# 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 110.12 6.18 13.23 20.73 115.39 -157.74 -94.16 135.72 99.79 0.13 0.09 99.70 0.10 0.07 0.05 0.01 0.00 0.05 0.02 1 T C C 80.72 5.86 11.00 18.38 113.77 -151.49 -88.13 140.26 67.34 1.22 31.43 61.89 1.15 4.34 30.04 1.50 0.00 0.55 0.53 2 S H H 65.78 4.60 11.34 17.39 103.61 -124.73 -74.02 -27.52 40.24 0.88 58.88 27.62 6.06 7.48 55.22 2.85 0.01 0.41 0.35 3 A H H 70.82 3.61 13.09 17.95 95.41 -44.74 -66.55 -34.33 19.93 0.57 79.49 11.77 3.76 6.05 73.58 4.30 0.02 0.31 0.20 4 L H H 77.99 8.37 13.29 22.76 93.64 55.16 -67.84 -37.00 14.81 0.62 84.58 8.35 2.87 5.13 77.97 5.08 0.03 0.39 0.19 5 T H H 55.46 9.40 13.68 24.14 94.18 52.52 -71.23 -33.71 14.47 0.64 84.88 7.87 2.67 5.48 78.27 5.06 0.04 0.41 0.20 6 Q H H 103.81 3.57 17.15 21.25 93.99 58.47 -67.06 -34.77 15.69 0.43 83.88 4.48 2.60 9.52 74.71 8.13 0.12 0.26 0.19 7 G H H 28.72 7.09 15.92 24.44 94.33 49.59 -64.90 -28.50 21.38 0.29 78.33 4.27 2.55 14.45 66.60 11.72 0.09 0.16 0.15 8 L H H 38.85 16.88 11.92 28.42 93.00 65.66 -67.37 -27.26 15.46 0.31 84.22 3.72 1.97 8.63 55.07 30.27 0.04 0.19 0.10 9 E H H 124.82 4.57 16.07 22.23 91.78 65.60 -67.37 -21.69 37.53 0.33 62.14 3.28 2.93 28.97 34.81 29.56 0.07 0.17 0.21 10 R C T 166.59 1.96 17.04 18.98 94.06 58.51 -84.15 -8.32 54.79 0.26 44.95 3.78 4.51 45.76 15.02 30.55 0.03 0.13 0.23 11 I C S 40.36 16.21 8.47 24.33 111.89 94.10 -91.19 119.06 99.42 0.40 0.18 42.26 56.88 0.32 0.09 0.05 0.00 0.09 0.31 12 P C T 96.62 2.56 16.49 19.53 111.16 -115.00 -65.26 143.53 98.37 0.42 1.20 8.00 5.97 84.46 0.14 1.05 0.00 0.25 0.13 13 D C T 110.54 3.71 17.21 22.00 95.23 8.18 63.61 25.47 98.75 0.40 0.85 4.50 7.07 87.16 0.06 0.85 0.00 0.30 0.07 14 Q C C 51.50 16.70 13.46 29.92 115.59 149.04 -83.83 135.06 75.80 22.84 1.36 69.75 4.35 1.31 0.33 1.14 0.00 19.92 3.20 15 L C C 69.85 10.01 22.36 32.57 101.10 -168.61 -98.55 -15.78 67.22 32.34 0.43 44.22 16.17 7.10 0.07 0.44 0.00 29.89 2.12 16 G E E 6.59 16.78 21.94 38.57 143.51 -47.43 161.52 176.85 46.09 53.76 0.15 14.77 22.06 8.42 0.01 0.17 0.00 54.15 0.42 17 Y E E 40.87 17.95 23.83 41.21 138.46 -118.10 -148.36 155.38 8.31 91.67 0.03 7.31 0.88 0.06 0.01 0.02 0.00 91.47 0.27 18 L E E 10.75 22.87 21.99 44.60 120.29 -132.87 -107.01 132.22 0.83 99.17 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.15 0.03 19 V E E 26.69 14.57 24.38 39.43 117.70 -157.72 -108.13 