# 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 100.04 6.70 12.08 19.96 108.43 124.11 -84.96 130.12 99.81 0.06 0.13 99.65 0.12 0.10 0.09 0.01 0.00 0.02 0.01 1 N C C 97.13 3.45 12.28 16.73 104.41 -96.48 -76.72 10.64 74.15 0.33 25.52 69.80 0.87 2.88 25.48 0.69 0.00 0.11 0.17 2 Q H H 105.95 6.17 11.19 18.63 94.68 87.97 -65.76 -35.15 18.14 0.17 81.69 9.96 2.89 5.70 79.12 2.19 0.00 0.07 0.08 3 E H H 113.54 3.12 13.88 18.01 93.04 54.48 -65.49 -38.39 9.16 0.10 90.73 4.21 1.39 3.77 87.79 2.75 0.00 0.05 0.04 4 R H H 117.61 4.39 15.67 21.08 92.66 51.90 -65.94 -39.38 5.40 0.10 94.50 2.56 0.81 2.28 90.99 3.26 0.01 0.06 0.03 5 V H H 40.42 12.76 14.56 28.03 92.23 51.78 -64.87 -41.13 3.81 0.09 96.10 1.55 0.54 1.88 93.28 2.65 0.01 0.06 0.02 6 F H H 77.43 10.92 16.93 28.42 92.06 52.14 -64.87 -38.71 3.51 0.13 96.36 1.30 0.48 1.88 93.18 3.02 0.01 0.09 0.03 7 K H H 112.76 4.92 20.70 26.30 92.02 53.88 -65.19 -37.72 5.45 0.24 94.31 1.33 0.64 3.56 89.50 4.70 0.03 0.19 0.05 8 V H H 40.88 13.89 18.87 32.95 93.31 49.88 -68.20 -37.67 9.25 0.73 90.02 1.51 1.13 6.80 84.87 4.82 0.13 0.59 0.15 9 L H H 33.62 19.21 18.56 37.09 94.88 52.18 -76.27 -19.80 15.56 9.71 74.73 3.13 2.50 10.90 71.30 3.48 0.41 6.50 1.78 10 L C H 67.45 12.91 20.96 33.34 102.63 68.56 -89.17 36.66 36.35 32.58 31.06 16.59 8.99 12.14 30.07 2.51 0.70 20.17 8.83 11 G C C 22.34 13.40 18.92 32.18 127.58 116.93 -103.45 161.48 77.47 22.09 0.44 44.12 32.57 1.20 0.24 0.20 0.00 20.30 1.37 12 P C C 56.51 12.68 19.20 31.68 114.08 -86.82 -68.30 149.17 73.45 25.99 0.56 59.89 11.59 1.28 0.25 0.32 0.00 23.20 3.48 13 H C C 82.25 13.78 18.64 32.02 113.44 -135.48 -93.21 125.88 54.43 44.97 0.60 44.74 7.32 0.91 0.39 0.34 0.00 32.73 13.58 14 I C C 49.93 17.30 14.62 31.37 120.34 -157.87 -110.75 131.30 73.05 26.57 0.38 65.97 5.95 0.50 0.24 0.19 0.00 20.24 6.90 15 S C C 41.51 7.63 16.81 25.61 125.71 -151.66 -91.29 171.72 93.95 5.50 0.55 87.91 6.13 0.34 0.47 0.13 0.00 3.77 1.26 16 E H H 147.01 2.06 15.89 18.77 91.09 -96.75 -59.75 -36.84 12.13 0.13 87.74 1.78 2.75 8.13 83.67 3.46 0.08 0.06 0.07 17 K H H 133.12 2.35 18.05 20.58 91.72 52.87 -64.64 -39.34 11.13 0.16 88.71 1.61 1.56 8.26 83.80 4.53 0.08 0.09 0.06 18 A H H 12.13 18.85 12.48 31.17 92.35 49.63 -66.49 -39.31 7.74 0.27 91.99 2.47 1.32 4.45 85.84 5.63 0.04 0.18 0.07 19 T H H 53.83 11.47 16.26 28.13 92.08 54.30 -63.58 -40.37 7.00 0.31 92.70 2.59 