# 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 107.45 5.04 12.40 18.71 108.92 -156.82 -84.38 114.73 99.70 0.10 0.20 99.55 0.12 0.11 0.14 0.01 0.00 0.04 0.02 1 I C C 99.90 4.11 10.66 16.27 103.24 72.91 -77.49 -24.91 63.83 0.95 35.22 59.17 1.18 3.44 34.22 1.21 0.00 0.40 0.37 2 R H H 141.14 3.34 12.35 16.75 96.39 59.77 -67.38 -39.51 36.19 0.52 63.29 27.71 4.07 4.77 61.07 1.96 0.00 0.23 0.19 3 E H H 101.58 6.07 12.55 19.92 93.76 54.59 -65.85 -39.22 16.35 0.28 83.37 10.43 2.39 4.23 79.95 2.76 0.00 0.14 0.09 4 E H H 104.62 3.70 14.73 19.39 92.43 51.58 -65.63 -39.42 8.66 0.17 91.17 4.67 1.36 3.08 87.67 3.07 0.01 0.10 0.05 5 R H H 116.31 4.55 16.18 21.70 92.36 51.35 -65.64 -39.97 6.24 0.14 93.62 2.87 0.97 2.76 90.07 3.19 0.01 0.09 0.04 6 L H H 47.46 12.06 14.95 27.88 92.28 51.40 -65.39 -40.35 4.98 0.15 94.86 1.90 0.69 2.61 90.83 3.81 0.01 0.11 0.04 7 L H H 61.21 10.29 16.62 27.78 92.03 52.56 -65.23 -37.62 5.61 0.37 94.03 1.88 0.76 3.10 88.39 5.48 0.02 0.29 0.08 8 K H H 112.90 4.59 20.35 25.40 92.16 54.35 -65.73 -35.24 11.35 0.97 87.68 2.52 1.45 7.51 80.06 7.39 0.09 0.76 0.20 9 V H H 43.43 13.21 17.97 31.50 93.64 51.94 -69.16 -32.73 16.90 2.57 80.52 3.20 2.40 11.74 72.78 6.90 0.32 2.14 0.51 10 L H H 37.54 18.50 16.99 34.98 97.25 55.31 -81.92 -9.59 22.23 24.96 52.80 7.53 4.61 11.67 48.47 4.60 0.54 18.32 4.26 11 R E E 114.41 10.22 20.05 30.16 104.02 77.68 -86.43 11.06 36.96 49.39 13.64 22.01 8.78 6.66 13.34 2.51 0.31 36.50 9.90 12 A C C 44.87 11.37 18.16 30.00 124.88 101.63 -109.44 140.58 65.38 33.87 0.75 43.57 21.51 1.02 0.48 0.32 0.00 31.01 2.09 13 P C C 59.34 12.57 17.13 29.78 114.72 -104.47 -67.03 148.40 69.60 29.31 1.09 61.00 6.36 1.30 0.54 0.53 0.00 27.82 2.45 14 H C C 90.27 11.79 17.55 29.54 109.58 -125.80 -85.66 120.05 74.11 24.26 1.63 59.09 11.61 2.20 0.90 0.92 0.01 16.42 8.85 15 V C C 53.32 15.56 12.75 27.97 120.90 74.67 -106.86 132.81 86.64 11.84 1.52 70.15 14.79 1.82 0.97 0.64 0.00 7.49 4.15 16 S C C 48.17 5.80 15.41 22.42 126.42 -152.81 -93.75 171.99 95.00 3.02 1.97 78.96 15.06 1.04 1.86 0.37 0.00 1.45 1.26 17 E H H 152.90 1.45 14.66 16.56 91.45 -97.28 -59.51 -36.92 15.10 0.15 84.75 2.61 4.66 8.83 81.71 2.00 0.07 0.05 0.08 18 K H H 133.96 2.28 16.77 19.26 91.99 51.85 -65.44 -39.35 13.46 