 1.82 19 E C C 124.19 4.10 11.48 17.26 110.36 85.60 -94.08 118.14 84.86 2.61 12.53 57.16 17.74 9.49 9.98 3.00 0.00 1.19 1.43 20 G C C 34.30 5.20 12.50 19.04 125.48 67.30 -107.17 176.13 84.60 0.87 14.54 49.70 28.54 5.51 13.54 1.93 0.00 0.33 0.45 21 P C H 89.04 3.92 13.79 18.72 101.22 -43.20 -67.25 -24.63 53.61 0.82 45.57 28.43 8.12 17.07 39.92 5.69 0.01 0.41 0.35 22 K H H 103.42 8.63 12.83 22.15 98.93 53.22 -72.02 -28.20 43.72 1.22 55.06 27.39 5.44 11.87 48.35 5.79 0.01 0.64 0.50 23 R H H 124.70 6.48 14.67 22.28 95.64 66.13 -67.56 -35.71 20.47 0.84 78.69 14.54 3.25 4.32 71.26 5.91 0.01 0.49 0.23 24 E H H 104.76 4.40 17.05 22.13 95.06 56.05 -67.81 -37.79 11.78 0.68 87.54 7.38 1.83 3.48 80.82 5.85 0.01 0.49 0.14 25 A H H 34.71 11.61 15.73 28.06 94.80 53.45 -68.11 -37.56 10.31 0.72 88.97 5.79 1.51 3.63 81.51 6.89 0.01 0.55 0.12 26 I H H 57.07 13.07 16.41 29.52 94.70 52.74 -67.78 -36.72 9.17 0.64 90.19 4.70 1.33 3.57 82.53 7.27 0.01 0.48 0.10 27 L H H 80.81 6.10 18.88 25.48 94.77 53.58 -68.68 -35.04 11.86 1.04 87.11 5.39 1.68 4.95 78.48 8.49 0.03 0.79 0.19 28 D H H 60.77 7.87 19.88 28.31 96.91 52.43 -74.29 -26.96 18.63 0.79 80.58 7.37 2.19 8.86 70.99 9.80 0.05 0.52 0.22 29 L H H 18.10 22.11 13.94 35.24 92.38 64.97 -65.17 -35.08 12.52 0.43 87.05 3.85 1.60 6.39 71.06 16.66 0.04 0.26 0.14 30 A H H 54.95 8.94 18.09 27.82 91.07 61.05 -63.39 -32.19 11.80 0.33 87.87 1.87 1.05 7.63 62.43 26.69 0.03 0.22 0.09 31 K H H 133.92 2.82 21.14 24.00 91.30 58.68 -71.13 -20.84 26.29 0.18 73.53 1.65 1.57 21.26 48.02 27.28 0.04 0.10 0.09 32 Y H T 38.47 17.90 14.28 32.26 97.86 46.32 -101.41 -1.50 49.04 0.98 49.98 5.76 3.85 37.97 28.67 22.57 0.10 0.45 0.63 33 K C T 75.39 14.84 14.41 29.18 111.03 118.80 -65.67 133.76 94.29 2.32 3.39 2.14 2.69 90.54 1.29 1.09 0.00 1.02 1.23 34 D C T 110.51 3.04 20.60 23.96 93.97 13.34 68.57 15.32 98.17 0.81 1.02 0.93 4.29 93.41 0.13 0.54 0.00 0.61 0.09 35 S C S 40.19 10.74 16.41 28.18 124.26 115.90 -93.11 154.64 95.20 4.62 0.17 46.04 48.51 0.77 0.03 0.11 0.00 4.28 0.25 36 K E E 111.68 7.00 21.85 29.61 114.35 -115.56 -80.61 133.65 14.61 85.34 0.05 14.49 0.38 0.04 0.02 0.02 0.00 83.60 1.44 37 I E E 7.02 24.04 14.61 39.03 131.12 -172.60 -129.31 150.23 2.92 97.08 0.01 2.90 0.06 0.00 0.00 0.00 0.00 96.99 0.04 38 R E E 83.21 9.10 25.72 35.44 116.56 -138.17 -103.25 