1.25 3.60 88.22 4.03 0.04 0.20 0.08 20 G H H 43.42 1.80 20.57 20.74 92.40 51.34 -64.53 -39.95 13.01 0.53 86.46 3.18 1.97 8.41 81.50 4.29 0.12 0.35 0.17 21 L H H 59.45 8.12 16.28 25.72 92.87 50.00 -68.31 -37.59 15.90 0.85 83.25 4.66 2.92 9.46 77.80 4.19 0.16 0.52 0.29 22 A H H 22.58 17.02 11.21 27.72 93.42 56.41 -67.00 -36.73 22.95 1.13 75.92 8.59 4.24 11.81 69.29 4.83 0.13 0.67 0.44 23 D H H 114.45 2.16 16.33 18.94 95.76 51.27 -69.55 -23.01 32.45 0.73 66.83 5.97 4.72 22.67 59.12 6.54 0.22 0.41 0.35 24 G H H 57.96 1.40 15.65 16.52 98.04 44.81 -76.38 -19.65 45.65 0.62 53.73 5.58 7.50 32.81 46.57 6.63 0.22 0.30 0.38 25 K C T 118.39 5.78 14.40 21.07 102.94 37.72 -99.66 12.79 75.95 0.71 23.34 9.81 20.43 45.49 18.55 4.82 0.05 0.31 0.55 26 S C T 64.85 8.21 16.45 25.56 96.83 -122.27 46.91 39.16 98.07 1.12 0.81 20.49 21.27 56.37 0.15 0.63 0.00 0.95 0.14 27 Q E E 47.67 14.11 17.17 31.77 127.22 124.47 -115.59 147.38 45.42 54.47 0.11 39.38 4.59 0.35 0.02 0.09 0.00 54.76 0.81 28 F E E 26.32 18.07 20.35 38.54 120.94 -145.62 -107.57 135.13 5.55 94.44 0.02 5.42 0.18 0.01 0.01 0.01 0.00 94.14 0.22 29 V E E 27.68 15.70 23.83 39.67 120.89 -157.12 -112.31 130.71 2.76 97.24 0.00 2.72 0.04 0.00 0.00 0.00 0.00 97.21 0.03 30 F E E 10.53 22.91 20.71 43.38 127.40 -174.02 -125.22 141.13 0.61 99.39 0.00 0.55 0.02 0.00 0.00 0.00 0.00 99.42 0.01 31 K E E 71.47 11.70 26.65 38.63 116.01 -141.76 -100.41 127.82 0.26 99.74 0.00 0.25 0.00 0.00 0.00 0.00 0.00 99.74 0.01 32 V E E 5.87 24.38 16.47 41.10 130.53 -176.25 -128.24 150.17 2.57 97.43 0.00 2.63 0.04 0.00 0.00 0.00 0.00 97.07 0.27 33 A C C 26.57 9.93 21.38 32.74 113.37 -101.48 -67.26 141.34 67.40 32.55 0.05 67.34 0.71 0.10 0.01 0.06 0.00 31.19 0.60 34 T C T 70.10 12.40 16.30 29.11 91.39 -124.58 -62.65 -25.24 98.77 0.70 0.52 0.54 4.07 94.38 0.02 0.48 0.00 0.43 0.08 35 D C T 111.65 1.78 21.38 22.51 93.42 58.70 -89.24 0.74 99.32 0.23 0.45 0.59 3.39 95.36 0.01 0.48 0.00 0.15 0.02 36 A C C 8.89 21.67 9.47 30.89 116.53 123.28 -69.37 141.51 98.93 0.98 0.09 83.71 15.20 0.15 0.02 0.05 0.00 0.42 0.45 37 T C C 64.47 3.48 24.28 26.68 125.23 -137.78 -93.13 165.39 89.88 9.99 0.13 89.69 0.66 0.02 0.10 0.01 0.00 1.23 8.28 38 K H H 88.62 15.22 14.67 29.45 90.95 -104.60 -57.84 -39.06 0.76 0.00 99.24 0.09 0.08 0.44 99.31 0.08 0.00 0.00 0.00 39 L H H 103.11 2.36 22.11 23.59 91.37 52.26 -63.74 -40.67 0.28 0.00 99.72 0.02 0.02 