0.13 86.41 2.11 2.34 9.60 83.30 2.45 0.08 0.06 0.07 19 A H H 15.91 16.48 12.20 28.94 92.54 49.82 -66.20 -40.06 9.08 0.22 90.70 3.27 1.68 4.79 87.41 2.61 0.03 0.12 0.08 20 S H H 42.82 8.76 16.14 26.10 92.31 52.97 -63.52 -41.21 6.07 0.20 93.73 2.90 1.07 2.48 91.89 1.49 0.01 0.11 0.06 21 T H H 76.04 1.85 20.33 20.53 92.16 50.09 -64.70 -40.98 6.13 0.27 93.60 2.49 1.05 3.00 91.94 1.27 0.02 0.16 0.07 22 A H H 28.62 8.06 15.59 25.72 92.29 50.94 -65.11 -40.75 5.23 0.26 94.51 2.04 0.91 2.64 92.88 1.28 0.03 0.15 0.07 23 M H H 45.18 15.45 12.28 27.66 92.79 51.51 -65.24 -40.41 5.21 0.22 94.57 1.95 0.82 2.73 92.70 1.59 0.02 0.13 0.06 24 E H H 133.86 2.53 16.54 19.69 92.98 49.48 -67.04 -38.08 6.74 0.12 93.14 1.53 0.80 4.48 91.30 1.75 0.03 0.07 0.04 25 K H H 154.23 1.09 16.52 16.39 95.25 43.54 -74.11 -34.11 12.45 0.11 87.44 1.46 1.47 9.61 85.84 1.47 0.05 0.04 0.05 26 S H H 55.57 6.74 14.39 22.30 101.56 27.41 -105.24 -2.87 32.38 0.17 67.45 3.83 5.81 22.39 66.51 1.22 0.06 0.05 0.12 27 N C T 92.32 7.53 17.13 25.91 94.62 -122.68 57.05 40.12 99.05 0.56 0.39 27.46 11.75 59.96 0.11 0.20 0.00 0.46 0.07 28 T E E 24.97 14.81 17.84 33.49 127.84 134.45 -116.39 149.97 45.77 54.20 0.03 40.43 3.85 0.13 0.01 0.02 0.00 55.05 0.51 29 I E E 16.03 19.45 21.08 40.75 116.19 -131.29 -97.78 128.61 7.48 92.51 0.01 7.60 0.15 0.01 0.00 0.00 0.00 92.07 0.16 30 V E E 23.85 16.10 24.73 40.99 118.68 -158.35 -108.68 128.16 2.78 97.22 0.00 2.84 0.03 0.00 0.00 0.00 0.00 97.09 0.04 31 L E E 6.47 23.80 20.70 44.47 123.02 -168.73 -115.88 133.48 0.64 99.36 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.39 0.01 32 K E E 69.93 11.75 27.03 39.08 115.90 -148.01 -101.38 125.85 0.32 99.68 0.00 0.31 0.01 0.00 0.00 0.00 0.00 99.67 0.01 33 V E E 5.70 24.21 16.83 41.30 132.68 177.35 -130.26 151.35 1.86 98.14 0.00 1.90 0.03 0.00 0.00 0.00 0.00 97.92 0.15 34 A E E 24.79 10.31 21.23 32.99 113.31 -102.04 -67.30 142.31 38.24 61.72 0.04 37.93 0.74 0.10 0.01 0.03 0.00 60.44 0.74 35 K C T 104.88 12.01 16.23 28.68 91.40 -125.25 -62.69 -28.02 98.55 0.95 0.50 0.65 4.76 93.41 0.02 0.44 0.00 0.62 0.10 36 D C T 114.47 1.52 21.20 21.69 93.78 57.02 -88.60 0.60 99.36 0.28 0.36 0.68 4.15 94.57 0.01 0.38 0.00 0.19 0.03 37 A C C 10.01 21.43 9.20 30.18 116.34 124.51 -69.73 142.06 