# 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 98.90 9.22 13.44 23.52 119.19 -162.00 -106.42 134.39 99.78 0.21 0.01 99.78 0.07 0.02 0.00 0.00 0.00 0.12 0.01 1 V C C 86.03 6.59 13.20 21.28 118.64 -157.30 -104.10 133.65 65.22 32.65 2.13 63.93 0.82 1.01 1.40 0.65 0.00 26.01 6.17 2 L C C 89.55 8.63 13.15 22.86 113.03 -142.07 -89.13 127.90 66.42 30.06 3.51 54.62 7.96 2.69 2.33 1.37 0.00 26.81 4.21 3 L C C 56.14 14.13 11.48 25.61 115.51 -145.27 -95.07 133.17 77.61 17.27 5.12 64.82 9.18 2.91 3.55 1.81 0.00 14.17 3.54 4 E C C 117.77 4.76 16.82 22.53 111.14 -148.27 -91.50 122.54 89.05 4.14 6.81 77.13 8.40 3.35 5.67 1.52 0.00 2.75 1.17 5 S C H 43.35 10.96 12.91 24.49 110.05 -118.73 -87.59 13.44 52.46 1.01 46.53 30.55 15.36 6.18 45.49 1.64 0.01 0.35 0.42 6 E H H 125.23 3.97 15.61 20.83 93.39 9.94 -64.17 -36.26 11.45 0.10 88.45 3.55 2.14 5.99 86.66 1.55 0.01 0.04 0.05 7 Q H H 101.40 3.17 18.55 21.94 92.32 53.90 -65.59 -40.02 4.63 0.06 95.31 1.70 0.68 2.42 93.96 1.19 0.01 0.03 0.02 8 F H H 21.83 17.87 15.17 33.34 91.84 50.67 -64.07 -43.00 1.45 0.02 98.53 0.64 0.20 0.63 97.89 0.62 0.00 0.01 0.01 9 L H H 35.34 16.07 17.62 33.64 91.75 50.66 -63.40 -41.29 0.74 0.01 99.25 0.29 0.08 0.34 99.01 0.28 0.00 0.00 0.00 10 T H H 70.58 2.99 23.18 25.29 91.58 50.11 -64.04 -41.72 0.53 0.00 99.47 0.16 0.04 0.27 99.40 0.12 0.00 0.00 0.00 11 E H H 63.15 9.37 21.53 31.54 91.68 49.87 -64.43 -41.57 0.39 0.00 99.61 0.09 0.03 0.20 99.61 0.06 0.00 0.00 0.00 12 L H H 5.70 24.22 17.33 41.60 91.42 50.26 -63.65 -42.46 0.40 0.00 99.60 0.07 0.02 0.22 99.62 0.06 0.00 0.00 0.00 13 T H H 44.96 10.90 21.34 32.68 91.26 51.72 -62.95 -41.53 0.47 0.00 99.53 0.06 0.02 0.28 99.57 0.07 0.00 0.00 0.00 14 R H H 127.42 2.30 24.60 25.51 91.51 50.37 -63.90 -41.96 0.52 0.00 99.48 0.05 0.03 0.37 99.42 0.14 0.00 0.00 0.00 15 L H H 16.80 15.86 19.11 35.81 91.61 50.00 -63.63 -43.02 0.62 0.00 99.38 0.06 0.04 0.45 99.10 0.35 0.00 0.00 0.00 16 F H H 19.84 21.52 16.13 37.20 91.38 50.58 -63.39 -41.77 0.92 0.00 99.07 0.10 0.06 0.66 98.30 0.87 0.00 0.00 0.00 17 Q H H 109.98 3.68 20.55 24.70 91.49 50.81 -64.25 -38.77 3.40 0.01 96.59 0.21 0.17 2.99 95.16 1.46 0.00 0.00 0.00 18 K H H 124.23 3.10 20.32 23.40 91.86 50.98 -70.85 -30.75 9.66 0.02 90.33 0.34 0.54 8.90 88.92 1.26 0.02 0.00 0.01 19 C H H 16.98 17.66 11.77 29.67 98.82 45.93 -98.15 -2.64 39.73 0.88 59.38 9.86 7.30 24.43 54.48 2.89 0.14 0.34 0.56 20 R C T 120.95 11.52 14.05 25.95 94.32 102.12 -62.12 -32.59 63.66 4.40 31.94 24.22 6.36 33.00 20.43 11.29 0.12 2.64 1.93 21 L C T 131.22 1.84 