# 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 S C C 74.67 4.78 15.82 21.79 115.43 -153.95 -97.47 129.35 99.84 0.15 0.01 99.83 0.05 0.02 0.00 0.00 0.00 0.09 0.01 1 T C C 68.62 10.79 12.14 23.42 119.10 -155.26 -100.50 137.30 84.02 15.01 0.97 81.41 0.79 1.57 0.23 0.42 0.00 14.43 1.15 2 S C E 54.61 9.24 16.18 26.27 120.28 -163.92 -108.02 139.90 52.34 46.23 1.43 42.42 6.70 2.23 0.41 1.07 0.00 44.06 3.11 3 T E E 44.70 13.76 17.48 31.45 126.55 -162.28 -118.92 143.53 36.73 62.39 0.88 30.58 5.08 0.87 0.29 0.61 0.00 60.65 1.91 4 I E E 33.14 18.13 17.30 35.27 121.56 -154.92 -111.08 133.74 23.48 76.06 0.47 21.06 1.98 0.36 0.21 0.27 0.00 73.67 2.44 5 R E E 103.92 9.55 22.41 32.19 122.10 -157.54 -108.03 136.98 21.41 78.33 0.26 18.72 1.97 0.31 0.09 0.16 0.00 76.41 2.33 6 T E E 36.99 17.16 13.42 30.23 122.88 -156.22 -111.71 138.17 17.42 82.35 0.23 14.10 1.44 0.14 0.19 0.09 0.00 61.43 22.60 7 G C C 25.22 7.30 14.59 23.49 126.43 -136.83 -88.47 -176.37 93.27 6.59 0.15 89.22 3.37 0.70 0.03 0.11 0.00 5.57 1.01 8 T C T 122.11 1.06 13.89 15.03 91.74 -78.42 -67.00 -19.02 98.63 0.60 0.78 2.13 14.01 82.44 0.04 0.81 0.00 0.44 0.13 9 N C T 110.51 2.24 15.95 18.39 94.47 51.66 -91.79 5.95 98.85 0.19 0.96 1.42 13.81 83.53 0.04 1.03 0.00 0.11 0.06 10 N C S 49.00 14.67 14.01 28.89 94.44 -109.89 72.53 21.67 97.88 1.14 0.98 18.90 75.29 3.80 0.10 0.82 0.00 0.56 0.53 11 D C C 40.15 10.45 21.05 32.55 120.25 142.00 -85.69 147.93 92.78 7.03 0.19 77.68 14.37 0.88 0.06 0.14 0.00 4.91 1.96 12 I E E 9.23 23.87 16.42 40.88 113.63 -114.23 -82.93 132.04 9.85 90.06 0.09 8.46 0.61 0.06 0.07 0.03 0.00 55.68 35.09 13 L E E 42.61 10.99 23.15 34.88 126.63 -165.90 -116.86 145.99 31.32 68.65 0.03 27.38 2.85 0.10 0.01 0.02 0.00 68.86 0.78 14 L E E 43.33 16.09 13.70 30.09 120.84 -141.33 -105.00 134.68 6.49 93.47 0.03 5.53 0.44 0.02 0.04 0.01 0.00 52.17 41.80 15 D C C 53.29 6.47 13.48 21.82 124.48 -131.41 -82.04 175.01 97.51 2.46 0.04 97.79 0.32 0.06 0.01 0.01 0.00 1.40 0.41 16 D C T 134.72 0.82 11.49 12.57 90.15 -88.92 -63.74 -20.81 99.38 0.20 0.43 0.39 3.60 95.45 0.02 0.39 0.00 0.12 0.04 17 N C T 127.00 0.84 13.03 12.96 92.48 56.07 -87.83 0.95 99.48 0.06 0.46 0.18 3.46 95.90 0.01 0.40 0.00 0.03 0.01 18 G C S 35.31 8.38 11.56 21.34 96.43 -104.71 86.19 7.39 99.47 0.24 0.29 11.47 87.20 0.94 0.03 0.15 0.00 0.09 0.11 19 N C C 74.10 4.90 17.23 23.40 119.35 136.11 -81.83 146.17 96.44 3.50 0.07 89.43 7.06 0.19 0.03 0.03 0.00 1.71 1.55 20 M E E 52.43 17.60 13.72 31.01 114.80 -115.90 -82.03 133.70 2.98 96.99 0.02 2.91 0.13 0.01 0.04 0.00 0.00 77.58 19.33 21 V E E 40.16 12.38 19.77 