126.45 0.29 99.71 0.00 0.27 0.01 0.00 0.00 0.00 0.00 99.71 0.01 20 L E E 27.88 19.03 16.27 35.27 122.95 -167.86 -114.26 135.73 2.29 97.70 0.01 2.00 0.10 0.01 0.00 0.00 0.00 97.82 0.06 21 S E E 49.10 8.25 17.67 26.85 126.25 173.80 -135.44 138.38 16.36 83.49 0.15 12.64 2.57 0.77 0.02 0.14 0.00 83.48 0.38 22 E C T 153.61 2.17 17.70 20.24 95.08 -14.94 48.14 43.99 98.88 0.67 0.46 2.35 14.10 82.39 0.02 0.53 0.00 0.53 0.08 23 G C T 38.54 9.96 15.39 25.60 96.85 -52.15 84.54 0.93 99.36 0.24 0.40 2.36 16.41 80.54 0.02 0.47 0.00 0.17 0.04 24 A E E 46.97 7.34 20.32 28.58 129.24 94.79 -118.67 149.75 16.72 83.22 0.06 12.25 4.43 0.38 0.01 0.05 0.00 82.15 0.72 25 V E E 30.96 20.66 13.11 33.62 110.01 -113.74 -78.53 123.62 0.92 99.08 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.08 0.05 26 L E E 75.19 7.30 21.38 29.58 100.88 174.94 -98.28 -31.09 0.43 99.57 0.00 0.35 0.03 0.00 0.00 0.00 0.00 99.62 0.01 27 A E E 42.06 7.57 23.90 32.56 142.01 1.34 -157.51 153.01 0.30 99.70 0.00 0.25 0.02 0.00 0.00 0.00 0.00 99.72 0.01 28 S E E 24.95 21.28 12.87 33.05 132.32 -172.93 -141.02 145.80 3.58 96.40 0.01 3.29 0.18 0.02 0.00 0.00 0.00 96.39 0.12 29 S C E 53.23 7.13 21.79 29.37 126.83 -174.23 -131.00 145.76 58.46 41.13 0.41 31.99 24.01 2.76 0.06 0.35 0.00 40.18 0.66 30 G C S 40.86 5.51 18.78 24.84 116.74 -11.69 79.22 -148.54 84.17 11.29 4.54 10.36 54.92 19.32 0.46 3.88 0.01 9.62 1.43 31 D C S 98.92 4.23 20.15 24.71 104.98 -18.19 -89.17 60.77 83.08 7.56 9.36 29.11 30.14 24.12 1.20 8.59 0.01 4.90 1.93 32 L C C 36.00 20.79 10.75 30.00 99.86 139.46 -82.55 15.85 77.15 9.01 13.84 48.56 14.06 14.10 3.36 10.94 0.02 4.92 4.03 33 E C C 117.16 4.66 18.43 24.19 105.04 126.53 -78.07 77.89 82.90 4.46 12.64 32.18 27.92 23.81 5.60 6.17 0.04 2.13 2.16 34 N C C 88.27 6.29 17.50 24.61 99.44 26.51 -40.16 47.78 87.24 1.57 11.19 44.21 22.25 21.37 6.09 4.42 0.00 0.63 1.03 35 D H H 56.08 15.17 13.88 28.36 96.28 144.25 -69.82 -34.86 22.77 0.28 76.94 14.37 4.61 5.32 72.44 3.00 0.00 0.12 0.14 36 E H H 121.30 4.98 19.14 25.35 92.91 58.24 -64.80 -39.16 8.58 0.07 91.35 1.79 1.22 5.54 87.55 3.81 0.03 0.04 0.03 37 Q H H 107.94 3.24 22.95 25.93 92.58 49.09 -66.63 -40.02 7.45 0.11 92.44 2.09 0.98 4.47 87.96 4.38 0.02 0.07 0.04 38 A H H 11.06 18.17 18.49 36.87 91.98 50.59 -65.21 -42.02 4.21 0.05 95.74 1.55 0.58 2.08 94.11 1.63 0.01 0.02 0.02 39 A H H 8.45 20.77 19.29 39.88 91.34 