126.88 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.01 39 V E E 4.10 25.20 17.11 43.05 121.70 -168.43 -114.96 132.73 0.19 99.81 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.82 0.00 40 K E E 83.00 8.29 24.57 33.35 114.79 -150.20 -100.37 123.68 0.85 99.14 0.01 0.80 0.02 0.00 0.00 0.00 0.00 99.14 0.03 41 L E E 16.47 20.43 13.16 33.34 125.11 -159.37 -98.09 161.40 29.19 70.64 0.17 28.17 0.92 0.14 0.04 0.09 0.00 69.71 0.93 42 M C T 100.09 8.99 16.16 25.75 105.68 -92.67 -63.75 133.24 90.30 3.91 5.79 1.07 3.83 86.52 0.20 5.22 0.00 2.82 0.34 43 G C T 53.75 3.18 16.82 20.66 95.01 24.80 72.89 -0.26 93.42 0.36 6.22 0.46 2.89 89.78 0.13 6.42 0.00 0.22 0.09 44 G C S 42.51 5.68 16.22 22.91 98.98 -91.95 90.32 2.31 92.91 1.21 5.88 10.55 66.52 15.57 0.26 6.00 0.00 0.74 0.35 45 K C C 65.76 11.63 15.47 28.25 118.06 135.29 -78.06 144.32 80.48 19.47 0.05 79.00 1.05 0.14 0.01 0.03 0.00 19.28 0.49 46 L E E 57.04 12.27 21.33 33.99 121.62 -146.49 -112.34 134.20 1.02 98.98 0.00 0.94 0.03 0.00 0.00 0.00 0.00 99.00 0.03 47 V E E 5.73 23.62 18.98 42.93 124.60 -167.92 -119.36 136.14 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.93 0.00 48 I E E 43.33 12.38 26.69 39.49 122.55 -160.34 -115.44 133.42 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 49 G E E 3.57 19.49 22.97 42.53 144.60 122.04 -170.55 -177.04 0.30 99.70 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 50 V E E 36.87 11.56 26.90 39.78 123.04 -80.23 -116.03 136.57 0.43 99.57 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.62 0.00 51 L E E 5.49 25.23 16.53 43.02 110.35 -116.41 -73.16 128.15 1.15 98.84 0.00 1.05 0.04 0.00 0.00 0.00 0.00 98.89 0.01 52 K E E 85.46 8.44 24.73 33.90 100.31 175.96 -100.34 -21.07 3.50 96.49 0.01 2.47 0.61 0.08 0.00 0.01 0.00 96.83 0.02 53 G E E 13.08 9.69 24.94 36.12 146.20 -38.78 165.12 174.22 2.17 97.82 0.01 1.44 0.44 0.08 0.00 0.01 0.00 98.02 0.02 54 Y E E 56.06 20.52 15.04 34.70 136.82 -129.57 -145.34 153.89 1.08 98.91 0.00 1.07 0.06 0.00 0.00 0.00 0.00 97.06 1.81 55 D C C 45.74 9.43 17.79 28.19 128.48 -137.97 -101.11 171.85 93.12 6.84 0.04 93.37 0.31 0.11 0.01 0.02 0.00 5.79 0.39 56 Q C T 140.34 2.91 16.97 21.07 90.94 -89.63 -63.79 -21.72 99.70 0.03 0.26 0.09 2.23 97.41 0.00 0.25 0.00 0.01 0.01 57 L C T 86.13 6.77 17.24 25.15 92.81 54.77 -88.53 1.64 99.71 0.02 0.27 