# 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 108.51 6.55 14.24 21.90 114.04 -163.95 -89.40 134.24 99.93 0.07 0.01 99.88 0.06 0.02 0.00 0.00 0.00 0.04 0.00 1 S C C 68.77 6.44 13.46 21.23 114.72 -146.58 -98.53 134.61 90.13 9.49 0.38 86.02 1.47 2.03 0.07 0.24 0.00 9.51 0.65 2 Q C E 76.91 11.04 13.97 25.69 122.56 -159.83 -112.73 140.62 58.44 41.18 0.38 41.18 14.66 1.89 0.05 0.38 0.00 41.21 0.64 3 K E E 96.14 9.13 19.14 28.90 124.24 -153.33 -114.75 138.66 20.37 79.53 0.10 17.90 2.01 0.18 0.02 0.07 0.00 79.44 0.38 4 I E E 13.00 21.89 15.32 37.36 123.22 -164.29 -119.99 134.17 3.25 96.75 0.01 3.13 0.11 0.01 0.00 0.00 0.00 96.67 0.08 5 R E E 96.86 8.59 24.60 33.54 117.82 -157.68 -110.84 127.10 1.15 98.85 0.00 1.08 0.03 0.00 0.00 0.00 0.00 98.87 0.02 6 I E E 6.97 24.58 16.38 41.53 120.72 -167.24 -115.43 128.81 0.71 99.29 0.00 0.71 0.01 0.00 0.00 0.00 0.00 99.27 0.01 7 K E E 83.23 8.32 26.64 35.43 116.86 -160.50 -107.86 125.05 0.76 99.24 0.00 0.73 0.01 0.00 0.00 0.00 0.00 99.24 0.01 8 L E E 5.21 25.69 16.08 42.45 122.18 -169.99 -116.17 135.31 2.55 97.45 0.00 2.58 0.04 0.00 0.00 0.00 0.00 97.32 0.06 9 K E E 90.22 8.14 26.35 35.01 125.00 -168.57 -120.28 137.62 8.68 91.30 0.02 8.10 0.45 0.03 0.00 0.01 0.00 91.08 0.33 10 S E E 11.92 20.32 14.90 35.22 139.56 158.40 -150.56 161.04 38.72 61.21 0.07 35.72 2.09 0.18 0.01 0.05 0.00 60.75 1.20 11 Y C S 132.55 6.95 20.71 28.40 95.67 -135.12 -83.40 -17.18 98.85 1.12 0.03 6.20 92.26 0.64 0.00 0.01 0.00 0.79 0.08 12 D C C 62.08 8.20 17.99 27.43 109.64 78.60 -101.88 106.68 99.05 0.84 0.11 77.67 21.10 0.39 0.05 0.04 0.00 0.34 0.40 13 H H H 92.66 12.54 14.43 27.53 93.30 -170.68 -63.17 -35.10 2.58 0.01 97.42 0.41 0.41 1.57 97.05 0.55 0.00 0.00 0.00 14 M H H 124.54 1.71 21.51 22.06 91.98 54.62 -64.18 -40.08 1.24 0.00 98.76 0.10 0.10 0.96 98.37 0.46 0.00 0.00 0.00 15 L H H 39.97 11.14 18.86 31.09 92.06 48.68 -65.52 -41.50 0.46 0.00 99.54 0.07 0.04 0.29 99.19 0.41 0.00 0.00 0.00 16 V H H 3.66 25.06 14.59 39.96 91.26 50.19 -63.52 -43.62 0.18 0.00 99.82 0.03 0.01 0.09 99.79 0.07 0.00 0.00 0.00 17 D H H 65.17 9.37 23.05 32.44 91.56 50.52 -63.31 -42.07 0.16 0.00 99.84 0.02 0.01 0.08 99.87 0.02 0.00 0.00 0.00 18 K H H 111.40 2.65 26.47 28.06 91.67 49.19 -64.41 -41.79 0.14 0.00 99.85 0.01 0.01 0.09 99.87 0.02 0.00 0.00 0.00 19 S H H 8.00 18.94 21.14 40.17 91.84 49.43 -64.25 -42.79 0.15 0.00 99.85 0.01 0.00 0.09 99.88 0.02 0.00 0.00 0.00 20 