# 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 109.18 7.15 14.11 22.42 119.21 -160.63 -101.42 136.16 99.78 0.20 0.01 99.73 0.10 0.03 0.01 0.00 0.00 0.11 0.02 1 A C C 59.73 8.19 10.86 20.28 116.79 -141.03 -88.60 141.77 86.92 9.14 3.94 82.38 1.32 3.89 1.50 1.52 0.00 7.35 2.05 2 S C C 74.52 4.22 13.08 18.83 113.24 -148.33 -92.68 130.24 81.73 12.35 5.92 56.92 14.96 9.75 1.68 4.26 0.00 9.90 2.52 3 L C C 82.83 11.26 10.40 21.83 109.97 -151.02 -90.13 110.15 80.32 11.45 8.24 50.06 19.36 11.54 2.01 6.00 0.01 8.87 2.15 4 S C C 73.18 4.44 15.32 21.00 109.55 94.42 -87.36 113.09 82.61 9.97 7.43 47.97 22.73 12.69 1.63 5.43 0.01 8.12 1.43 5 N C C 98.08 7.20 14.85 22.93 104.25 -37.04 -84.81 44.80 79.68 15.80 4.51 49.44 20.78 9.45 0.88 3.53 0.00 14.70 1.21 6 K C E 83.63 11.43 15.30 27.18 111.40 129.84 -98.73 106.12 50.76 47.57 1.67 39.48 8.48 2.77 0.40 1.24 0.00 46.38 1.25 7 A E E 40.43 14.50 15.71 30.01 125.69 150.44 -114.75 144.35 21.42 78.31 0.27 19.05 1.92 0.31 0.08 0.15 0.00 77.93 0.56 8 V E E 41.00 13.62 18.31 32.69 124.82 -163.63 -121.89 136.61 7.06 92.88 0.06 6.47 0.44 0.05 0.02 0.02 0.00 92.77 0.22 9 E E E 95.39 10.72 19.51 30.73 120.61 -151.79 -109.20 131.45 3.84 96.13 0.03 3.60 0.17 0.02 0.01 0.01 0.00 96.08 0.11 10 M E E 29.96 17.29 17.42 34.95 129.46 -174.26 -129.80 143.55 3.57 96.41 0.03 3.41 0.13 0.02 0.01 0.01 0.00 96.36 0.07 11 T E E 59.36 11.05 22.41 33.70 120.75 -152.64 -112.93 131.40 4.06 95.92 0.03 3.80 0.19 0.02 0.01 0.01 0.00 95.86 0.11 12 V E E 9.34 22.70 16.96 40.05 119.12 -164.72 -115.13 125.55 7.04 92.91 0.05 6.50 0.45 0.05 0.02 0.02 0.00 92.71 0.25 13 N E E 64.65 7.85 25.15 33.71 107.12 -140.65 -88.13 108.93 20.00 79.90 0.10 19.54 0.50 0.07 0.05 0.04 0.00 79.04 0.75 14 L C C 6.65 24.52 16.50 41.76 96.55 175.20 -90.46 -11.92 53.73 3.65 42.61 43.48 4.35 6.06 32.81 9.68 0.01 2.89 0.73 15 G H H 19.78 15.80 17.33 33.09 92.59 90.67 -60.02 -38.71 20.39 0.52 79.09 3.86 3.09 12.10 56.52 23.77 0.15 0.31 0.20 16 K H H 132.19 2.52 22.60 24.71 92.42 51.23 -70.00 -28.63 14.24 0.38 85.39 2.19 1.92 8.83 61.47 25.14 0.09 0.25 0.11 17 L H H 48.94 13.29 17.51 31.02 95.27 52.73 -77.02 -25.25 14.72 0.41 84.87 2.66 2.18 9.01 63.88 21.78 0.10 0.26 0.13 18 A H H 12.79 21.36 12.80 33.45 98.14 54.96 -87.10 -11.00 36.76 1.70 61.54 8.56 6.69 22.00 47.34 12.99 0.50 0.87 1.04 19 R C T 130.03 7.92 16.29 25.10 103.36 98.22 -68.73 73.24 77.00 0.68 22.33 4.08 5.40 66.08 18.55 4.95 0.09 0.31 0.55 20 K C T 169.68 1.14 17.57 17.67 96.53 1.94 50.42 12.53 86.29 0.23 13.48 4.72 7.71 73.87 9.49 3.91 0.01 0.11 0.18 21 A C S 31.02 13.05 9.35 22.98 124.14 109.26 -98.35 152.48 