0.13 2.59 97.00 0.00 0.26 0.00 0.01 0.00 58 M C S 40.50 16.25 16.79 33.23 93.43 -111.97 69.20 25.69 99.04 0.51 0.46 41.54 47.90 9.47 0.04 0.53 0.00 0.24 0.28 59 N C C 28.02 13.57 22.54 36.94 117.40 150.10 -81.89 142.93 96.04 3.94 0.02 92.23 3.27 0.64 0.00 0.02 0.00 3.36 0.47 60 L E E 5.29 24.70 20.12 45.35 115.86 -135.18 -95.86 129.60 0.95 99.05 0.00 1.02 0.02 0.00 0.00 0.00 0.00 98.71 0.25 61 V E E 22.26 14.02 27.06 41.68 119.42 -165.35 -114.77 129.71 0.10 99.90 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.89 0.01 62 L E E 5.38 24.99 18.54 44.06 117.66 -161.35 -107.05 126.29 0.52 99.48 0.00 0.55 0.01 0.00 0.00 0.00 0.00 99.39 0.04 63 D E E 49.06 9.28 23.68 33.20 129.09 -168.70 -114.21 158.97 11.92 88.00 0.08 5.89 3.31 1.95 0.00 0.12 0.00 88.65 0.07 64 D E E 91.26 4.16 24.07 28.78 94.29 9.34 59.39 44.75 22.31 77.64 0.04 9.67 8.24 1.96 0.00 0.08 0.00 80.01 0.05 65 T E E 11.90 23.63 12.35 35.77 117.47 -173.27 -80.01 138.44 14.14 85.86 0.01 13.71 0.23 0.01 0.00 0.00 0.00 85.98 0.06 66 V E E 50.23 8.84 25.27 34.72 123.28 -165.59 -121.20 134.78 0.62 99.38 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.29 0.09 67 E E E 41.93 19.07 17.86 36.23 120.68 -157.02 -109.29 131.05 0.88 99.12 0.00 0.78 0.05 0.01 0.00 0.00 0.00 99.14 0.02 68 Y E E 68.90 11.28 21.48 33.39 124.71 -172.55 -122.11 137.82 5.47 94.49 0.04 4.72 0.39 0.06 0.01 0.02 0.00 94.57 0.23 69 M E E 50.46 14.95 17.35 32.61 121.70 -161.88 -111.62 134.93 22.28 77.52 0.20 18.24 3.80 0.62 0.05 0.15 0.00 76.13 1.00 70 S C E 33.89 11.85 15.87 28.66 122.40 -144.68 -104.60 147.75 53.07 46.65 0.28 40.64 11.47 1.04 0.08 0.26 0.00 43.23 3.28 71 N C C 58.33 8.15 14.81 24.59 114.52 -124.26 -95.46 124.56 93.06 6.75 0.19 85.35 7.12 0.66 0.05 0.14 0.00 5.58 1.10 72 P C T 83.12 6.62 12.25 20.53 95.01 -135.84 -64.76 -21.86 90.73 1.54 7.73 15.68 13.44 60.79 0.77 7.79 0.00 1.08 0.44 73 D C T 116.76 1.50 13.46 14.91 98.26 56.05 -85.43 -6.02 90.65 1.55 7.80 12.10 15.93 61.75 0.87 7.77 0.00 1.00 0.58 74 D C C 60.85 7.89 8.40 17.84 109.77 91.90 -93.18 106.91 88.90 4.29 6.81 51.69 27.96 8.67 1.42 5.74 0.00 2.07 2.45 75 E C T 145.58 2.25 11.15 15.00 94.81 -160.29 -68.67 -20.71 88.84 0.77 10.39 15.66 15.75 57.16 2.58 7.99 0.00 0.42 0.43 76 N C T 119.47 1.61 12.17 14.19 97.24 54.63 -86.97 -0.37 88.44 1.01 10.55 12.15 17.79 