# 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 104.62 7.71 14.45 23.06 113.86 -153.21 -94.48 124.98 99.86 0.12 0.02 99.79 0.09 0.04 0.00 0.00 0.00 0.06 0.01 1 A C C 73.30 5.51 12.51 19.78 111.76 -132.34 -75.95 135.11 95.26 2.68 2.06 76.38 2.89 16.21 0.50 1.24 0.00 2.15 0.63 2 G C C 49.67 3.91 15.20 20.15 104.67 17.74 84.59 -3.54 92.31 6.23 1.46 42.29 23.70 26.31 0.12 1.61 0.00 5.41 0.56 3 Q C C 73.35 11.14 13.69 25.57 119.37 135.49 -97.05 140.95 75.81 23.18 1.00 56.70 14.92 2.79 0.11 1.04 0.00 23.74 0.70 4 K E E 93.78 9.35 19.70 29.57 123.05 -148.51 -110.37 138.50 26.32 73.58 0.10 24.06 1.83 0.15 0.02 0.07 0.00 73.14 0.72 5 I E E 11.19 22.83 15.64 38.66 122.56 -160.52 -116.65 133.41 3.47 96.53 0.00 3.38 0.10 0.01 0.00 0.00 0.00 96.40 0.11 6 R E E 87.67 9.31 25.13 34.72 118.47 -159.71 -112.22 127.28 0.89 99.11 0.00 0.85 0.02 0.00 0.00 0.00 0.00 99.11 0.01 7 I E E 6.40 24.79 17.20 42.52 120.70 -166.74 -114.76 128.73 0.44 99.56 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.54 0.00 8 R E E 85.58 9.28 26.77 36.49 117.34 -162.63 -110.24 124.27 0.40 99.60 0.00 0.39 0.01 0.00 0.00 0.00 0.00 99.60 0.01 9 L E E 4.29 25.92 17.18 43.84 123.38 -170.27 -115.28 135.80 1.10 98.90 0.00 1.11 0.01 0.00 0.00 0.00 0.00 98.85 0.02 10 K E E 83.34 8.88 26.95 36.34 125.67 -169.08 -121.82 138.12 3.98 96.02 0.00 3.75 0.16 0.01 0.00 0.00 0.00 95.93 0.15 11 A E E 8.75 21.93 14.23 36.10 137.04 163.33 -145.64 158.96 28.83 71.13 0.04 27.90 0.84 0.07 0.01 0.03 0.00 70.13 1.03 12 Y C S 131.71 6.32 21.08 28.12 94.76 -134.34 -78.35 -23.58 99.12 0.86 0.02 4.87 93.97 0.50 0.00 0.01 0.00 0.59 0.05 13 D C C 65.81 7.13 19.23 27.37 113.05 56.59 -115.46 106.80 99.28 0.64 0.09 69.23 29.78 0.38 0.04 0.03 0.00 0.25 0.28 14 H H H 88.85 13.61 14.22 28.05 93.19 -165.73 -62.74 -35.37 1.91 0.00 98.09 0.29 0.29 1.12 97.79 0.51 0.00 0.00 0.00 15 E H H 136.25 1.43 21.91 21.99 91.73 54.90 -64.19 -40.21 0.90 0.00 99.10 0.08 0.07 0.65 98.74 0.45 0.00 0.00 0.00 16 A H H 25.67 10.86 18.65 30.82 92.09 48.62 -65.24 -41.30 0.40 0.00 99.60 0.06 0.03 0.24 99.22 0.45 0.00 0.00 0.00 17 I H H 4.57 25.06 14.75 40.07 91.23 50.49 -63.15 -43.54 0.16 0.00 99.83 0.03 0.01 0.08 99.81 0.07 0.00 0.00 0.00 18 D H H 65.86 9.20 23.37 32.61 91.37 50.33 -63.23 -42.10 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 19 A H H 52.59 3.14 25.93 28.33 91.37 49.57 -63.81 -42.67 0.17 0.00 99.83 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 