33.00 123.29 -161.16 -112.60 139.84 18.60 81.38 0.02 18.55 0.34 0.02 0.01 0.01 0.00 80.83 0.25 22 I E E 69.79 12.92 20.44 33.25 116.68 -141.45 -99.37 128.81 12.12 87.83 0.05 11.59 0.67 0.05 0.03 0.02 0.00 85.49 2.15 23 L E E 21.03 18.53 14.11 33.03 123.11 -166.73 -112.97 139.00 22.49 77.40 0.10 22.07 0.62 0.05 0.09 0.04 0.00 69.02 8.11 24 R C C 147.52 4.54 19.92 25.81 115.76 -169.32 -114.26 128.06 79.52 20.27 0.21 68.76 10.33 0.36 0.11 0.10 0.00 19.17 1.17 25 D H H 73.19 5.11 23.18 28.10 126.53 21.46 95.89 166.20 43.02 0.57 56.40 13.79 24.51 3.98 56.56 0.74 0.01 0.17 0.24 26 V H H 52.43 17.64 15.60 32.19 92.58 -82.63 -61.97 -36.72 3.39 0.02 96.59 0.59 0.51 2.19 95.92 0.76 0.01 0.01 0.01 27 E H H 114.53 4.36 22.85 27.85 91.49 55.05 -63.90 -39.36 1.58 0.01 98.41 0.39 0.17 0.95 97.73 0.75 0.00 0.01 0.00 28 A H H 20.52 10.98 21.26 33.46 91.68 51.57 -64.14 -41.47 0.53 0.00 99.46 0.20 0.05 0.24 99.18 0.32 0.00 0.00 0.00 29 C H H 4.39 23.99 20.37 44.00 91.86 50.15 -63.80 -43.25 0.19 0.00 99.80 0.04 0.01 0.10 99.79 0.05 0.00 0.00 0.00 30 A H H 18.36 17.34 23.58 40.33 91.20 50.97 -62.41 -42.87 0.11 0.00 99.89 0.02 0.01 0.06 99.89 0.02 0.00 0.00 0.00 31 Q H H 78.85 5.84 28.25 34.85 91.57 50.21 -64.03 -41.77 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 32 D H H 22.77 18.25 25.05 42.43 91.80 49.41 -64.75 -42.23 0.09 0.00 99.91 0.01 0.00 0.05 99.93 0.01 0.00 0.00 0.00 33 V H H 0.99 27.90 22.49 50.75 91.16 49.91 -63.48 -43.50 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 34 R H H 91.26 13.17 27.24 39.90 91.26 51.01 -62.04 -42.97 0.05 0.00 99.95 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 35 A H H 31.91 9.78 27.55 38.36 91.62 49.94 -64.41 -41.91 0.13 0.00 99.87 0.00 0.00 0.10 99.84 0.05 0.00 0.00 0.00 36 A H H 3.08 24.80 22.52 46.91 91.52 50.76 -64.43 -41.20 0.58 0.00 99.42 0.02 0.02 0.53 99.20 0.24 0.00 0.00 0.00 37 M H H 11.40 24.20 22.36 46.06 91.15 53.27 -67.60 -29.01 8.89 0.00 91.11 0.08 0.16 9.65 89.53 0.56 0.01 0.00 0.00 38 L H H 82.80 8.49 25.84 35.57 93.92 53.06 -89.14 -6.17 35.65 0.02 64.33 0.32 0.78 34.77 63.34 0.75 0.01 0.01 0.02 39 M C C 20.67 21.46 15.96 37.50 118.68 110.40 -73.89 146.15 95.16 1.34 3.49 68.61 23.33 2.38 3.39 0.50 0.00 0.31 1.48 40 R C C 109.77 8.09 24.26 32.58 119.80 -119.30 -82.61 150.51 78.15 20.26 1.59 66.42 5.81 1.18 1.14 0.37 0.00 3.83 21.25 41 T C T 57.87 14.14 18.21 32.29 110.44 -83.89 -60.31 135.23 95.07 3.14 1.79 1.95 6.32 87.16 0.40 1.03 0.00 1.44 1.69 42 G C T 22.82 11.94 20.66 33.27 95.73 23.61 87.01 -6.09 98.62 0.65 0.73 2.44 6.50 89.77 0.06 0.62 0.00 0.33 0.28 43 E C