98.02 0.76 1.22 32.23 64.23 1.54 0.88 0.25 0.00 0.20 0.67 22 S C C 57.27 2.63 19.41 21.25 118.10 -104.29 -71.97 157.78 98.79 0.68 0.53 96.69 1.75 0.41 0.34 0.09 0.00 0.19 0.52 23 W H H 110.43 15.07 12.14 26.78 92.02 -106.53 -58.53 -38.55 10.95 0.08 88.97 1.23 1.67 7.88 77.32 11.74 0.08 0.04 0.05 24 R H H 150.34 4.17 17.82 23.30 91.77 53.79 -65.37 -36.04 9.20 0.04 90.76 0.44 0.67 7.66 76.96 14.20 0.04 0.02 0.02 25 Y H H 131.54 4.05 20.14 24.34 95.83 42.36 -80.22 -30.46 9.38 0.06 90.56 0.62 0.75 7.39 74.86 16.28 0.04 0.03 0.02 26 K H H 33.45 17.23 16.99 33.94 94.03 50.55 -73.60 -32.52 11.26 0.10 88.64 2.30 1.67 7.46 84.44 4.00 0.03 0.04 0.05 27 A H H 8.78 21.26 17.51 38.63 91.57 65.98 -60.63 -44.94 2.65 0.01 97.35 0.37 0.20 1.87 96.40 1.15 0.00 0.00 0.00 28 P H H 58.00 6.99 24.58 31.93 91.70 50.60 -63.58 -40.76 1.23 0.00 98.77 0.14 0.06 0.90 97.79 1.09 0.00 0.00 0.00 29 K H H 81.31 6.94 25.99 33.43 91.67 49.83 -65.29 -41.39 0.26 0.00 99.74 0.04 0.01 0.15 99.31 0.48 0.00 0.00 0.00 30 C H H 2.76 24.14 20.33 44.61 91.47 50.55 -63.22 -43.38 0.17 0.00 99.83 0.03 0.01 0.09 99.80 0.07 0.00 0.00 0.00 31 I H H 15.92 20.90 22.34 42.37 91.38 50.76 -63.08 -43.03 0.08 0.00 99.92 0.01 0.00 0.04 99.93 0.01 0.00 0.00 0.00 32 Y H H 120.30 4.12 26.94 30.96 91.63 50.36 -63.72 -42.42 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 33 Y H H 60.45 11.41 23.92 35.67 91.79 49.12 -64.78 -42.37 0.03 0.00 99.97 0.00 0.00 0.02 99.97 0.00 0.00 0.00 0.00 34 L H H 1.50 27.06 19.16 46.84 91.07 49.75 -63.56 -43.54 0.02 0.00 99.98 0.00 0.00 0.02 99.98 0.00 0.00 0.00 0.00 35 K H H 65.48 16.02 22.41 37.09 91.35 51.53 -62.07 -42.31 0.04 0.00 99.96 0.00 0.00 0.03 99.96 0.00 0.00 0.00 0.00 36 K H H 113.88 2.72 26.01 27.89 91.45 50.10 -64.25 -41.82 0.10 0.00 99.90 0.00 0.00 0.08 99.90 0.01 0.00 0.00 0.00 37 F H H 33.77 13.38 21.41 35.40 92.00 48.98 -64.76 -42.89 0.17 0.00 99.83 0.01 0.01 0.11 99.84 0.02 0.00 0.00 0.00 38 I H H 4.21 24.31 15.94 40.64 91.45 49.48 -64.24 -42.98 0.27 0.00 99.73 0.02 0.01 0.18 99.68 0.10 0.00 0.00 0.00 39 R H H 102.96 10.16 18.92 29.34 91.85 51.14 -63.28 -40.92 0.79 0.00 99.21 0.06 0.04 0.59 99.00 0.31 0.00 0.00 0.00 40 S H H 72.32 2.38 20.66 22.44 92.66 49.97 -66.78 -38.94 4.05 0.00 95.95 0.16 0.17 3.55 95.60 0.51 0.00 0.00 0.00 41 Q H H 71.41 11.54 16.75 28.53 95.22 44.91 -75.41 -34.97 12.85 0.04 87.10 0.57 0.83 11.08 86.89 0.57 0.02 0.01 0.02 42 F H H 40.64 17.33 12.33 29.23 99.99 40.90 -93.77 -8.21 49.49 0.78 49.74 15.40 11.39 23.06 47.96 1.40 0.05 0.24 0.50 43 K C C 159.17 2.09 17.58 20.16 96.96 -132.75 51.23 34.58 96.58 0.96 2.46 60.62 13.32 22.87 1.07 1.13 