0.18 99.71 0.06 0.00 0.00 0.00 40 E H H 62.84 9.68 20.50 30.88 91.77 49.10 -65.32 -40.72 0.08 0.00 99.92 0.01 0.00 0.05 99.89 0.05 0.00 0.00 0.00 41 I H H 1.76 27.07 15.61 43.60 91.13 49.66 -63.41 -43.77 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.01 0.00 0.00 0.00 42 K H H 76.85 14.20 21.95 35.11 91.29 51.30 -61.93 -42.12 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 43 K H H 117.35 2.49 26.31 27.84 91.74 49.96 -64.60 -41.67 0.06 0.00 99.94 0.00 0.00 0.05 99.95 0.00 0.00 0.00 0.00 44 A H H 9.73 15.93 21.01 37.70 91.75 49.99 -64.19 -43.35 0.06 0.00 99.94 0.00 0.00 0.04 99.95 0.00 0.00 0.00 0.00 45 V H H 1.82 26.62 17.37 44.60 91.80 48.49 -64.38 -43.04 0.07 0.00 99.93 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 46 E H H 74.50 10.97 19.78 30.94 91.87 51.06 -63.80 -40.84 0.07 0.00 99.93 0.00 0.00 0.05 99.91 0.03 0.00 0.00 0.00 47 S H H 69.82 3.36 22.12 25.12 92.44 49.78 -66.51 -38.82 0.25 0.00 99.75 0.01 0.00 0.24 99.66 0.08 0.00 0.00 0.00 48 L H H 40.41 16.03 17.48 33.11 96.38 41.78 -78.75 -38.08 1.29 0.00 98.70 0.02 0.03 1.27 98.58 0.10 0.00 0.00 0.00 49 F H H 28.08 19.20 14.79 33.78 105.20 24.56 -112.63 0.09 14.66 0.04 85.30 0.71 1.62 11.76 85.56 0.28 0.02 0.01 0.03 50 S C T 86.36 2.39 21.65 23.94 95.13 -124.58 55.27 43.34 99.74 0.09 0.17 22.12 11.47 66.20 0.07 0.06 0.00 0.05 0.02 51 V C C 19.09 19.73 11.51 31.23 128.88 135.06 -120.16 148.98 94.42 5.54 0.03 77.91 16.37 0.23 0.01 0.02 0.00 5.10 0.36 52 K C C 125.35 3.06 24.40 27.16 113.50 -129.75 -92.71 127.01 87.53 12.45 0.01 87.16 0.76 0.05 0.00 0.01 0.00 11.79 0.23 53 V E E 18.85 23.42 10.12 32.78 113.23 -146.52 -90.28 123.57 25.14 74.83 0.03 26.44 0.23 0.02 0.01 0.02 0.00 72.25 1.03 54 Q E E 107.27 3.19 21.17 24.51 98.72 -175.41 -87.87 -35.18 26.61 73.37 0.03 13.32 13.42 0.31 0.00 0.02 0.00 72.78 0.14 55 R E E 113.36 3.97 23.29 27.89 138.83 -1.02 -154.03 152.11 5.05 94.94 0.01 3.34 1.21 0.08 0.00 0.01 0.00 95.33 0.03 56 V E E 29.95 23.14 11.60 33.60 124.99 -162.23 -129.21 130.98 1.56 98.44 0.00 1.38 0.05 0.00 0.00 0.00 0.00 98.56 0.01 57 T E E 58.17 5.72 24.37 30.33 128.51 -175.16 -129.66 143.48 0.85 99.15 0.00 0.72 0.03 0.00 0.00 0.00 0.00 99.24 0.01 58 T E E 44.80 18.74 13.60 31.46 124.06 -157.68 -117.97 133.91 0.65 99.35 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 59 L E E 66.08 7.68 19.29 28.19 124.51 -170.57 -123.09 137.93 