52.11 -62.23 -42.40 0.93 0.00 99.07 0.35 0.09 0.37 99.06 0.14 0.00 0.00 0.00 40 S H H 54.21 5.12 26.68 32.15 91.45 51.23 -63.88 -40.98 0.37 0.00 99.63 0.10 0.03 0.17 99.65 0.06 0.00 0.00 0.00 41 A H H 25.55 12.12 24.53 36.98 91.41 50.46 -64.24 -42.14 0.12 0.00 99.88 0.02 0.01 0.05 99.90 0.02 0.00 0.00 0.00 42 I H H 3.98 26.15 22.17 48.28 91.14 49.86 -63.61 -43.54 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 43 S H H 25.16 16.80 23.75 39.64 91.15 51.18 -62.61 -42.56 0.06 0.00 99.94 0.00 0.00 0.03 99.95 0.01 0.00 0.00 0.00 44 E H H 98.24 4.75 27.70 32.97 91.45 50.42 -64.05 -41.62 0.13 0.00 99.87 0.01 0.00 0.09 99.88 0.01 0.00 0.00 0.00 45 L H H 17.05 19.58 22.92 42.10 91.42 50.02 -63.94 -43.80 0.24 0.00 99.76 0.02 0.01 0.17 99.77 0.03 0.00 0.00 0.00 46 V H H 5.79 24.02 20.55 44.48 91.55 49.13 -63.68 -42.64 0.57 0.01 99.42 0.07 0.04 0.38 99.39 0.11 0.00 0.00 0.00 47 S H H 46.30 9.55 22.42 32.24 92.05 50.46 -64.61 -39.69 2.64 0.03 97.33 0.32 0.17 1.97 97.14 0.38 0.00 0.01 0.01 48 T H H 62.57 7.96 21.67 29.85 92.69 49.12 -67.98 -38.39 6.42 0.05 93.54 0.55 0.44 5.22 93.07 0.67 0.02 0.02 0.02 49 A H H 22.27 17.70 16.62 33.94 94.52 48.70 -74.40 -33.18 15.94 0.15 83.91 1.46 1.63 12.63 83.15 0.95 0.05 0.06 0.07 50 C C H 45.13 13.01 16.12 29.24 101.39 35.01 -97.56 -5.77 53.61 1.07 45.32 7.72 11.10 34.36 43.66 2.04 0.12 0.40 0.61 51 G C T 51.67 3.98 18.46 23.04 98.82 -120.85 73.47 9.87 91.17 1.20 7.64 26.65 18.39 46.76 4.62 2.48 0.00 0.65 0.45 52 F C C 90.80 11.20 13.02 24.70 114.22 110.06 -95.74 121.79 86.81 5.11 8.08 55.81 21.51 9.62 4.20 3.88 0.00 2.83 2.15 53 R C C 144.46 4.89 17.05 23.16 110.84 -148.48 -93.70 111.04 86.44 7.22 6.34 74.74 6.92 4.71 2.99 3.15 0.00 5.07 2.42 54 L C C 60.92 14.99 11.51 26.07 111.04 -155.03 -87.56 121.09 83.25 8.01 8.74 63.17 12.13 7.60 3.68 5.17 0.00 5.09 3.17 55 H C C 111.60 6.47 14.42 22.03 110.28 -145.61 -91.53 111.00 84.38 6.59 9.03 57.20 15.02 11.91 3.13 6.00 0.00 3.82 2.91 56 R C T 155.79 4.32 12.91 18.88 107.74 -114.87 -78.80 97.57 85.22 4.20 10.58 30.18 23.54 32.49 2.48 7.37 0.01 2.20 1.74 57 G C C 48.45 4.40 13.24 18.84 106.61 16.55 86.03 -0.47 89.57 2.41 8.01 36.14 23.54 29.98 1.29 6.79 0.00 1.15 1.11 58 M C T 103.77 7.65 10.87 19.67 104.45 96.67 -84.39 28.96 91.22 2.10 6.68 29.49 30.00 31.57 0.89 6.03 0.00 1.01 1.00 59 N C C 122.39 2.66 15.49 19.05 101.01 -128.76 -84.24 28.56 