16.95 18.57 94.80 53.72 -79.64 -14.83 69.12 3.76 27.13 12.00 12.92 44.01 15.21 11.76 0.22 2.23 1.64 22 S C T 70.72 4.17 16.51 21.36 103.67 50.41 -100.55 -6.63 76.00 3.53 20.47 17.38 22.00 38.27 7.98 10.81 0.06 2.13 1.36 23 G C S 33.83 7.96 16.91 25.65 111.86 -103.95 101.58 -5.12 87.84 11.39 0.77 20.34 60.01 6.95 0.09 0.68 0.00 11.15 0.78 24 S C E 49.75 8.41 20.00 28.96 129.13 52.27 -123.87 151.81 53.08 46.65 0.26 43.80 6.61 0.91 0.04 0.23 0.00 47.87 0.53 25 V E E 22.25 21.70 14.38 35.62 128.77 -165.43 -130.49 141.31 4.83 95.16 0.01 4.46 0.26 0.02 0.00 0.00 0.00 95.02 0.24 26 F E E 88.59 8.38 24.74 33.65 120.40 -152.87 -111.27 131.97 0.76 99.24 0.00 0.72 0.02 0.00 0.00 0.00 0.00 99.24 0.02 27 I E E 29.12 21.67 16.39 37.84 121.42 -163.93 -116.14 129.44 0.54 99.46 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.46 0.01 28 T E E 41.41 9.75 23.06 33.55 126.62 -171.42 -122.21 141.24 1.72 98.28 0.00 1.61 0.04 0.00 0.00 0.00 0.00 98.29 0.05 29 L E E 48.18 17.77 17.44 34.98 117.01 -141.81 -98.54 130.55 7.43 92.56 0.01 6.79 0.33 0.01 0.00 0.00 0.00 92.68 0.18 30 K E E 73.16 10.59 20.01 31.11 128.34 -172.60 -112.12 146.82 18.27 81.70 0.03 16.97 0.87 0.06 0.01 0.01 0.00 81.64 0.44 31 K E E 109.73 8.73 18.90 28.04 114.95 -109.59 -77.09 137.11 27.39 72.52 0.08 25.46 1.48 0.18 0.03 0.06 0.00 70.43 2.36 32 Y C C 64.74 15.71 11.62 27.25 118.94 -158.31 -114.52 128.45 57.41 42.30 0.29 53.04 2.76 0.53 0.11 0.21 0.00 38.08 5.27 33 D C C 96.24 3.85 16.58 21.23 99.79 -168.66 -98.38 12.65 83.06 15.87 1.07 46.93 19.97 16.64 0.18 1.01 0.00 13.37 1.89 34 G C S 46.38 6.25 13.05 20.52 98.43 -108.36 81.45 8.52 95.01 3.80 1.19 28.20 39.99 27.09 0.14 1.24 0.00 2.34 1.01 35 R C C 131.23 4.88 11.91 18.67 116.73 127.25 -91.51 141.71 93.91 4.69 1.40 52.64 31.50 9.80 0.26 1.31 0.00 2.19 2.30 36 T C C 103.80 3.22 12.86 17.42 101.42 -147.41 -92.97 -6.90 96.74 2.35 0.92 47.62 40.58 8.60 0.16 0.85 0.00 1.13 1.06 37 K C S 123.18 3.73 13.84 19.01 121.13 53.75 -110.44 138.05 97.80 1.92 0.28 32.79 62.58 2.67 0.06 0.21 0.00 0.92 0.77 38 P C C 71.00 9.86 11.62 22.35 110.99 -106.61 -68.66 143.53 97.73 1.98 0.28 60.33 34.76 2.78 0.06 0.24 0.00 1.00 0.83 39 I C C 99.94 5.54 15.20 22.20 119.04 -147.77 -108.86 131.60 93.56 6.24 0.21 67.13 26.36 0.51 0.08 0.12 0.00 2.80 3.02 40 P C C 61.12 11.50 10.51 22.75 114.19 -111.74 -65.64 146.48 91.58 7.39 1.03 85.93 4.18 1.35 0.35 0.61 0.00 3.62 3.96 41 R C C 137.98 5.04 11.97 18.77 115.38 -124.66 -86.59 140.43 93.31 4.44 2.25 73.48 14.25 4.73 0.58 1.77 0.00 1.69 3.49 42 K C T 164.52 