0.64 99.36 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.39 0.02 60 N E E 81.07 9.92 15.46 26.49 115.91 -143.68 -99.36 125.64 2.60 97.39 0.00 2.19 0.18 0.01 0.00 0.00 0.00 97.58 0.05 61 V E E 51.35 10.55 13.63 25.79 121.98 -171.30 -116.32 134.20 14.52 85.45 0.03 13.68 0.64 0.05 0.01 0.01 0.00 85.10 0.51 62 K E E 142.98 2.78 16.60 20.45 112.58 -124.91 -81.35 134.16 42.04 57.84 0.12 35.77 4.41 0.61 0.02 0.09 0.00 58.58 0.50 63 G E E 29.05 12.10 9.93 22.12 126.16 -138.60 -95.05 164.77 45.06 54.82 0.12 36.62 6.96 0.88 0.02 0.11 0.00 54.79 0.62 64 K E E 125.72 3.12 15.47 19.64 122.63 -97.32 -108.46 147.89 19.38 80.54 0.08 17.93 1.21 0.15 0.03 0.04 0.00 79.75 0.89 65 T E E 85.48 6.68 10.25 18.79 118.23 -131.83 -97.38 134.06 9.72 90.23 0.04 9.21 0.45 0.05 0.01 0.02 0.00 89.76 0.48 66 K E E 107.56 4.36 11.05 17.52 124.65 -173.89 -124.06 142.86 6.41 93.54 0.05 5.58 0.57 0.08 0.01 0.02 0.00 93.52 0.22 67 R E E 175.14 1.86 9.36 13.06 115.05 -132.72 -91.76 127.71 11.85 88.09 0.06 10.25 1.09 0.15 0.02 0.03 0.00 87.98 0.47 68 T E E 66.36 4.00 7.68 13.85 128.96 175.17 -124.62 168.70 41.76 58.06 0.18 37.44 2.58 0.50 0.04 0.13 0.00 58.51 0.80 69 A C T 106.70 0.29 9.08 8.21 93.32 -88.36 -61.87 -29.21 98.64 0.77 0.59 8.18 30.28 60.19 0.06 0.55 0.00 0.63 0.11 70 R C T 195.17 0.52 8.62 8.73 98.93 40.02 -95.83 0.17 98.77 0.64 0.59 7.79 28.52 62.44 0.05 0.59 0.00 0.50 0.10 71 G E E 37.87 2.07 12.17 15.26 134.90 -70.41 139.71 -176.63 34.17 65.68 0.16 24.24 9.86 1.30 0.03 0.15 0.00 63.48 0.94 72 L E E 118.77 3.57 9.57 15.25 120.27 -53.81 -99.67 141.85 15.83 84.13 0.03 13.89 1.07 0.13 0.01 0.02 0.00 84.56 0.32 73 G E E 30.94 5.27 12.45 19.65 136.16 164.55 -152.80 174.75 5.94 94.04 0.02 4.85 0.68 0.08 0.00 0.01 0.00 94.25 0.13 74 K E E 129.15 4.98 12.91 20.08 122.78 -99.84 -110.07 144.29 4.43 95.56 0.01 3.98 0.29 0.02 0.01 0.01 0.00 94.90 0.80 75 R E E 92.11 10.33 11.21 22.66 123.50 -158.79 -113.27 146.02 37.82 62.12 0.06 36.18 1.22 0.12 0.01 0.04 0.00 61.56 0.86 76 N C C 98.78 4.46 15.76 21.40 112.09 -113.99 -79.13 143.34 69.36 30.53 0.12 48.95 15.94 2.36 0.01 0.14 0.00 32.18 0.42 77 D C C 75.47 8.84 15.09 24.60 104.39 -102.40 -85.67 101.89 68.67 31.21 0.12 42.81 20.88 2.74 0.01 0.15 0.00 33.01 0.39 78 W E E 70.84 12.55 15.65 29.23 126.23 144.28 -113.46 147.65 21.59 78.40 0.01 19.60 1.44 0.05 0.00 0.01 0.00 78.33 0.57 79 K E E 45.57 14.96 18.19 