95.05 2.15 2.79 37.09 30.97 26.67 0.31 3.01 0.00 1.16 0.80 60 V C C 58.20 10.30 13.75 25.40 117.27 124.12 -100.74 130.90 96.78 2.97 0.25 67.37 29.02 0.75 0.07 0.18 0.00 1.47 1.14 61 P C C 68.08 8.09 19.37 28.03 114.13 -119.16 -71.45 145.54 96.08 3.72 0.20 87.01 8.14 0.99 0.05 0.18 0.00 2.33 1.30 62 F C C 25.98 22.46 12.34 34.25 115.33 -129.63 -90.16 132.82 82.32 17.22 0.46 78.72 2.90 0.74 0.10 0.38 0.00 14.22 2.94 63 K C S 111.07 6.07 22.52 29.17 99.26 -172.15 -90.08 -29.80 78.74 21.00 0.25 36.03 41.82 1.41 0.02 0.25 0.00 19.81 0.66 64 R E E 91.12 9.77 22.87 33.07 135.48 6.42 -147.10 145.03 22.10 77.58 0.32 14.71 7.20 1.09 0.03 0.33 0.00 76.22 0.42 65 L E E 13.34 23.84 16.82 40.74 126.89 -170.08 -131.63 135.97 4.27 95.71 0.02 3.90 0.28 0.02 0.00 0.01 0.00 95.70 0.08 66 S E E 30.57 11.93 24.68 37.17 125.40 -168.91 -123.97 137.92 0.63 99.37 0.00 0.59 0.02 0.00 0.00 0.00 0.00 99.38 0.01 67 V E E 18.54 20.59 18.27 38.83 126.95 -171.84 -128.83 136.81 0.16 99.84 0.00 0.14 0.00 0.00 0.00 0.00 0.00 99.85 0.00 68 V E E 64.28 9.49 20.78 31.03 119.33 -160.28 -115.22 125.83 0.97 99.03 0.00 0.83 0.04 0.00 0.00 0.00 0.00 99.10 0.03 69 F E E 64.26 13.62 14.13 28.17 113.20 -176.47 -123.98 104.12 30.60 69.37 0.04 27.67 1.51 0.15 0.01 0.03 0.00 70.37 0.27 70 G C T 54.07 1.69 17.43 18.94 107.61 -59.15 62.20 -118.31 99.41 0.37 0.22 0.74 37.97 60.81 0.01 0.19 0.00 0.25 0.04 71 E C T 134.58 4.09 16.10 21.16 97.41 -11.29 -96.00 -1.80 99.42 0.38 0.20 0.59 41.20 57.74 0.01 0.15 0.00 0.28 0.03 72 H E E 46.97 14.38 15.00 30.09 129.84 78.58 -119.88 150.53 13.52 86.47 0.01 10.41 2.51 0.13 0.00 0.01 0.00 86.75 0.18 73 T E E 25.51 14.25 20.10 35.37 123.92 -158.02 -118.61 136.01 0.42 99.58 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.62 0.01 74 L E E 10.34 21.49 21.53 43.09 121.37 -163.61 -113.99 133.48 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 75 L E E 20.86 16.56 26.78 43.33 118.50 -162.20 -112.27 128.51 0.07 99.93 0.00 0.06 0.00 0.00 0.00 0.00 0.00 99.94 0.00 76 V E E 4.23 24.85 22.84 47.59 121.86 -168.25 -115.89 130.68 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 77 T E E 15.23 16.27 26.30 42.76 132.04 -177.02 -130.64 149.65 0.11 99.89 0.00 0.10 0.00 0.00 0.00 0.00 0.00 99.90 0.00 78 V E E 18.87 20.10 19.40 39.53 119.88 -146.16 -113.00 128.99 0.90 99.09 0.00 0.72 0.06 0.01 0.00 0.00 0.00 99.17 0.03 79 S E E 39.17 10.88 