A H H 5.71 23.03 19.63 42.41 91.16 51.87 -62.60 -42.21 0.10 0.00 99.90 0.01 0.00 0.06 99.92 0.01 0.00 0.00 0.00 21 E H H 103.21 4.42 26.13 30.77 91.43 51.03 -63.71 -41.67 0.07 0.00 99.93 0.00 0.00 0.04 99.95 0.01 0.00 0.00 0.00 22 K H H 85.61 7.46 25.19 32.99 91.57 49.57 -64.65 -42.10 0.08 0.00 99.92 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 23 I H H 2.74 26.02 20.06 46.17 91.38 49.06 -63.86 -43.64 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 24 V H H 26.07 17.74 21.50 38.65 91.39 50.43 -62.74 -42.60 0.12 0.00 99.88 0.01 0.00 0.07 99.90 0.01 0.00 0.00 0.00 25 K H H 118.29 2.24 26.17 27.03 91.55 50.21 -63.91 -41.72 0.37 0.00 99.63 0.03 0.01 0.24 99.66 0.05 0.00 0.00 0.00 26 T H H 25.44 13.19 20.74 34.61 92.16 49.33 -64.77 -42.22 1.25 0.00 98.74 0.06 0.06 0.98 98.76 0.13 0.00 0.00 0.00 27 V H H 5.03 24.58 14.71 39.32 91.76 49.88 -64.54 -41.95 2.32 0.02 97.66 0.26 0.21 1.65 97.44 0.41 0.01 0.01 0.01 28 K H H 124.39 5.91 19.13 26.40 91.47 52.17 -62.96 -39.62 4.62 0.06 95.32 0.82 0.35 3.38 93.03 2.34 0.01 0.04 0.02 29 T H H 98.31 2.58 19.40 21.95 91.11 54.17 -67.31 -27.71 14.61 0.08 85.31 0.70 0.70 13.51 83.13 1.85 0.04 0.04 0.04 30 T C T 45.00 13.49 14.42 28.42 94.56 50.67 -91.01 -1.52 63.97 0.09 35.93 0.80 2.21 60.47 34.12 2.27 0.02 0.03 0.09 31 G C T 50.87 2.56 21.77 23.94 97.73 -103.24 88.26 10.33 99.81 0.04 0.15 5.51 3.12 91.24 0.05 0.04 0.00 0.02 0.01 32 A C C 12.56 21.82 10.52 31.76 119.89 142.60 -83.87 146.57 97.34 2.64 0.02 96.08 1.41 0.06 0.00 0.01 0.00 2.32 0.13 33 V E E 83.90 4.45 24.97 29.44 112.79 -131.70 -92.26 124.21 30.54 69.41 0.04 29.76 0.84 0.06 0.02 0.02 0.00 67.72 1.58 34 V E E 27.03 22.95 11.40 33.41 118.82 -162.92 -107.23 127.58 7.80 92.17 0.03 7.74 0.23 0.02 0.02 0.01 0.00 86.33 5.64 35 T E E 86.83 4.09 20.80 25.40 111.05 -171.43 -110.30 54.99 31.94 68.03 0.03 24.49 7.01 0.32 0.01 0.03 0.00 67.36 0.78 36 G C S 32.45 4.68 21.09 26.20 134.06 -20.82 121.96 -176.27 64.69 35.29 0.01 13.57 49.63 0.51 0.00 0.02 0.00 36.02 0.26 37 P C C 65.45 13.02 16.86 29.73 116.04 -59.91 -69.88 145.89 70.84 29.14 0.02 65.58 3.80 0.11 0.00 0.02 0.00 30.01 0.49 38 I E E 26.78 18.22 15.76 34.41 118.41 -153.71 -114.34 126.52 23.95 76.03 0.02 22.49 1.00 0.03 0.01 0.01 0.00 65.22 11.24 39 P E E 74.15 6.24 23.89 30.62 115.29 -117.13 -69.34 144.00 39.58 60.40 0.01 38.58 1.26 0.04 0.00 0.01 0.00 56.50 3.62 40 L C C 36.36 21.11 14.10 34.39 115.99 -113.81 -78.56 139.48 93.69 6.30 0.01 91.13 3.13 0.04 0.00 0.01 0.00 5.20 0.49 41 P C C 33.27 14.20 15.97 31.01 114.42 -104.54 -65.34 147.06 93.22 6.68 0.10 91.70 1.83 0.22 0.02 0.07 0.00 5.30 0.85 42 T C S 91.48 5.30 17.51 24.12 98.77 -153.46 -90.71 -17.35 86.31 13.54 0.14 28.89 56.49 1.28 0.01 0.14 0.00 12.52 0.66 43 H E E 99.54 5.04 18.49 24.58 125.73 53.13 -120.19 142.39 34.86 64.97 0.18 19.39 15.62 1.06 0.02 0.17 0.00 63.19 0.54 44 K E E 94.22 14.51 13.49 27.65 127.74 -165.39 -127.72 140.02 11.13 88.79 0.08 10.21 0.70 0.07 0.01 0.04 0.00 88.80 0.16 45 K E E 83.56 8.55 18.44 28.05 127.36 -170.92 -127.40 141.36 1.22 98.77 0.01 1.08 0.06 0.01 0.00 0.00 0.00 98.81 0.04 46 L E E 73.56 10.94 16.65 28.46 118.65 -145.99 -105.46 129.73 0.60 99.40 0.00 0.53 0.02 0.00 0.00 0.00 0.00 99.44 0.01 47 F E E 42.14 13.62 15.49 30.43 126.29 -172.28 -121.75 142.17 0.79 99.21 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.01 48 T E E 58.24 8.67 19.00 28.74 120.58 -148.87 -110.20 133.59 2.17 97.82 0.01 2.11 0.05 0.00 0.00 0.00 0.00 97.74 0.09 49 V E E 28.88 15.38 14.05 30.34 119.37 -158.56 -111.72 131.30 15.78 84.13 0.09 14.03 1.49 0.13 0.03 0.04 0.00 83.61 0.67 50 L C C 74.05 7.38 15.88 24.85 112.86 -129.63 -82.73 130.37 55.07 44.70 0.23 45.94 7.73 0.75 0.06 0.18 0.00 44.18 1.16 51 R C C 130.77 7.20 13.41 22.01 109.87 -154.90 -92.61 113.34 82.63 17.14 0.23 61.02 19.95 1.49 0.05 0.23 0.00 15.48 1.79 52 S C C 43.33 6.11 11.48 19.54 129.01 50.95 -130.07 155.19 90.98 8.69 0.33 67.02 22.25 2.06 0.10 0.29 0.00 4.96 3.32 53 P C T 114.14 1.96 11.20 14.33 92.03 -107.80 -65.20 -20.47 97.99 0.39 1.63 2.82 23.15 72.22 0.17 1.26 0.00 0.22 0.15 54 H C T 151.49 1.38 11.41 13.08 98.60 54.75 -91.27 0.23 97.16 1.02 1.82 4.44 21.83 71.08 0.28 1.38 0.00 0.68 0.29 55 V C S 60.75 9.91 6.92 17.49 117.43 89.41 -97.58 140.64 84.09 12.80 3.10 39.44 39.52 5.24 1.30 1.67 0.01 5.51 7.30 56 N C C 94.11 2.91 12.55 16.43 115.68 -138.29 -91.07 139.42 93.45 3.87 2.68 85.57 5.37 2.56 1.39 1.24 0.00 2.53 1.32 57 K H G 149.93 3.02 10.89 15.82 94.25 -116.62 -62.63 -31.59 48.01 1.76 50.23 8.07 7.79 32.60 11.29 38.36 0.09 1.12 0.69 58 K H G 150.19 1.46 14.14 15.61 93.21 59.44 -70.40 -25.19 44.49 2.42 53.10 8.27 6.58 29.92 13.57 39.13 0.12 1.66 0.74 59 A H G 36.60 9.53 11.05 22.15 95.12 60.80 -75.90 -18.87 37.40 5.34 57.26 17.37 8.25 14.12 13.87 41.30 0.04 4.11 0.94 60 R C C 103.86 11.15 12.30 23.75 101.59 79.59 -79.39 