58.20 2.45 8.27 0.00 0.57 0.56 77 N C C 75.43 9.11 9.26 19.36 101.93 78.35 -75.24 58.19 82.29 5.58 12.13 47.44 21.98 12.76 3.52 8.85 0.00 3.20 2.25 78 T C C 88.78 4.45 13.28 19.23 99.79 155.37 -83.10 -14.27 75.66 8.86 15.48 47.06 14.71 14.00 6.62 9.00 0.01 6.40 2.19 79 E C C 114.52 4.81 15.04 21.09 106.68 70.58 -88.27 85.50 61.85 20.76 17.39 35.61 13.86 13.58 7.44 9.59 0.10 16.93 2.90 80 L C C 68.72 11.12 14.17 26.00 111.39 -122.28 -85.80 128.01 50.00 34.27 15.74 35.25 8.55 6.26 9.05 7.25 0.10 28.12 5.41 81 I C C 51.21 14.67 12.81 27.49 111.10 -136.97 -91.36 121.32 51.45 37.06 11.49 38.68 7.73 3.96 8.08 4.30 0.07 29.99 7.19 82 S C C 56.09 8.28 14.59 23.80 113.16 -154.86 -97.05 145.05 63.61 20.69 15.70 47.06 9.80 7.14 5.47 9.59 0.02 18.94 1.97 83 K C T 152.73 2.86 15.50 19.17 98.11 -105.53 -79.63 -16.03 63.29 20.18 16.53 20.22 22.36 23.75 3.32 11.45 0.12 17.07 1.71 84 N C C 98.28 4.63 16.44 22.04 106.74 51.15 -95.38 71.54 57.28 29.24 13.48 27.85 12.44 19.26 2.18 10.11 0.03 27.01 1.13 85 A C C 36.90 17.84 10.10 26.59 121.72 152.08 -92.62 142.64 53.88 45.16 0.96 45.97 5.92 0.98 0.27 0.62 0.00 45.24 1.01 86 R E E 109.29 7.63 18.80 27.46 123.24 -158.18 -119.77 138.53 11.28 88.43 0.29 9.95 1.15 0.26 0.16 0.15 0.00 86.30 2.04 87 K E E 124.92 7.01 18.46 26.94 111.01 -118.58 -76.67 126.36 9.75 90.07 0.18 8.76 0.75 0.17 0.10 0.10 0.00 88.21 1.90 88 L E E 37.49 17.01 15.16 32.26 99.64 -176.20 -98.20 -9.22 37.68 61.88 0.44 35.13 1.75 0.39 0.09 0.30 0.00 61.63 0.72 89 G E E 24.40 6.75 21.20 29.04 119.76 -126.04 81.37 -158.98 41.01 58.76 0.22 17.38 22.36 1.75 0.02 0.20 0.00 58.01 0.29 90 L E E 65.84 11.87 20.20 32.21 117.84 -13.68 -95.05 134.22 9.75 90.03 0.21 6.98 2.07 0.46 0.03 0.15 0.00 90.18 0.13 91 T E E 14.17 21.03 18.99 39.78 125.71 -169.36 -122.26 137.34 1.37 98.61 0.02 1.22 0.13 0.02 0.00 0.01 0.00 98.58 0.04 92 V E E 41.70 13.94 25.17 39.00 117.99 -155.98 -109.55 125.61 0.33 99.67 0.00 0.31 0.02 0.00 0.00 0.00 0.00 99.64 0.03 93 I E E 13.09 22.22 19.50 41.54 121.77 -170.51 -117.53 130.49 3.26 96.74 0.00 3.11 0.08 0.00 0.00 0.00 0.00 96.71 0.08 94 R C C 95.73 9.89 24.18 34.02 115.19 -134.03 -86.24 131.30 60.13 39.66 0.21 45.54 11.69 0.70 0.05 0.15 0.00 41.53 0.35 95 G C S 17.88 16.54 19.06 34.51 125.31 37.94 106.13 -167.87 67.20 8.86 23.94 17.97 36.18 14.41 3.59 19.06 0.04 