20 S H H 7.76 19.31 20.94 40.28 91.77 49.69 -64.23 -41.95 0.24 0.00 99.76 0.02 0.01 0.16 99.79 0.02 0.00 0.00 0.00 21 A H H 7.27 22.73 19.84 42.17 91.19 52.08 -62.57 -42.25 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 22 R H H 135.85 3.81 25.96 30.13 91.26 51.40 -63.55 -41.38 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 23 K H H 83.33 8.38 25.05 33.72 91.65 49.90 -64.57 -42.18 0.07 0.00 99.93 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 24 I H H 2.23 26.47 20.17 46.81 91.39 49.12 -63.79 -43.72 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 25 V H H 27.87 17.12 22.02 38.63 91.42 49.94 -62.81 -42.88 0.12 0.00 99.88 0.01 0.00 0.06 99.91 0.01 0.00 0.00 0.00 26 E H H 103.07 2.54 26.36 27.58 91.52 50.13 -63.80 -41.97 0.26 0.00 99.74 0.03 0.01 0.14 99.80 0.02 0.00 0.00 0.00 27 T H H 19.98 13.91 20.60 35.25 91.89 49.60 -64.48 -42.75 0.55 0.00 99.44 0.04 0.03 0.37 99.50 0.06 0.00 0.00 0.00 28 V H H 5.91 23.88 15.00 38.96 91.62 50.23 -63.74 -42.50 1.03 0.01 98.96 0.17 0.09 0.62 98.93 0.19 0.00 0.00 0.00 29 V H H 90.27 6.35 19.25 26.55 92.02 50.07 -64.11 -40.36 1.88 0.01 98.10 0.29 0.12 1.33 97.61 0.63 0.00 0.01 0.00 30 R H H 162.33 2.22 19.57 21.81 90.92 53.23 -66.01 -29.42 8.59 0.03 91.39 0.32 0.35 7.96 90.72 0.61 0.01 0.01 0.01 31 T C T 44.46 13.50 14.21 28.27 94.39 48.92 -89.84 -1.18 66.73 0.06 33.21 0.54 1.55 63.30 33.57 0.97 0.01 0.02 0.05 32 G C T 54.06 1.95 21.55 22.78 97.00 -104.41 87.60 11.08 99.80 0.03 0.17 3.85 2.33 93.69 0.06 0.04 0.00 0.02 0.01 33 A C C 12.46 22.25 9.69 31.06 120.45 141.66 -83.55 148.55 98.43 1.56 0.02 96.81 1.64 0.08 0.00 0.01 0.00 1.38 0.08 34 S E E 69.87 3.29 24.80 27.83 113.57 -126.59 -89.08 130.48 32.00 67.95 0.05 30.76 0.98 0.09 0.01 0.03 0.00 67.56 0.58 35 V E E 35.84 22.45 11.76 32.97 118.92 -160.05 -109.14 128.15 4.74 95.24 0.02 4.73 0.14 0.01 0.01 0.01 0.00 92.89 2.21 36 V E E 80.80 5.95 20.36 26.90 114.68 -171.59 -112.27 116.81 16.54 83.44 0.02 13.44 2.72 0.15 0.00 0.02 0.00 83.08 0.59 37 G E E 32.27 5.12 20.82 26.56 131.91 -27.97 111.35 -175.86 45.39 54.60 0.01 20.34 24.12 0.33 0.00 0.01 0.00 54.97 0.22 38 P C C 63.02 14.65 15.65 29.71 115.85 -64.96 -70.62 145.02 54.94 45.04 0.02 48.91 4.25 0.13 0.00 0.02 0.00 46.06 0.63 39 V E E 35.07 14.88 16.65 32.35 119.18 -157.33 -115.54 126.84 25.61 74.37 0.02 23.53 1.41 0.04 0.01 0.01 0.00 66.76 8.24 40 P E E 78.27 6.33 22.47 29.35 114.79 -114.29 -68.23 144.04 43.10 56.89 0.01 41.51 1.50 0.05 0.00 0.01 0.00 54.09 2.85 41 L C C 37.37 20.81 12.95 32.88 116.56 -115.41 -82.59 140.04 93.32 6.67 0.01 90.81 3.01 0.04 0.00 0.01 0.00 5.65 0.48 42 P C C 43.10 11.43 16.92 29.42 114.22 -104.52 -65.37 148.66 93.02 6.90 0.08 90.74 2.35 0.22 0.01 0.06 0.00 5.99 0.62 43 T C S 87.28 6.70 16.47 24.40 98.74 -153.68 -89.18 -17.11 78.50 21.34 0.15 31.74 46.27 0.96 0.01 0.16 0.00 20.23 0.62 44 E E E 97.32 5.55 17.73 24.46 126.41 50.61 -117.57 143.75 13.55 86.26 0.19 10.74 2.79 0.36 0.03 0.14 0.00 85.60 0.35 45 K E E 95.52 13.04 13.66 26.88 126.62 -166.94 -127.84 139.96 3.29 96.65 0.05 2.93 0.24 0.04 0.01 0.02 0.00 96.68 0.08 46 N E E 60.79 9.00 17.00 27.30 124.80 -167.14 -122.55 140.25 1.06 98.93 0.01 0.93 0.05 0.00 0.00 0.00 0.00 98.99 0.02 47 V E E 60.37 10.73 16.33 28.31 119.87 -154.11 -111.14 130.24 0.90 99.09 0.01 0.81 0.04 0.00 0.00 0.00 0.00 99.13 0.02 48 Y E E 61.72 12.00 15.93 29.29 124.31 -169.53 -118.69 139.00 1.18 98.81 0.02 1.08 0.05 0.01 0.00 0.01 0.00 98.82 0.03 49 C E E 43.66 10.33 17.10 28.95 120.67 -151.64 -110.47 135.11 2.48 97.50 0.02 2.33 0.10 0.01 0.00 0.01 0.00 97.46 0.08 50 V E E 39.80 11.69 15.93 29.20 118.41 -158.87 -110.36 127.61 7.37 92.56 0.06 6.74 0.46 0.06 0.02 0.03 0.00 92.25 0.44 51 I E E 67.56 9.09 14.93 25.64 116.00 -146.73 -96.08 130.28 29.27 70.48 0.25 23.20 5.48 0.71 0.06 0.17 0.00 69.62 0.76 52 R C C 120.92 6.61 13.91 21.96 113.59 -154.23 -98.25 126.91 61.12 38.36 0.52 41.70 17.67 2.30 0.12 0.43 0.00 35.98 1.79 53 S C C 41.45 7.22 10.76 19.98 118.50 -121.94 -102.69 139.66 84.85 14.05 1.11 64.62 16.30 3.60 0.31 0.93 0.00 12.00 2.24 54 P C T 93.94 3.81 10.94 16.41 95.33 -122.21 -66.77 -19.54 89.69 1.48 8.83 14.10 29.68 46.62 1.64 6.51 0.00 0.87 0.57 55 H C T 136.84 2.23 9.75 13.12 103.74 63.63 -87.06 -1.96 85.81 2.23 11.95 13.62 28.07 45.01 2.34 8.62 0.02 1.17 1.14 56 K C S 148.10 2.23 10.50 13.76 101.32 -7.23 -78.45 -10.33 81.98 5.15 12.87 20.68 31.58 30.97 2.32 9.52 0.03 2.80 2.11 57 Y C C 126.13 5.21 8.76 15.64 108.10 52.01 -104.46 83.46 82.98 7.92 9.09 45.55 16.96 20.91 1.98 7.20 0.01 5.03 2.36 58 K C T 139.87 3.42 10.57 15.78 98.65 171.91 -74.76 -21.76 81.10 8.05 10.85 22.02 16.73 43.21 1.68 8.94 0.02 5.63 1.77 59 D C T 116.15 1.68 13.27 15.34 99.18 49.01 -88.43 9.56 82.06 7.86 10.08 21.43 18.55 42.73 1.33 8.61 0.01 6.11 1.24 60 S C C 42.60 9.22 9.49 20.23 117.56 114.17 -89.57 141.35 