1.90 50.32 19.41 30.28 32.44 9.91 9.19 11.82 17.48 0.08 16.83 2.24 61 E C C 109.50 5.53 15.95 22.49 103.79 73.37 -84.03 22.20 55.67 32.23 12.10 38.80 12.24 5.40 3.99 7.03 0.02 31.24 1.29 62 Q E E 97.74 6.84 16.10 23.94 110.59 76.75 -97.99 95.66 35.82 60.09 4.09 24.53 9.31 2.77 1.38 2.07 0.00 59.21 0.73 63 F E E 56.84 17.07 11.72 28.15 128.64 85.34 -122.75 146.73 12.02 87.58 0.40 10.66 0.92 0.17 0.15 0.15 0.00 87.73 0.23 64 E E E 93.17 6.56 19.40 27.02 124.11 -162.29 -119.98 138.02 1.20 98.71 0.09 1.04 0.07 0.02 0.03 0.02 0.00 98.76 0.05 65 V E E 55.53 15.06 14.87 29.92 119.01 -149.32 -104.90 130.24 0.97 98.96 0.06 0.88 0.05 0.01 0.02 0.02 0.00 98.98 0.04 66 M E E 58.20 10.65 17.58 29.56 122.23 -168.13 -115.08 134.73 3.61 96.23 0.16 3.00 0.39 0.12 0.04 0.08 0.00 96.28 0.08 67 S E E 47.70 11.84 17.05 29.39 124.27 -162.52 -115.71 138.80 8.05 91.66 0.29 5.97 1.69 0.47 0.06 0.17 0.00 91.45 0.18 68 Y E E 60.33 13.99 16.43 31.05 128.30 -171.99 -126.60 144.89 10.85 88.96 0.19 9.15 1.51 0.34 0.05 0.13 0.00 88.43 0.40 69 K E E 101.92 9.90 19.51 29.89 123.38 -153.01 -112.77 137.69 14.02 85.89 0.09 11.50 1.86 0.20 0.01 0.06 0.00 86.17 0.19 70 R E E 56.72 16.33 17.84 33.88 124.71 -141.98 -115.77 138.72 6.75 93.20 0.05 5.97 0.55 0.07 0.01 0.02 0.00 93.27 0.11 71 L E E 45.62 12.70 21.81 35.08 119.22 -155.10 -110.80 129.42 1.50 98.49 0.00 1.36 0.06 0.00 0.00 0.00 0.00 98.54 0.04 72 I E E 11.20 22.49 18.58 41.24 119.67 -164.47 -113.01 126.52 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 73 D E E 52.43 9.78 25.80 36.00 114.88 -156.87 -103.84 121.29 1.57 98.41 0.01 1.44 0.04 0.01 0.00 0.00 0.00 98.47 0.04 74 I E E 9.41 23.66 15.79 39.77 112.16 -167.41 -106.01 108.69 29.00 68.53 2.47 26.63 1.41 0.78 0.64 1.38 0.00 68.60 0.57 75 Y C E 102.99 9.31 20.88 30.19 112.12 124.62 -90.86 135.63 55.69 40.61 3.70 19.21 16.52 21.30 0.59 2.85 0.01 38.58 0.94 76 S C S 74.96 4.33 21.55 26.19 99.77 10.10 -81.69 32.10 82.32 14.64 3.03 18.33 36.55 27.80 0.37 2.46 0.01 13.61 0.87 77 S C C 23.83 20.27 10.57 29.41 123.63 130.08 -98.49 150.96 90.82 7.90 1.28 70.69 18.61 1.73 0.46 0.81 0.00 5.63 2.07 78 S C C 51.41 4.47 20.71 25.10 123.23 -126.51 -89.12 165.21 97.37 1.38 1.25 91.48 5.29 0.71 0.95 0.24 0.00 0.61 0.73 79 S H H 68.76 8.02 14.59 23.81 91.69 -101.25 -60.46 -34.95 7.71 0.03 92.25 1.45 1.96 4.35 91.30 0.89 0.01 0.01 0.02 80 K H H 134.75 2.10 19.87 21.61 91.80 54.78 -64.79 -39.74 4.15 0.02 