99.15 0.75 0.10 78.25 20.85 0.18 0.03 0.06 0.00 0.32 0.32 38 T C C 67.58 3.09 24.17 25.93 124.53 -137.45 -91.16 164.48 88.43 11.45 0.13 88.38 0.66 0.02 0.10 0.01 0.00 1.22 9.60 39 K H H 93.90 14.82 14.38 28.78 90.97 -105.82 -57.82 -38.67 0.73 0.00 99.27 0.09 0.08 0.41 99.32 0.09 0.00 0.00 0.00 40 A H H 70.54 2.24 21.72 23.08 91.47 53.07 -63.75 -40.51 0.24 0.00 99.76 0.02 0.02 0.16 99.73 0.07 0.00 0.00 0.00 41 E H H 76.98 8.91 20.79 30.14 91.88 48.88 -65.50 -40.64 0.06 0.00 99.94 0.01 0.00 0.04 99.90 0.05 0.00 0.00 0.00 42 I H H 2.10 26.76 15.22 42.78 91.08 49.32 -63.61 -43.77 0.03 0.00 99.97 0.00 0.00 0.01 99.97 0.01 0.00 0.00 0.00 43 K H H 80.56 13.61 22.05 34.73 91.24 51.01 -61.84 -42.15 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 44 A H H 52.82 2.86 25.44 27.32 91.48 50.21 -63.57 -42.40 0.04 0.00 99.96 0.00 0.00 0.03 99.97 0.00 0.00 0.00 0.00 45 A H H 10.33 15.50 20.81 37.18 91.49 50.11 -64.05 -42.80 0.04 0.00 99.96 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 46 V H H 2.10 26.34 16.72 43.64 91.40 49.31 -64.43 -42.82 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 47 Q H H 80.86 10.04 19.79 30.01 91.81 51.32 -63.43 -40.60 0.08 0.00 99.92 0.00 0.00 0.06 99.90 0.03 0.00 0.00 0.00 48 K H H 131.96 2.61 21.82 24.11 92.26 49.40 -66.44 -39.36 0.38 0.00 99.62 0.01 0.01 0.37 99.53 0.07 0.00 0.00 0.00 49 L H H 40.48 16.06 17.25 32.90 95.95 41.14 -77.77 -37.58 1.65 0.00 98.35 0.03 0.04 1.62 98.23 0.08 0.00 0.00 0.00 50 F H H 26.49 19.48 14.65 34.01 103.47 25.50 -110.23 -0.48 20.52 0.04 79.43 1.16 2.29 15.89 80.29 0.31 0.02 0.01 0.04 51 E C T 143.26 2.36 21.64 24.05 95.00 -124.82 54.86 44.79 99.60 0.12 0.28 21.40 12.19 66.10 0.13 0.08 0.00 0.08 0.03 52 V C C 18.57 19.51 11.69 31.25 129.62 135.28 -123.12 149.66 92.99 6.98 0.04 77.44 15.41 0.21 0.01 0.02 0.00 6.52 0.39 53 E C C 112.86 3.36 24.61 27.62 111.79 -124.61 -87.62 128.31 85.45 14.54 0.02 85.54 0.54 0.04 0.00 0.01 0.00 13.62 0.23 54 V E E 17.46 23.68 10.39 33.40 113.72 -146.88 -91.56 123.70 32.20 67.76 0.04 33.69 0.23 0.02 0.01 0.02 0.00 64.99 1.02 55 E E E 112.16 3.44 21.53 25.20 98.75 -172.58 -89.57 -34.49 32.53 67.44 0.04 15.86 16.73 0.34 0.00 0.03 0.00 66.86 0.17 56 V E E 68.35 5.34 23.02 29.03 138.48 0.87 -152.69 150.63 