33.63 124.25 -150.19 -113.42 140.56 3.93 96.07 0.00 3.60 0.12 0.00 0.00 0.00 0.00 96.18 0.09 80 K E E 58.26 13.94 21.74 35.62 127.21 -158.64 -121.63 142.03 0.76 99.24 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.01 81 A E E 7.19 21.12 18.57 40.24 126.06 -166.62 -123.67 140.72 0.30 99.70 0.00 0.28 0.00 0.00 0.00 0.00 0.00 99.71 0.00 82 Y E E 59.74 12.15 24.65 37.36 118.84 -151.96 -108.53 128.57 0.18 99.82 0.00 0.17 0.00 0.00 0.00 0.00 0.00 99.83 0.00 83 I E E 8.71 23.21 18.98 42.56 121.86 -168.05 -117.51 132.16 0.43 99.57 0.00 0.42 0.00 0.00 0.00 0.00 0.00 99.58 0.00 84 A E E 32.86 10.75 26.01 37.22 120.19 -159.72 -108.18 134.54 1.13 98.87 0.00 1.12 0.01 0.00 0.00 0.00 0.00 98.82 0.04 85 L E E 11.88 22.70 13.57 36.29 121.59 -154.17 -100.85 142.56 10.30 89.69 0.00 10.35 0.17 0.00 0.00 0.00 0.00 87.64 1.84 86 Q C C 83.09 5.70 20.00 26.20 118.11 -114.54 -74.73 153.40 96.28 3.69 0.03 95.51 0.93 0.08 0.00 0.02 0.00 3.24 0.21 87 P C T 99.35 4.98 14.85 21.62 110.07 -84.03 -60.13 137.40 98.20 1.18 0.61 1.04 5.49 91.93 0.03 0.55 0.00 0.78 0.18 88 G C T 60.38 1.33 16.37 17.26 97.39 22.62 86.08 -4.45 98.16 1.30 0.55 2.40 5.07 90.79 0.02 0.57 0.00 1.04 0.11 89 Q C C 66.30 12.77 11.11 24.34 117.35 127.53 -84.16 141.31 87.11 12.51 0.38 82.05 4.46 0.53 0.07 0.34 0.00 11.13 1.43 90 D C C 100.23 3.97 18.96 24.39 118.87 -152.78 -107.13 132.29 65.87 33.79 0.33 65.04 1.15 0.37 0.12 0.18 0.00 23.75 9.38 91 L C C 30.89 20.83 11.16 31.10 119.85 -160.59 -111.26 131.66 81.63 17.90 0.47 79.09 1.78 0.64 0.13 0.27 0.00 16.48 1.63 92 D C C 86.42 4.90 20.49 26.02 110.31 -150.75 -98.08 112.34 88.43 10.66 0.91 80.61 5.52 1.93 0.24 0.62 0.00 9.87 1.21 93 F C C 73.50 15.87 12.34 27.61 100.35 176.59 -90.49 -3.64 88.89 5.62 5.49 71.59 10.90 6.51 1.78 3.61 0.00 4.15 1.47 94 A C C 62.66 6.65 14.38 22.27 101.55 91.52 -74.53 -9.13 85.96 4.94 9.10 58.78 14.51 12.91 2.67 6.31 0.00 3.41 1.41 95 T C C 86.32 5.25 12.32 18.94 108.00 58.84 -90.47 75.03 83.38 5.36 11.26 47.15 19.60 17.27 2.78 8.13 0.00 3.46 1.61 96 S C C 63.13 7.76 9.90 18.70 109.47 87.59 -88.59 109.33 83.93 5.89 10.18 52.19 18.04 14.12 2.63 7.39 0.00 3.94 1.70 97 A C C 75.96 4.18 9.42 15.45 109.97 -150.91 -85.23 126.56 90.98 4.11 4.91 83.05 2.15 6.71 1.58 2.37 0.00 2.84 1.30 98 E C C 138.02 3.16 11.76 16.70 109.94 -122.79 -86.00 123.40 99.77 0.19 0.04 99.66 0.12 0.07 0.02 0.00 0.00 0.11 0.02