C 59.93 12.20 20.62 33.25 96.39 113.47 -75.07 -28.34 94.30 5.16 0.54 55.83 35.42 2.15 0.12 0.41 0.00 1.48 4.59 44 N C C 26.50 17.54 17.34 34.67 116.65 53.17 -115.74 118.21 75.53 24.00 0.47 45.33 24.36 1.71 0.21 0.26 0.00 4.97 23.17 45 I C T 62.62 14.22 18.41 32.91 93.14 -140.17 -66.30 -27.79 98.45 0.77 0.77 1.15 20.25 77.05 0.03 0.78 0.00 0.40 0.33 46 F C T 96.44 11.20 18.18 29.18 96.23 46.70 -87.86 -15.16 98.51 0.81 0.68 1.31 20.00 77.21 0.03 0.72 0.00 0.46 0.27 47 D C C 51.01 10.22 15.85 27.24 110.38 45.91 -124.25 90.42 78.67 20.79 0.54 63.36 13.98 1.34 0.16 0.44 0.00 8.23 12.48 48 V C T 68.92 13.76 13.70 27.81 93.96 -176.13 -72.74 -16.78 83.59 9.21 7.19 6.63 13.59 63.04 0.47 7.62 0.01 5.75 2.89 49 N C T 114.15 2.84 20.96 23.97 94.03 62.77 -82.57 -12.80 86.92 7.07 6.01 3.43 15.84 67.41 0.28 6.61 0.01 5.15 1.27 50 S C T 38.34 11.42 19.50 31.27 114.54 57.15 -110.41 115.51 70.01 22.59 7.40 20.81 23.17 27.26 0.64 7.16 0.03 14.52 6.40 51 G C C 8.23 19.64 18.76 37.48 135.62 127.66 136.25 -168.50 64.85 34.47 0.68 36.21 27.15 2.16 0.37 0.35 0.00 12.24 21.51 52 V C C 13.19 21.56 20.23 41.52 114.83 -77.61 -97.90 131.79 68.07 31.00 0.93 56.67 9.34 1.02 0.72 0.33 0.00 11.29 20.62 53 G C C 22.77 9.99 24.67 35.31 98.98 -125.21 -58.08 38.65 82.16 11.91 5.93 65.58 10.30 5.10 5.50 1.20 0.01 7.39 4.93 54 Y H H 20.14 21.55 17.78 38.89 94.73 123.45 -72.96 -27.82 36.73 1.43 61.84 22.69 6.79 10.21 54.51 4.18 0.09 0.56 0.98 55 F H H 57.21 17.71 17.48 34.19 92.39 66.72 -63.09 -38.93 10.16 0.19 89.65 2.07 1.65 6.79 80.32 8.84 0.12 0.11 0.08 56 E H H 122.23 3.41 21.40 25.12 93.01 49.15 -70.09 -34.51 6.93 0.10 92.96 0.87 0.83 5.27 84.01 8.85 0.07 0.06 0.04 57 Y H H 88.76 10.13 18.66 29.26 100.51 37.34 -89.88 -36.03 9.81 0.14 90.05 0.81 1.11 8.12 82.36 7.28 0.17 0.07 0.07 58 I H H 13.16 21.76 15.19 36.61 100.42 35.39 -89.90 -36.56 28.58 0.69 70.73 2.34 4.38 23.04 65.07 3.71 0.72 0.28 0.46 59 F C T 72.31 13.25 16.49 29.85 100.74 37.26 -100.66 -7.85 66.67 1.71 31.62 11.01 17.01 38.65 28.24 3.16 0.17 0.62 1.15 60 S C S 41.21 7.48 13.70 23.00 121.31 95.22 -93.06 152.74 95.48 2.33 2.19 25.57 62.45 7.49 1.00 0.97 0.00 0.88 1.65 61 P C S 110.27 2.97 13.48 17.99 93.76 -113.90 -67.71 -20.27 97.79 0.59 1.62 8.33 52.16 37.52 0.20 1.22 0.00 0.31 0.26 62 Q C T 143.23 1.40 15.78 16.72 98.76 54.06 -91.84 8.41 97.16 1.45 1.39 33.09 30.60 33.52 0.21 1.26 0.00 0.76 0.56 63 K C C 51.53 17.54 8.61 24.90 116.18 126.40 -78.69 139.72 97.38 1.95 0.67 82.85 13.38 0.96 0.31 0.31 0.00 0.73 1.45 64 S C C 61.85 3.43 21.12 23.98 112.08 -127.80 -85.19 128.16 98.39 0.86 0.75 96.85 