7.26 92.72 0.02 4.88 1.78 0.16 0.00 0.02 0.00 93.11 0.06 57 V E E 27.21 23.19 11.98 34.10 125.69 -167.08 -131.47 132.36 2.93 97.06 0.00 2.67 0.10 0.00 0.00 0.00 0.00 97.18 0.04 58 N E E 71.71 5.71 24.90 30.74 126.35 -174.47 -125.47 140.80 2.78 97.22 0.00 2.39 0.11 0.01 0.00 0.00 0.00 97.48 0.02 59 T E E 41.73 19.78 13.58 32.20 124.49 -157.61 -117.20 136.07 2.24 97.76 0.00 2.08 0.05 0.00 0.00 0.00 0.00 97.84 0.03 60 L E E 62.06 8.69 19.40 29.26 123.19 -167.03 -120.71 135.46 1.27 98.73 0.00 1.15 0.04 0.00 0.00 0.00 0.00 98.74 0.06 61 V E E 70.71 10.51 16.10 27.66 116.05 -144.46 -101.09 124.43 2.29 97.71 0.00 2.03 0.11 0.00 0.00 0.00 0.00 97.79 0.07 62 V E E 48.01 11.25 13.41 26.25 120.27 -168.48 -112.14 131.21 10.32 89.67 0.02 9.86 0.40 0.03 0.00 0.01 0.00 89.33 0.36 63 K E E 142.51 2.87 16.93 20.91 113.97 -132.11 -85.49 131.33 35.42 64.50 0.08 30.04 3.73 0.44 0.01 0.07 0.00 65.39 0.33 64 G E E 27.92 12.14 10.07 22.31 126.47 -135.70 -114.81 166.97 42.29 57.63 0.08 33.57 7.08 0.74 0.01 0.08 0.00 58.10 0.42 65 K E E 129.58 2.89 16.06 19.79 121.67 -97.99 -107.59 144.73 17.62 82.32 0.06 16.48 0.97 0.11 0.01 0.03 0.00 81.84 0.56 66 V E E 86.38 8.17 10.10 19.75 117.48 -131.10 -96.12 133.40 8.18 91.79 0.03 7.85 0.30 0.04 0.01 0.01 0.00 91.52 0.27 67 K E E 107.43 4.27 11.86 18.11 124.44 -171.99 -122.35 142.16 4.03 95.94 0.03 3.54 0.29 0.05 0.01 0.01 0.00 95.99 0.11 68 R E E 159.79 3.05 8.96 14.28 116.13 -135.72 -96.66 128.26 7.66 92.30 0.05 6.61 0.61 0.11 0.01 0.02 0.00 92.40 0.24 69 H E E 124.00 2.86 8.16 12.94 114.64 -176.48 -124.53 106.22 25.86 73.92 0.23 20.60 3.82 1.12 0.05 0.18 0.00 73.57 0.65 70 G C T 66.05 0.36 10.49 9.49 108.10 -49.41 62.82 -124.32 98.88 0.68 0.44 6.74 21.17 70.89 0.03 0.50 0.00 0.58 0.10 71 Q C T 165.78 0.37 9.16 8.62 97.39 -20.05 -90.68 -0.05 98.96 0.59 0.45 6.99 21.41 70.46 0.03 0.53 0.00 0.50 0.08 72 R E E 147.94 2.29 8.54 12.83 122.25 88.58 -106.76 142.06 22.62 77.26 0.11 16.22 6.50 0.94 0.02 0.10 0.00 75.13 1.08 73 I E E 117.74 3.61 8.94 14.80 119.15 -147.09 -103.77 135.27 10.92 89.06 0.02 9.20 0.93 0.11 0.00 0.01 0.00 89.50 0.24 74 G E E 32.82 4.76 12.17 18.69 135.50 151.98 -145.85 174.92 6.97 93.01 0.02 5.47 0.92 0.12 0.00 0.01 0.00 93.37 0.11 75 R E E 151.07 4.11 12.62 18.82 