76.12 16.96 6.92 52.58 16.01 7.60 1.19 6.07 0.00 14.69 1.86 61 R C C 124.39 6.79 13.27 21.63 119.37 -152.48 -109.72 140.01 55.33 41.81 2.86 41.18 10.42 3.88 0.73 2.25 0.01 39.12 2.42 62 E E E 94.79 8.96 13.81 23.88 117.96 -148.51 -100.63 135.98 35.07 63.47 1.46 27.54 5.48 1.71 0.27 1.20 0.00 62.96 0.84 63 H E E 96.69 7.76 15.17 24.22 122.27 -155.37 -116.75 137.45 17.95 81.50 0.55 14.71 2.44 0.83 0.14 0.41 0.00 81.11 0.36 64 F E E 72.42 12.88 12.71 26.36 127.65 -171.58 -124.33 146.44 5.99 93.97 0.03 5.43 0.27 0.03 0.01 0.01 0.00 94.14 0.11 65 E E E 89.09 7.11 17.64 26.06 125.17 -163.13 -123.65 139.76 0.92 99.07 0.01 0.80 0.04 0.00 0.00 0.00 0.00 99.12 0.02 66 M E E 71.13 13.32 14.62 28.34 124.37 -159.71 -117.92 137.22 0.75 99.25 0.00 0.67 0.02 0.00 0.00 0.00 0.00 99.29 0.01 67 R E E 91.93 9.34 17.80 28.22 123.58 -169.16 -118.99 135.09 1.22 98.77 0.01 1.11 0.04 0.00 0.00 0.00 0.00 98.82 0.02 68 T E E 52.27 12.05 16.95 29.71 122.30 -160.82 -114.54 134.34 3.30 96.69 0.01 2.82 0.26 0.03 0.00 0.01 0.00 96.83 0.06 69 H E E 45.01 13.51 17.09 31.59 126.15 -172.34 -123.39 140.59 4.74 95.24 0.02 4.13 0.43 0.05 0.00 0.01 0.00 95.26 0.12 70 K E E 93.52 10.48 20.14 30.94 123.18 -152.01 -111.66 138.72 6.92 93.08 0.01 6.40 0.29 0.01 0.00 0.00 0.00 93.20 0.10 71 R E E 40.43 17.93 17.52 35.28 126.92 -166.82 -123.65 139.24 3.93 96.06 0.00 3.67 0.15 0.01 0.00 0.00 0.00 96.11 0.06 72 L E E 44.98 10.97 23.25 35.09 118.66 -152.12 -108.99 128.83 0.91 99.09 0.00 0.81 0.03 0.00 0.00 0.00 0.00 99.15 0.02 73 I E E 8.28 23.34 17.64 41.51 120.12 -165.01 -114.40 129.02 0.23 99.77 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.01 74 D E E 50.35 9.18 25.91 35.70 115.47 -158.77 -105.23 122.94 0.34 99.66 0.00 0.30 0.01 0.00 0.00 0.00 0.00 99.69 0.00 75 I E E 10.36 22.85 16.05 39.40 115.13 -162.10 -106.72 122.27 3.98 96.01 0.01 3.88 0.09 0.01 0.00 0.00 0.00 95.82 0.19 76 I E E 63.81 8.68 20.80 30.26 120.65 -165.06 -105.29 140.55 35.44 64.52 0.04 14.37 20.14 0.88 0.00 0.04 0.00 64.13 0.43 77 D C S 102.50 3.42 22.31 25.95 94.49 3.89 58.35 51.33 90.80 9.19 0.01 8.29 80.94 1.06 0.00 0.01 0.00 9.56 0.14 78 P C C 18.01 22.56 9.67 31.25 118.10 -170.15 -72.46 146.61 96.03 3.94 0.03 91.43 4.95 0.12 0.01 0.02 0.00 2.87 0.60 79 T C C 58.64 4.94 20.44 25.64 120.67 -123.67 -80.68 159.74 99.77 0.19 0.05 99.10 0.70 0.03 0.03 0.00 0.00 0.06 0.08 80 P H H 90.32 5.67 14.98 22.24 91.12 -106.97 -58.05 -36.23 3.43 