1.61 12.83 15.34 108.75 -87.43 -69.41 130.89 92.30 2.81 4.90 19.58 26.84 45.81 0.73 4.22 0.00 1.41 1.40 43 G C T 56.19 2.54 12.99 16.48 102.18 18.96 80.91 -2.13 94.73 1.24 4.03 21.77 26.22 46.43 0.48 3.88 0.00 0.68 0.54 44 S C C 60.33 7.10 11.58 20.07 108.87 105.70 -89.23 107.55 92.87 3.62 3.51 68.02 18.76 5.32 0.77 3.11 0.00 1.57 2.46 45 V C C 66.96 11.26 9.82 21.45 108.54 109.28 -92.05 89.45 91.85 4.28 3.86 76.66 9.44 5.03 1.06 2.96 0.00 1.97 2.89 46 E C T 145.41 2.23 13.62 17.12 109.90 -116.88 -73.51 130.33 94.84 2.05 3.11 32.67 23.92 38.30 0.49 2.71 0.00 1.05 0.86 47 G C T 60.28 1.67 14.78 16.76 100.80 14.57 82.75 0.32 97.03 1.11 1.86 33.62 24.96 38.27 0.23 1.90 0.00 0.58 0.44 48 F C C 70.22 14.46 8.63 22.63 117.91 130.69 -91.39 138.01 97.41 1.83 0.76 80.55 15.23 1.32 0.23 0.55 0.00 0.67 1.45 49 E C C 115.17 3.35 17.54 21.44 115.96 -141.09 -94.24 133.52 98.98 0.64 0.38 90.97 7.46 0.55 0.14 0.20 0.00 0.23 0.44 50 P C G 67.31 12.65 11.54 24.39 96.66 -120.70 -60.62 -27.37 51.41 0.72 47.87 23.03 6.16 19.41 3.04 47.72 0.00 0.42 0.22 51 S H G 73.12 5.06 16.69 22.92 94.20 66.71 -74.77 -15.42 44.00 0.88 55.13 11.38 7.08 23.65 3.04 54.09 0.00 0.55 0.22 52 D H G 74.52 7.91 17.77 26.44 96.98 66.28 -80.97 -8.71 42.93 1.36 55.71 13.04 10.79 18.30 2.75 53.94 0.00 0.83 0.34 53 N C C 37.69 16.77 16.38 32.80 102.82 68.69 -98.59 34.16 73.76 6.00 20.24 41.58 19.58 12.95 2.31 18.19 0.00 4.06 1.33 54 K C C 53.68 14.20 22.65 36.98 122.51 122.88 -103.69 144.38 59.79 38.98 1.23 46.09 11.84 1.61 0.31 0.99 0.00 37.45 1.71 55 C E E 6.14 22.60 20.79 43.29 129.94 -163.66 -127.85 144.32 5.31 94.66 0.02 4.75 0.47 0.03 0.01 0.02 0.00 94.46 0.26 56 L E E 17.69 17.90 25.51 43.42 117.30 -138.21 -104.40 127.56 0.51 99.49 0.00 0.44 0.02 0.00 0.00 0.00 0.00 99.52 0.01 57 L E E 5.93 23.81 22.10 45.86 123.56 -167.86 -117.55 134.09 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 58 R E E 50.20 14.44 25.76 40.15 121.21 -160.54 -111.35 132.92 0.14 99.86 0.00 0.13 0.00 0.00 0.00 0.00 0.00 99.87 0.00 59 A E E 5.67 21.89 18.44 40.78 123.00 -167.88 -114.80 137.55 1.50 98.50 0.00 1.36 0.05 0.00 0.00 0.00 0.00 98.56 0.02 60 T E E 40.66 11.16 19.92 32.08 124.94 -165.86 -121.71 139.20 11.21 88.74 0.05 8.84 1.87 0.25 0.01 0.04 0.00 88.55 0.44 61 D C E 58.35 10.41 14.90 26.34 109.93 -176.82 -119.97 90.40 56.41 43.10 0.49 36.00 14.99 5.21 0.07 0.49 0.00 42.35 0.89 62 G C S 52.41 2.79 15.37 18.67 107.69 -58.58 66.68 -120.43 98.14 0.80 1.06 12.21 45.34 40.61 0.08 1.06 0.00 0.53 0.17 63 K C S 173.36 0.78 14.67 14.11 98.27 2.58 -92.40 -11.56 97.69 1.37 0.93 10.00 52.60 35.19 0.07 0.89 0.00 1.04 0.20 64 K E E 102.45 6.62 13.84 22.10 122.17 83.69 -102.85 136.98 38.30 61.51 0.18 30.79 6.02 0.89 0.03 0.16 0.00 61.56 0.55 65 K E E 98.61 11.48 15.26 27.56 123.74 -163.68 -120.38 136.25 5.63 94.36 0.01 5.22 0.24 0.02 0.00 0.00 0.00 94.36 0.15 66 I E E 37.59 14.78 18.32 33.88 125.81 -172.10 -126.82 139.07 0.83 99.17 0.00 0.78 0.02 0.00 0.00 0.00 0.00 99.17 0.02 67 S E E 43.47 14.35 19.72 33.91 131.10 -170.86 -128.84 144.19 0.88 99.12 0.00 0.79 0.02 0.00 0.00 0.00 0.00 99.18 0.01 68 T E E 21.93 17.03 20.19 37.40 134.47 -175.46 -139.26 151.07 0.77 99.23 0.00 0.69 0.01 0.00 0.00 0.00 0.00 99.29 0.01 69 V E E 56.19 12.56 23.40 35.94 119.24 -141.70 -109.45 129.60 0.41 99.59 0.00 0.37 0.01 0.00 0.00 0.00 0.00 99.61 0.01 70 V E E 10.14 20.85 16.53 37.67 129.74 -175.78 -127.45 147.78 2.75 97.25 0.00 2.67 0.05 0.00 0.00 0.00 0.00 97.17 0.11 71 S E E 36.41 6.59 22.48 29.67 119.16 -114.31 -73.58 159.60 37.08 62.91 0.01 37.07 0.34 0.01 0.00 0.00 0.00 62.31 0.27 72 S H H 45.05 12.88 14.80 28.34 91.29 -109.82 -59.07 -36.36 4.02 0.01 95.96 0.42 0.40 3.04 91.98 4.15 0.01 0.01 0.00 73 K H H 141.02 1.45 21.07 21.13 91.46 54.76 -64.78 -38.06 1.68 0.00 98.31 0.10 0.10 1.47 94.45 3.89 0.00 0.00 0.00 74 E H H 61.00 10.74 18.04 29.50 92.42 48.87 -67.20 -38.59 1.11 0.00 98.89 0.09 0.07 0.84 94.75 4.24 0.00 0.00 0.00 75 V H H 15.55 20.62 14.44 34.87 91.77 53.30 -62.25 -43.31 0.97 0.00 99.02 0.16 0.09 0.61 98.72 0.41 0.00 0.00 0.00 76 N H H 83.20 4.40 21.32 25.93 91.44 50.91 -63.77 -40.56 0.90 0.00 99.10 0.15 0.06 0.56 99.11 0.12 0.00 0.00 0.00 77 K H H 114.74 2.80 22.07 24.23 91.76 49.79 -64.80 -41.36 0.24 0.00 99.76 0.02 0.01 0.16 99.75 0.06 0.00 0.00 0.00 78 F H H 27.85 17.37 17.49 34.98 91.99 49.88 -64.80 -42.54 0.08 0.00 99.92 0.01 0.00 0.05 99.92 0.03 0.00 0.00 0.00 79 Q H H 59.47 13.92 19.46 33.04 91.59 51.23 -62.81 -41.73 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 80 M H H 104.06 2.46 22.70 24.11 91.81 49.95 -64.53 -41.53 0.06 0.00 99.94 0.00 0.00 0.04 99.94 0.01 0.00 0.00 0.00 81 A H H 35.85 7.17 19.82 28.29 91.72 50.40 -64.34 -42.14 0.10 0.00 99.90 0.00 0.00 0.07 99.91 0.02 0.00 0.00 0.00 82 Y H H 47.59 15.61 17.89 33.55 92.04 49.49 -64.39 -42.11 0.23 0.00 99.77 0.02 0.01 0.17 99.78 0.03 0.00 0.00 0.00 83 S H H 44.09 7.11 18.84 27.04 91.49 50.92 -63.57 -41.30 0.42 0.00 99.57 0.04 0.02 0.29 99.59 0.06 0.00 0.00 0.00 84 N H H 89.09 2.30 20.78 22.09 91.97 49.78 -65.16 -40.98 0.53 0.00 99.47 0.05 0.03 0.38 99.41 0.13 0.00 