1.36 0.33 0.52 0.10 0.00 0.22 0.62 65 Y H H 80.37 17.12 12.66 29.02 93.54 -143.75 -62.59 -36.68 3.68 0.01 96.31 0.93 0.60 1.87 96.12 0.48 0.00 0.00 0.00 66 D H H 100.57 2.03 20.72 22.16 91.64 55.38 -63.58 -40.33 1.77 0.00 98.22 0.32 0.15 1.10 97.94 0.48 0.00 0.00 0.00 67 D H H 62.32 5.39 20.21 26.30 91.93 49.38 -65.49 -40.29 0.58 0.00 99.41 0.14 0.04 0.31 99.10 0.41 0.00 0.00 0.00 68 A H H 3.32 23.76 14.54 38.62 91.47 50.69 -63.53 -43.24 0.22 0.00 99.78 0.05 0.01 0.10 99.74 0.10 0.00 0.00 0.00 69 R H H 83.11 15.39 20.71 34.97 91.32 51.52 -61.89 -42.24 0.16 0.00 99.84 0.02 0.01 0.09 99.85 0.03 0.00 0.00 0.00 70 K H H 119.86 2.45 25.69 27.23 91.74 50.36 -64.35 -41.25 0.14 0.00 99.86 0.02 0.00 0.08 99.87 0.02 0.00 0.00 0.00 71 S H H 27.59 10.81 22.95 34.42 91.77 49.41 -64.61 -42.09 0.10 0.00 99.90 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 72 I H H 1.72 27.00 19.01 46.51 91.23 48.95 -64.28 -43.60 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 73 A H H 27.14 16.12 22.50 37.83 91.19 50.85 -61.89 -43.12 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 74 D H H 86.40 2.44 27.14 28.52 91.53 49.78 -64.10 -41.41 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 75 A H H 17.12 13.81 21.70 36.11 91.75 49.98 -64.50 -42.43 0.35 0.00 99.65 0.01 0.01 0.26 99.61 0.11 0.00 0.00 0.00 76 I H H 1.84 27.42 15.74 43.94 91.41 49.68 -65.07 -39.85 1.58 0.00 98.41 0.07 0.06 1.39 97.89 0.60 0.00 0.00 0.00 77 L H H 78.61 11.71 19.60 31.27 90.94 56.36 -67.59 -24.24 27.00 0.02 72.98 0.63 0.54 25.99 71.84 0.97 0.01 0.01 0.02 78 S C T 84.34 1.95 21.77 23.20 92.60 59.78 -82.74 -7.98 78.63 0.05 21.32 1.96 2.30 73.09 21.42 1.17 0.00 0.02 0.04 79 S C S 12.72 21.47 8.99 29.69 114.97 102.29 -78.24 132.77 99.67 0.25 0.08 22.42 77.06 0.22 0.05 0.01 0.00 0.06 0.18 80 P C T 107.72 1.81 21.97 23.10 98.36 -121.54 -65.35 -14.09 99.78 0.05 0.17 0.41 3.18 96.25 0.01 0.12 0.00 0.03 0.01 81 D C T 51.43 14.20 17.62 31.54 94.28 41.19 -78.36 0.63 99.84 0.08 0.08 0.54 2.60 96.72 0.00 0.07 0.00 0.06 0.00 82 V E E 6.69 25.61 10.98 36.68 111.67 106.52 -85.60 118.95 10.43 89.54 0.03 9.67 0.61 0.04 0.01 0.01 0.00 88.48 1.18 83 T E E 75.12 5.22 23.95 29.75 101.07 176.11 -99.81 -22.87 11.48 88.50 0.01 9.53 1.08 0.07 0.00 0.01 0.00 89.22 0.09 84 G E E 21.00 7.37 25.21 33.67 146.16 -25.70 172.35 170.55 5.93 94.05 0.02 4.28 1.06 0.13 0.00 0.01 0.00 94.48 0.04 85 I E E 24.20 23.46 13.18 36.20 115.52 -108.53 -106.84 124.12 1.15 98.85 0.00 1.10 0.03 0.00 0.00 0.00 0.00 98.85 0.01 86 E E E 102.74 5.10 21.94 27.69 100.70 176.69 -92.67 -35.64 1.77 98.23 0.01 1.26 0.27 