19.90 31.25 116.31 177.34 -129.33 111.19 17.58 82.32 0.11 14.20 2.49 0.54 0.02 0.09 0.00 82.30 0.36 80 G C T 45.76 5.12 19.04 24.73 106.03 -47.61 60.69 -117.29 99.28 0.44 0.28 1.01 21.40 76.94 0.01 0.27 0.00 0.31 0.06 81 Q C T 120.04 6.22 17.43 24.55 97.68 -20.80 -96.06 1.60 99.56 0.26 0.18 0.78 22.67 76.15 0.01 0.18 0.00 0.17 0.03 82 R E E 97.33 8.73 20.31 30.10 127.21 89.60 -114.15 144.46 9.29 90.69 0.01 6.76 1.97 0.11 0.00 0.01 0.00 90.96 0.18 83 V E E 16.54 21.88 17.20 39.29 119.53 -151.35 -110.91 127.69 0.40 99.60 0.00 0.35 0.01 0.00 0.00 0.00 0.00 99.63 0.01 84 F E E 35.03 14.43 24.94 39.73 124.46 -168.23 -117.21 137.76 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 85 V E E 20.89 20.45 21.50 41.52 119.24 -160.12 -111.57 127.69 0.04 99.96 0.00 0.04 0.00 0.00 0.00 0.00 0.00 99.96 0.00 86 V E E 24.61 15.55 21.71 37.73 126.93 -172.60 -124.67 141.88 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 87 K E E 82.41 12.32 20.79 33.05 117.01 -136.66 -91.69 132.60 0.99 99.01 0.00 0.85 0.04 0.00 0.00 0.00 0.00 99.10 0.01 88 R E E 68.26 15.13 15.57 30.69 124.33 -169.35 -119.10 139.44 14.70 85.28 0.02 13.61 0.76 0.05 0.00 0.01 0.00 85.20 0.36 89 Q E E 103.16 5.64 17.89 24.51 115.36 -136.59 -93.18 131.97 47.54 52.21 0.25 39.58 6.43 0.94 0.05 0.23 0.00 51.47 1.31 90 N C C 76.27 11.59 10.79 22.73 110.37 -138.67 -88.77 111.43 88.13 10.81 1.07 58.02 23.83 6.37 0.18 1.08 0.00 9.02 1.50 91 R C C 163.59 2.65 13.77 17.59 106.88 147.56 -97.39 40.40 93.97 4.36 1.67 43.82 33.25 17.08 0.22 1.74 0.00 2.69 1.21 92 G C C 47.94 4.36 12.31 18.16 115.72 -78.70 93.50 171.17 97.09 1.69 1.22 46.57 30.85 19.47 0.12 1.46 0.00 1.00 0.52 93 R C C 154.10 4.36 12.09 18.32 116.65 -104.88 -97.64 138.32 95.26 3.70 1.04 70.10 19.79 5.05 0.17 1.12 0.00 2.06 1.71 94 E C C 114.06 5.58 11.91 19.25 117.45 -133.01 -91.10 139.20 96.84 2.96 0.20 80.13 16.10 0.76 0.05 0.16 0.00 1.77 1.04 95 P C C 84.32 6.96 11.25 19.64 108.79 -105.63 -67.40 142.24 94.09 4.51 1.40 67.91 18.41 7.64 0.22 1.46 0.00 3.12 1.24 96 I C C 93.00 7.15 9.81 18.47 116.82 -142.58 -98.60 134.31 84.84 12.79 2.36 53.58 21.58 9.64 0.46 2.21 0.00 8.93 3.59 97 D C C 118.73 1.86 13.34 16.30 109.99 -124.31 -85.86 117.92 84.46 13.81 1.73 75.89 4.18 4.14 0.37 1.37 0.00 10.94 3.10 98 V C C 74.87 11.01 10.09 21.32 110.02 -175.39 -101.46 93.13 99.58 0.41 0.01 99.54 0.13 0.04 0.00 0.00 0.00 0.25 0.03