95.83 0.55 0.55 2.95 95.15 0.79 0.01 0.01 0.01 81 T H H 24.44 15.47 16.84 32.62 92.46 48.49 -66.04 -41.96 1.69 0.01 98.29 0.38 0.19 1.02 97.71 0.68 0.00 0.01 0.00 82 I H H 14.06 20.57 15.78 36.34 91.52 50.73 -63.00 -42.87 0.40 0.00 99.60 0.09 0.04 0.22 99.34 0.32 0.00 0.00 0.00 83 D H H 77.12 4.14 22.63 26.66 91.46 50.91 -63.40 -39.84 0.52 0.00 99.48 0.07 0.03 0.34 99.04 0.51 0.00 0.00 0.00 84 A H H 33.04 8.10 19.73 29.21 91.66 51.79 -64.26 -40.85 0.96 0.00 99.04 0.07 0.05 0.74 98.11 1.02 0.00 0.00 0.00 85 L H H 10.38 23.31 15.61 38.55 92.12 51.80 -65.38 -39.18 2.39 0.01 97.60 0.14 0.12 1.99 96.03 1.70 0.00 0.01 0.00 86 M H H 70.06 14.06 17.51 31.39 91.20 57.07 -69.09 -24.02 26.56 0.11 73.33 1.11 1.11 24.30 70.98 2.34 0.04 0.05 0.06 87 K C T 148.75 1.79 20.98 22.00 94.81 56.78 -87.61 -6.31 63.55 0.34 36.11 3.25 2.55 55.40 35.76 2.70 0.02 0.15 0.16 88 L C C 38.33 18.53 10.09 27.96 117.48 107.77 -77.61 141.19 94.60 3.40 2.00 65.36 26.80 2.53 1.71 0.49 0.00 1.80 1.31 89 E C C 144.93 1.83 21.65 23.11 112.44 -132.45 -89.65 123.18 89.25 10.31 0.43 87.80 1.60 0.52 0.27 0.13 0.00 5.93 3.76 90 L C C 38.10 21.85 10.20 30.55 119.25 -152.00 -95.41 136.76 94.79 5.17 0.04 92.14 3.21 0.05 0.02 0.01 0.00 2.74 1.82 91 P C C 44.00 9.45 16.08 27.20 116.98 -106.87 -65.30 153.83 98.82 0.99 0.18 97.68 0.93 0.43 0.04 0.09 0.00 0.57 0.26 92 S C T 89.22 2.29 17.08 20.27 111.29 -87.84 -63.20 138.86 98.50 0.81 0.69 1.18 6.89 90.54 0.06 0.57 0.00 0.53 0.23 93 G C T 44.06 4.62 17.85 23.55 96.74 24.29 87.48 -5.51 98.03 1.50 0.47 2.43 6.27 89.33 0.02 0.47 0.00 1.38 0.10 94 V C C 19.50 21.08 10.34 30.97 119.46 116.06 -99.34 133.86 58.26 41.65 0.09 54.07 2.88 0.17 0.02 0.07 0.00 41.99 0.81 95 E E E 106.41 4.36 23.80 28.54 118.91 -154.54 -107.35 131.59 11.59 88.38 0.03 11.39 0.31 0.04 0.01 0.01 0.00 88.00 0.24 96 V E E 22.91 23.30 12.23 34.79 124.35 -168.66 -122.23 134.62 5.14 94.86 0.01 5.18 0.08 0.01 0.00 0.00 0.00 94.67 0.07 97 E E E 96.69 4.73 24.18 29.23 122.82 -168.23 -119.69 134.38 3.10 96.89 0.00 3.13 0.05 0.00 0.00 0.00 0.00 96.76 0.05 98 I E E 40.20 20.75 12.17 32.01 121.22 -161.99 -114.93 129.98 5.09 94.91 0.01 5.23 0.07 0.01 0.00 0.00 0.00 94.57 0.12 99 K E E 111.49 4.46 19.45 24.99 122.80 -169.99 -119.67 136.58 14.00 85.99 0.01 14.25 0.14 0.02 0.00 0.00 0.00 85.13 0.46 100 V C C 65.99 13.40 13.54 27.03 116.15 -145.13 -99.22 129.11 96.53 3.47 0.00 96.64 0.06 0.00 0.00 0.00 0.00 3.27 0.02