0.01 0.00 0.00 0.00 98.45 0.01 87 Q E E 86.30 4.92 24.06 29.73 138.22 0.97 -155.90 149.49 0.73 99.27 0.00 0.57 0.06 0.00 0.00 0.00 0.00 99.37 0.00 88 L E E 30.51 23.68 11.82 34.37 125.37 -165.13 -131.58 130.81 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.00 89 D E E 77.66 4.06 25.99 30.13 121.64 -171.06 -123.97 130.32 0.56 99.43 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.49 0.00 90 I E E 34.14 23.00 11.46 33.30 125.01 -171.04 -125.72 133.65 1.66 98.34 0.01 1.45 0.05 0.00 0.00 0.00 0.00 98.47 0.01 91 D E E 80.01 3.14 24.65 27.46 126.41 -176.43 -130.73 140.05 2.25 97.73 0.01 1.85 0.16 0.02 0.00 0.00 0.00 97.95 0.02 92 I E E 59.63 18.10 10.33 27.37 118.49 -151.02 -111.86 126.76 5.83 94.14 0.03 4.79 0.68 0.08 0.01 0.02 0.00 94.31 0.12 93 T E E 90.54 2.19 16.76 19.23 113.11 176.57 -125.93 103.28 20.78 79.08 0.14 16.26 3.39 0.82 0.03 0.12 0.00 78.92 0.46 94 G C T 55.98 1.48 16.39 17.49 109.38 -50.54 63.74 -126.64 98.82 0.84 0.34 2.95 20.39 75.44 0.02 0.37 0.00 0.74 0.09 95 E C T 106.15 10.02 14.29 24.91 98.04 -14.44 -96.35 8.93 99.04 0.66 0.30 2.66 19.86 76.47 0.02 0.32 0.00 0.60 0.07 96 V E E 53.19 9.59 19.03 29.95 122.54 92.63 -110.39 135.49 7.95 92.03 0.02 5.76 1.84 0.12 0.00 0.01 0.00 91.96 0.30 97 F E E 13.13 22.19 15.77 38.22 121.41 -161.72 -114.84 132.66 1.34 98.66 0.00 1.12 0.07 0.00 0.00 0.00 0.00 98.79 0.02 98 G E E 18.74 9.73 25.40 35.96 124.43 -166.65 -118.90 140.78 0.86 99.14 0.00 0.69 0.04 0.00 0.00 0.00 0.00 99.25 0.01 99 V E E 6.05 24.49 16.12 40.99 131.03 -174.73 -133.33 146.23 0.39 99.61 0.00 0.33 0.01 0.00 0.00 0.00 0.00 99.66 0.00 100 D E E 55.63 8.13 26.50 35.29 121.38 -155.11 -115.10 133.11 0.46 99.54 0.00 0.38 0.02 0.00 0.00 0.00 0.00 99.59 0.00 101 A E E 3.77 25.13 15.50 41.07 129.94 -175.54 -129.73 146.32 0.31 99.69 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.72 0.00 102 K E E 81.11 6.98 27.05 34.80 118.92 -151.24 -112.60 128.33 0.18 99.82 0.00 0.15 0.00 0.00 0.00 0.00 0.00 99.84 0.00 103 V E E 5.17 25.28 15.27 41.39 120.07 -162.51 -112.03 129.35 0.29 99.71 0.00 0.27 0.00 0.00 0.00 0.00 0.00 99.72 0.00 104 I E E 57.62 7.30 24.93 32.94 120.63 -164.93 -114.44 130.86 1.14 98.86 0.00 1.06 0.02 0.00 0.00 0.00 0.00 98.90 0.02 105 T E E 29.21 18.18 13.49 31.45 118.55 -149.81 -96.30 135.16 9.60 90.39 0.01 8.95 0.28 0.02 0.00 0.00 0.00 90.58 0.16 106 I E E 80.90 7.16 15.96 24.43 113.27 -155.73 -101.51 121.24 41.75 58.19 0.06 40.32 0.75 0.12 0.02 0.03 0.00 57.51 1.25 107 H C C 109.12 7.28 15.18 23.42 111.93 -133.61 -93.70 113.58 99.58 0.41 0.00 99.59 0.08 0.02 0.00 0.00 0.00 0.30 0.01