0.00 0.49 0.49 44 S C C 41.63 9.01 12.35 22.89 128.93 103.91 -126.65 158.82 95.70 1.53 2.77 64.03 21.45 10.07 0.71 2.15 0.00 0.73 0.85 45 E C C 140.96 4.07 15.36 20.73 96.64 -131.91 -78.94 -10.50 84.83 1.17 13.99 32.99 27.90 23.31 1.35 13.33 0.00 0.60 0.53 46 N C S 92.43 6.25 16.84 24.19 110.27 76.69 -87.74 111.58 84.42 1.89 13.69 26.11 33.39 24.29 1.05 13.42 0.00 1.15 0.59 47 D C C 64.43 10.76 19.57 30.43 108.98 -100.86 -84.71 109.66 72.04 11.67 16.29 49.26 12.47 10.00 1.51 15.30 0.00 10.37 1.07 48 I E E 9.82 24.16 14.58 38.94 121.04 -152.21 -111.56 130.35 36.51 62.83 0.66 33.34 2.83 0.41 0.33 0.34 0.00 60.69 2.06 49 L E E 60.24 10.19 26.92 37.56 120.84 -163.33 -113.03 131.83 12.02 87.70 0.27 11.49 0.71 0.13 0.20 0.10 0.00 85.38 2.00 50 I E E 18.87 23.31 16.72 39.81 117.75 -157.66 -103.53 126.47 19.25 80.55 0.20 18.74 0.78 0.08 0.18 0.07 0.00 75.85 4.30 51 A C C 22.07 13.57 18.26 32.92 111.47 -120.99 -73.52 131.42 97.63 2.21 0.16 97.58 0.47 0.05 0.11 0.01 0.00 1.64 0.13 52 P H H 78.78 6.59 18.69 26.47 91.85 -133.59 -61.14 -33.54 6.76 0.04 93.20 1.25 0.82 4.53 91.71 1.64 0.01 0.02 0.01 53 E H H 107.95 3.46 21.75 25.16 91.80 55.06 -64.69 -39.51 3.15 0.03 96.82 0.46 0.34 2.32 95.36 1.48 0.02 0.02 0.01 54 V H H 7.94 21.10 16.61 37.88 92.24 49.20 -65.38 -42.53 1.19 0.02 98.78 0.26 0.14 0.73 97.50 1.34 0.00 0.01 0.00 55 N H H 24.21 18.99 17.50 36.12 91.65 52.47 -62.80 -42.31 0.98 0.02 99.00 0.25 0.10 0.54 98.61 0.47 0.00 0.01 0.00 56 K H H 114.50 2.78 23.52 25.26 91.59 50.38 -64.04 -41.35 1.10 0.02 98.88 0.20 0.10 0.73 98.60 0.36 0.00 0.01 0.00 57 Y H H 71.81 8.01 20.71 29.77 91.75 49.52 -64.80 -42.27 1.12 0.02 98.86 0.12 0.10 0.85 98.49 0.41 0.01 0.01 0.00 58 I H H 5.92 23.51 14.13 37.77 91.78 49.05 -64.44 -42.67 2.34 0.04 97.63 0.28 0.21 1.80 96.90 0.76 0.01 0.02 0.01 59 W H H 100.98 12.05 16.66 28.90 92.23 49.82 -65.29 -38.13 7.01 0.07 92.92 0.77 0.51 5.78 89.60 3.24 0.03 0.04 0.02 60 R H H 167.27 1.46 19.45 19.87 92.32 52.44 -67.34 -34.27 17.00 0.10 82.90 0.81 1.17 15.20 79.80 2.84 0.08 0.05 0.06 61 H H H 100.44 6.14 15.90 23.12 97.37 38.22 -94.83 -9.79 47.49 0.33 52.18 1.94 6.66 38.34 49.46 3.03 0.15 0.12 0.29 62 G C T 17.48 7.17 18.22 27.33 126.37 -109.68 94.19 173.72 84.45 0.93 14.62 24.42 11.99 48.10 7.95 6.53 0.01 0.42 0.60 63 I H G 42.68 19.95 12.28 31.47 92.86 -68.83 -64.86 -25.61 45.44 1.35 53.21 10.93 8.44 25.64 3.65 49.90 0.04 0.68 0.72 64 K H G 146.97 2.90 19.58 23.08 91.60 63.31 -69.49 -20.41 46.62 0.71 52.67 3.37 6.97 34.03 2.63 52.19 0.03 0.38 0.41 65 N H G 91.04 5.82 19.81 26.35 98.52 46.82 -101.91 8.35 46.43 0.86 52.71 9.41 9.61 25.36 2.12 