7.81 0.95 96 T C S 77.43 8.19 23.10 30.98 97.92 -52.92 -80.90 -15.90 59.84 10.42 29.73 14.08 31.75 15.09 5.05 23.71 0.08 9.32 0.92 97 I E E 56.98 12.76 21.06 33.63 98.85 52.43 -95.52 3.33 30.62 36.07 33.31 18.29 6.06 7.65 5.46 25.82 0.02 36.00 0.71 98 L E E 17.14 23.27 15.18 38.00 110.97 119.49 -85.33 119.50 9.80 83.29 6.91 8.42 0.90 0.59 5.08 1.57 0.00 82.62 0.82 99 V E E 61.74 9.24 22.90 32.60 101.32 174.51 -98.78 -30.81 8.11 85.10 6.79 5.66 1.42 0.92 5.46 1.11 0.01 85.12 0.30 100 S E E 37.89 9.37 25.01 35.01 140.02 0.72 -154.95 149.86 3.48 91.08 5.44 2.50 0.43 0.38 4.36 0.64 0.00 91.55 0.13 101 L E E 27.79 23.08 16.07 38.28 126.22 -165.57 -130.35 132.13 4.88 89.10 6.02 3.74 0.56 0.45 5.56 0.74 0.00 88.75 0.21 102 S E E 36.12 9.25 22.99 32.89 135.88 170.56 -144.20 156.31 13.34 81.95 4.71 10.28 2.01 0.94 4.21 0.90 0.00 81.20 0.46 103 S E E 42.38 12.17 17.11 29.48 114.73 -104.95 -73.29 148.51 34.01 61.35 4.64 25.03 6.50 2.97 3.11 1.67 0.01 59.87 0.84 104 A C T 53.39 11.46 13.45 25.30 102.42 -115.09 -72.37 -9.31 75.56 12.24 12.20 27.46 19.97 29.28 5.11 6.48 0.05 10.06 1.59 105 E C T 135.40 3.00 15.13 19.02 105.68 48.46 -89.20 58.60 81.21 6.06 12.73 22.35 21.05 38.62 5.08 7.10 0.04 4.21 1.55 106 G C C 45.41 5.57 13.39 20.16 109.69 -37.74 86.78 -8.37 79.49 5.82 14.69 29.41 27.17 24.13 6.20 7.62 0.04 3.95 1.48 107 S C C 62.83 7.84 12.13 21.02 106.87 101.55 -86.64 50.72 69.86 10.24 19.90 43.96 15.45 10.67 11.99 7.95 0.04 8.18 1.77 108 D C C 90.19 5.89 13.47 20.71 105.77 127.05 -87.04 51.83 53.06 20.36 26.58 33.90 11.41 7.94 17.80 8.77 0.13 18.03 2.03 109 V C E 83.54 6.95 13.87 22.01 111.32 62.51 -92.21 117.57 37.74 31.77 30.49 26.82 5.89 5.19 21.46 8.55 0.08 30.11 1.90 110 L C E 78.53 9.84 12.32 22.97 109.94 -161.17 -94.83 107.23 35.21 35.19 29.60 26.25 4.63 4.09 21.70 7.25 0.04 34.33 1.70 111 Y C E 123.20 7.62 12.26 21.05 113.51 65.19 -98.52 120.99 38.18 36.72 25.10 27.94 5.44 4.73 18.72 6.18 0.06 34.96 1.97 112 M C C 110.54 5.77 10.25 17.64 113.21 -160.64 -96.57 122.61 47.42 31.82 20.76 34.18 6.81 5.88 15.48 5.33 0.05 30.34 1.93 113 Q C C 122.76 3.78 9.36 15.11 112.17 -153.09 -92.12 122.67 65.25 22.56 12.18 56.97 1.90 5.39 9.71 2.55 0.00 20.83 2.63 114 K C C 144.19 3.57 11.36 16.74 109.53 -134.63 -86.08 116.66 99.53 0.37 0.10 99.43 0.11 0.10 0.06 0.01 0.00 0.28 0.02