0.00 96.57 0.23 0.35 2.68 95.94 0.79 0.00 0.00 0.00 81 K H H 136.49 1.78 19.10 20.23 91.61 53.88 -64.78 -39.46 2.02 0.00 97.98 0.12 0.13 1.66 97.21 0.87 0.00 0.00 0.00 82 T H H 19.92 16.34 15.48 32.15 92.56 48.13 -66.19 -41.73 0.74 0.00 99.25 0.10 0.05 0.49 98.57 0.78 0.00 0.00 0.00 83 V H H 19.37 18.38 15.42 33.93 91.44 51.14 -62.68 -43.20 0.25 0.00 99.75 0.03 0.02 0.14 99.45 0.35 0.00 0.00 0.00 84 D H H 81.45 2.90 21.81 23.99 91.41 50.59 -63.75 -39.93 0.57 0.00 99.43 0.05 0.03 0.41 98.72 0.80 0.00 0.00 0.00 85 A H H 35.09 7.81 18.51 27.76 91.75 51.71 -64.85 -40.04 1.32 0.00 98.68 0.07 0.05 1.10 97.14 1.64 0.00 0.00 0.00 86 L H H 15.47 22.05 13.96 35.63 92.22 53.49 -66.52 -34.68 3.45 0.01 96.54 0.20 0.18 2.93 93.38 3.29 0.01 0.01 0.00 87 M H H 86.91 10.97 16.70 28.00 91.38 59.86 -69.82 -20.27 35.64 0.15 64.21 1.45 1.35 32.50 60.62 3.85 0.06 0.08 0.09 88 R C T 171.84 1.56 19.07 19.82 95.55 58.59 -85.46 -7.14 67.25 0.35 32.39 3.81 2.78 59.15 29.97 3.90 0.02 0.19 0.18 89 I C C 50.12 15.81 9.87 25.47 117.51 100.23 -85.10 138.28 91.95 2.99 5.06 51.29 34.74 5.73 4.41 1.03 0.01 1.31 1.47 90 D C C 118.40 1.56 19.70 20.76 108.95 -130.91 -87.95 112.03 93.68 5.63 0.69 89.31 2.59 1.97 0.37 0.25 0.00 3.66 1.86 91 L C C 39.37 20.44 9.05 27.85 120.28 -171.12 -99.54 138.35 95.46 4.48 0.05 90.24 5.51 0.10 0.03 0.02 0.00 2.30 1.79 92 P C C 57.08 6.67 16.05 24.25 115.34 -106.82 -65.98 152.52 98.30 1.49 0.21 97.30 0.92 0.40 0.05 0.09 0.00 0.77 0.47 93 A C T 81.88 3.70 14.77 19.73 106.12 -100.09 -66.36 142.22 98.56 0.65 0.79 1.27 7.58 89.83 0.07 0.63 0.00 0.43 0.19 94 S C T 82.68 3.16 16.70 20.57 95.76 29.84 66.41 7.17 98.46 0.98 0.55 2.50 6.39 89.58 0.03 0.56 0.00 0.85 0.10 95 V C C 30.52 18.14 9.11 26.75 119.83 114.91 -101.01 135.05 69.65 30.12 0.22 61.64 6.39 0.51 0.04 0.22 0.00 30.21 0.99 96 D E E 96.83 2.98 21.49 24.58 113.37 -150.28 -101.78 121.32 21.59 78.29 0.12 20.64 0.80 0.18 0.03 0.07 0.00 77.74 0.54 97 V E E 36.68 20.79 10.44 30.14 124.79 -172.63 -121.71 135.87 11.84 88.14 0.02 11.66 0.22 0.03 0.01 0.01 0.00 87.83 0.25 98 N E E 92.05 3.46 21.02 24.86 122.80 -169.49 -120.33 136.45 7.90 92.09 0.02 7.80 0.15 0.02 0.01 0.01 0.00 91.74 0.27 99 I E E 63.06 16.80 10.39 26.39 119.39 -153.89 -108.84 128.31 20.13 79.84 0.03 20.73 0.15 0.03 0.01 0.01 0.00 78.25 0.82 100 Q C C 112.11 3.85 17.95 22.72 118.85 -170.50 -111.92 134.62 95.98 4.02 0.00 95.85 0.07 0.01 0.00 0.00 0.00 4.04 0.03