52.66 0.01 0.44 0.40 66 I C C 15.40 23.49 12.04 35.23 116.18 116.26 -78.90 135.59 98.49 1.41 0.11 50.59 47.98 0.24 0.04 0.05 0.00 0.49 0.61 67 P C C 27.19 14.58 19.55 34.93 113.69 -108.43 -65.89 145.65 96.32 3.56 0.12 94.97 1.66 0.24 0.02 0.07 0.00 2.46 0.57 68 K C S 97.05 11.60 20.36 31.85 98.31 -156.10 -86.35 -28.06 90.81 9.10 0.09 17.06 72.73 1.23 0.01 0.08 0.00 8.46 0.43 69 R E E 94.36 8.35 23.67 32.88 133.75 22.59 -141.68 145.18 22.88 76.87 0.25 16.72 5.81 0.93 0.03 0.24 0.00 75.81 0.46 70 M E E 9.35 24.72 16.03 40.93 127.63 -168.38 -129.57 139.95 7.84 92.10 0.05 7.33 0.53 0.05 0.01 0.03 0.00 91.90 0.15 71 R E E 78.35 9.70 26.41 36.69 118.01 -150.57 -108.57 129.29 2.29 97.70 0.01 2.13 0.10 0.01 0.00 0.00 0.00 97.71 0.04 72 I E E 5.36 25.43 17.17 43.18 123.22 -168.72 -119.57 134.23 0.77 99.23 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.01 73 K E E 62.40 9.65 26.69 36.90 121.43 -165.51 -113.76 133.02 0.55 99.45 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.47 0.01 74 I E E 11.28 23.95 16.72 40.76 121.97 -162.08 -113.82 132.49 0.93 99.07 0.00 0.84 0.03 0.00 0.00 0.00 0.00 99.10 0.02 75 E E E 65.11 8.88 24.27 33.53 128.19 -173.61 -124.72 147.22 1.63 98.36 0.01 1.42 0.09 0.01 0.00 0.00 0.00 98.41 0.06 76 R E E 87.44 15.84 16.28 31.45 121.08 -137.60 -104.56 136.41 8.37 91.60 0.03 7.37 0.80 0.07 0.01 0.02 0.00 91.32 0.41 77 G E E 21.42 9.32 17.24 27.70 133.14 -137.43 -136.78 172.33 46.45 53.41 0.15 41.12 4.14 0.47 0.03 0.11 0.00 53.44 0.69 78 P C C 84.97 4.88 16.46 22.09 112.64 -80.05 -71.35 147.07 63.38 34.79 1.83 42.98 15.24 6.67 0.32 1.71 0.00 30.34 2.74 79 S C C 37.10 11.38 8.90 21.11 112.02 -133.37 -94.49 123.07 84.32 13.91 1.77 61.00 14.93 8.10 0.37 1.67 0.00 10.13 3.81 80 N C S 130.64 1.46 12.01 14.26 95.51 -159.00 -76.36 -19.17 96.78 1.68 1.54 9.18 46.31 41.42 0.13 1.45 0.00 1.05 0.45 81 K C S 164.06 0.80 11.67 11.86 98.13 47.93 -82.88 -26.29 97.64 1.16 1.19 5.71 50.84 41.28 0.10 1.04 0.00 0.68 0.35 82 N C C 70.32 5.55 8.73 16.35 114.13 28.47 -130.11 96.11 88.95 10.31 0.74 44.96 41.39 3.15 0.15 0.71 0.00 6.08 3.56 83 P C T 102.08 3.50 9.74 15.52 93.34 -171.15 -64.23 -21.36 77.94 3.76 18.30 11.45 12.33 52.28 1.12 19.32 0.00 2.90 0.60 84 E C T 154.74 1.05 13.08 13.86 94.00 61.17 -81.15 -8.92 72.20 5.52 22.28 10.31 13.57 47.32 1.43 22.06 0.01 4.42 0.87 85 L C C 73.06 7.75 10.96 20.39 113.70 84.83 -92.57 125.44 66.83 13.69 19.47 32.01 18.86 16.66 1.44 18.56 0.01 10.87 1.59 86 N C C 68.36 10.00 14.15 25.26 111.29 -151.70 -90.20 118.25 60.80 32.59 6.61 41.70 9.97 8.73 0.85 6.17 0.00 31.08 1.50 87 V E E 43.28 12.30 17.04 30.40 126.52 -165.70 -120.03 143.50 26.64 72.74 0.62 22.99 3.07 0.51 0.23 0.41 0.00 70.95 1.83 88 F E E 44.67 17.22 17.00 34.44 120.66 -149.34 -108.82 132.51 12.73 87.20 0.07 11.83 0.67 0.08 0.02 0.04 0.00 86.85 0.50 89 R E E 80.56 10.82 22.53 33.80 119.60 -153.71 -106.64 131.40 7.35 92.63 0.02 6.80 0.37 0.03 0.01 0.01 0.00 92.48 0.30 90 V E E 20.09 21.95 16.09 37.91 121.57 -161.40 -114.68 130.14 7.12 92.87 0.01 6.60 0.27 0.02 0.00 0.00 0.00 92.97 0.13 91 C E E 41.71 9.94 23.37 33.93 127.29 -172.98 -123.06 143.94 3.60 96.39 0.01 3.26 0.15 0.01 0.00 0.00 0.00 96.45 0.13 92 L E E 63.32 15.35 18.16 33.13 115.15 -123.55 -86.31 130.93 4.76 95.21 0.02 4.17 0.37 0.03 0.01 0.01 0.00 95.23 0.19 93 V E E 29.40 16.47 15.95 32.86 122.17 -164.55 -114.14 134.38 11.52 88.45 0.03 10.90 0.48 0.03 0.01 0.01 0.00 88.22 0.35 94 N E E 106.50 3.76 21.50 25.66 109.44 -123.33 -78.17 123.14 23.64 76.30 0.06 21.86 1.49 0.12 0.02 0.04 0.00 75.53 0.95 95 V C C 29.64 18.62 9.69 27.54 124.72 145.96 -120.24 141.08 76.26 21.78 1.96 70.61 4.01 1.19 0.50 1.49 0.00 19.41 2.78 96 N C S 123.83 1.80 18.21 19.92 98.09 -163.95 -89.96 -23.29 91.84 5.17 2.99 35.12 45.49 11.64 0.38 2.71 0.00 3.71 0.95 97 T C S 73.28 4.44 19.00 24.33 132.79 17.73 -142.13 148.69 90.54 5.33 4.13 33.70 41.70 15.60 0.64 3.50 0.00 3.33 1.52 98 F C C 46.50 20.74 9.62 28.79 104.60 -153.97 -102.01 30.20 87.98 5.41 6.61 73.11 8.05 5.98 1.01 6.51 0.00 3.33 2.01 99 K C T 142.85 2.97 16.65 21.12 111.80 133.98 -72.78 131.74 90.32 5.30 4.37 9.34 12.02 68.51 0.61 4.02 0.01 3.61 1.88 100 G C T 55.99 2.16 17.74 19.98 95.12 15.94 81.73 0.92 91.64 4.92 3.45 10.01 13.45 67.89 0.33 3.41 0.00 4.20 0.69 101 L C C 43.49 19.12 9.09 26.79 115.23 142.48 -80.45 136.86 79.26 19.63 1.11 73.39 4.31 1.04 0.24 0.86 0.00 18.42 1.75 102 Q E E 108.37 4.14 19.69 24.89 125.66 -171.53 -122.30 146.91 45.39 54.13 0.49 41.50 2.56 0.63 0.21 0.31 0.00 51.52 3.27 103 S E E 54.21 15.19 11.91 26.42 122.54 -140.62 -108.21 142.04 39.79 59.82 0.39 34.43 4.31 0.74 0.10 0.29 0.00 58.85 1.28 104 Q E E 99.61 5.69 16.50 23.67 124.39 -168.04 -121.70 139.33 30.89 68.74 0.37 27.22 2.98 0.60 0.12 0.26 0.00 66.86 1.97 105 S E E 69.83 6.66 13.24 21.58 114.66 -126.34 -86.93 131.66 36.32 63.21 0.47 31.65 3.46 0.79 0.17 0.32 0.00 61.18 2.43 106 Y C C 109.57 9.43 9.58 20.01 110.95 -162.79 -104.38 106.16 68.49 30.79 0.72 55.68 9.50 2.02 0.20 0.57 0.00 30.36 1.68 107 T C C 98.72 3.00 10.40 15.15 114.69 -146.07 -99.68 128.83 81.71 17.85 0.44 77.56 1.88 1.37 0.11 0.27 0.00 17.59 1.22 108 E C C 140.07 3.04 12.11 16.88 110.04 -125.54 -86.73 121.89 99.63 0.36 0.02 99.56 0.11 0.04 0.00 0.00 0.00 0.26 0.02