120.90 -92.95 -106.20 142.83 5.33 94.66 0.01 4.89 0.31 0.03 0.00 0.01 0.00 94.14 0.64 76 R E E 112.90 9.03 11.80 22.04 121.27 -153.06 -104.27 143.34 32.65 67.30 0.06 30.92 1.24 0.13 0.01 0.04 0.00 66.76 0.90 77 S C C 55.49 7.41 13.95 22.73 117.90 -121.22 -86.09 152.35 68.33 31.59 0.08 51.99 12.74 1.11 0.01 0.10 0.00 33.67 0.38 78 D C C 77.14 7.68 15.75 24.43 104.76 -129.40 -88.95 48.18 67.59 32.32 0.09 44.66 18.91 1.45 0.01 0.11 0.00 34.53 0.34 79 W E E 80.24 12.43 15.51 28.76 125.54 107.83 -115.47 145.85 19.85 80.14 0.02 18.15 1.12 0.05 0.00 0.01 0.00 80.16 0.49 80 K E E 47.51 14.72 17.81 33.08 126.99 -163.43 -121.39 141.20 2.83 97.17 0.00 2.54 0.11 0.00 0.00 0.00 0.00 97.25 0.09 81 K E E 65.40 12.79 22.04 34.86 123.77 -145.97 -110.04 138.64 1.13 98.86 0.00 1.03 0.03 0.00 0.00 0.00 0.00 98.92 0.02 82 A E E 6.59 21.92 17.71 40.12 124.40 -161.70 -116.24 139.33 1.26 98.73 0.00 1.25 0.02 0.00 0.00 0.00 0.00 98.72 0.02 83 Y E E 63.90 11.39 24.88 36.82 120.24 -157.12 -111.87 129.94 0.43 99.57 0.00 0.41 0.01 0.00 0.00 0.00 0.00 99.56 0.02 84 V E E 7.30 23.38 18.32 42.11 121.90 -167.63 -117.25 131.77 0.62 99.38 0.00 0.59 0.01 0.00 0.00 0.00 0.00 99.38 0.01 85 T E E 42.48 9.79 25.89 36.27 121.80 -161.37 -113.21 133.88 2.30 97.70 0.00 2.20 0.06 0.00 0.00 0.00 0.00 97.67 0.07 86 L E E 13.17 22.48 13.45 35.84 122.63 -157.48 -105.49 143.85 21.13 78.85 0.02 20.86 0.50 0.03 0.01 0.01 0.00 77.45 1.15 87 K C C 101.55 5.28 20.24 25.88 117.78 -120.76 -79.61 152.82 87.15 12.58 0.27 83.07 3.00 0.51 0.05 0.22 0.00 12.38 0.77 88 E C T 135.18 4.60 14.69 21.19 109.72 -86.53 -61.50 135.58 94.17 4.16 1.66 2.68 9.14 82.69 0.11 1.66 0.00 3.12 0.59 89 G C T 57.10 1.98 16.02 18.27 98.13 22.30 86.61 -3.83 95.16 3.39 1.45 5.27 8.15 81.44 0.07 1.82 0.00 3.01 0.24 90 Q C C 69.79 12.05 10.38 23.00 115.97 134.09 -78.05 139.24 84.14 14.43 1.44 77.07 5.56 1.23 0.22 1.33 0.00 13.08 1.51 91 N C C 110.55 3.36 16.60 21.36 113.96 -148.22 -100.30 123.82 58.87 40.57 0.56 55.45 1.86 0.63 0.27 0.30 0.00 25.80 15.70 92 L C C 55.95 16.59 8.74 24.16 104.67 -168.84 -91.09 24.82 89.43 10.30 0.27 88.88 0.67 0.51 0.10 0.10 0.00 8.56 1.18 93 D C C 113.05 2.41 17.02 20.10 102.76 -151.14 -76.22 77.15 99.87 0.12 0.01 99.73 0.12 0.06 0.00 0.00 0.00 0.08 0.01