0.00 0.00 85 L H H 58.83 8.79 17.27 27.15 92.16 49.98 -64.69 -42.24 0.51 0.00 99.49 0.05 0.03 0.36 99.28 0.28 0.00 0.00 0.00 86 L H H 58.43 10.70 15.27 26.77 92.00 49.28 -65.00 -40.72 1.06 0.00 98.93 0.12 0.06 0.76 98.49 0.56 0.00 0.00 0.00 87 R H H 142.10 3.08 16.57 20.46 91.97 50.86 -64.74 -37.82 4.10 0.01 95.89 0.32 0.24 3.42 94.87 1.13 0.01 0.00 0.01 88 A H H 67.50 3.01 15.57 19.17 92.81 53.40 -69.54 -29.36 19.29 0.05 80.66 0.97 1.07 17.34 78.67 1.86 0.03 0.02 0.04 89 N C H 81.67 6.74 13.12 21.16 99.20 47.41 -91.75 -3.18 51.54 0.43 48.03 6.88 3.95 39.58 45.92 3.16 0.04 0.19 0.27 90 M C C 94.40 8.41 10.19 19.66 104.34 91.91 -82.23 25.99 56.79 5.60 37.61 29.52 11.90 16.96 28.71 7.26 0.23 2.61 2.82 91 D C T 109.05 2.32 12.18 15.72 104.44 111.38 -84.38 60.77 61.40 3.10 35.50 20.40 11.07 30.71 24.20 10.36 0.13 1.62 1.52 92 G C T 52.32 3.05 12.41 16.49 101.23 13.24 75.06 1.63 65.74 1.63 32.63 18.15 14.38 34.05 20.60 11.05 0.07 0.80 0.90 93 L C C 91.14 6.50 9.22 17.26 112.10 115.17 -85.55 128.31 62.81 4.27 32.91 36.53 14.90 12.02 23.48 8.92 0.05 2.25 1.85 94 K C C 123.41 3.75 11.14 16.50 115.70 -149.15 -90.47 136.86 62.58 6.10 31.32 42.73 11.68 8.20 25.05 6.32 0.04 3.41 2.57 95 K C C 130.16 4.02 10.13 15.82 104.28 -118.72 -75.54 126.78 56.64 3.08 40.28 42.09 7.71 7.10 31.57 8.55 0.01 1.83 1.14 96 R H H 162.80 2.43 10.33 14.08 98.73 57.52 -72.69 -26.86 48.52 1.77 49.71 27.06 9.76 12.38 35.87 13.20 0.03 1.03 0.67 97 D H H 104.75 2.30 10.21 13.67 102.11 58.22 -85.66 10.07 49.17 1.46 49.37 27.19 9.16 13.17 35.41 13.63 0.02 0.78 0.63 98 K C H 124.36 4.50 8.86 14.98 104.12 101.44 -81.26 25.93 51.50 1.41 47.09 32.30 9.99 9.79 36.73 9.83 0.01 0.68 0.67 99 K C C 143.60 2.32 10.36 13.96 103.68 110.00 -85.30 15.47 59.33 1.49 39.18 37.43 12.33 9.73 33.85 5.24 0.01 0.67 0.74 100 S C C 70.92 3.82 8.99 14.49 111.37 97.17 -88.27 124.90 67.43 1.11 31.46 45.95 10.94 10.02 27.29 4.69 0.00 0.50 0.60 101 K C C 147.69 2.34 9.98 13.69 102.94 -155.73 -85.02 8.41 66.63 1.20 32.17 40.27 14.00 12.33 26.74 5.45 0.01 0.54 0.66 102 S C C 76.14 3.05 9.13 13.80 108.63 89.54 -84.60 116.01 70.85 1.41 27.74 43.20 14.16 13.43 22.09 5.68 0.00 0.66 0.78 103 K C C 143.28 2.78 9.41 13.79 105.24 61.79 -85.74 56.30 73.36 1.94 24.70 47.44 14.88 10.88 19.30 5.53 0.00 0.93 1.03 104 K C C 144.79 2.52 9.40 13.53 107.52 92.93 -86.36 93.17 77.86 2.02 20.12 48.52 16.24 12.91 15.47 4.81 0.00 0.99 1.06 105 S C C 78.10 3.09 8.52 13.38 110.28 115.30 -88.07 121.72 82.51 2.15 15.34 53.41 16.52 12.37 11.17 4.25 0.00 1.03 1.24 106 K C C 143.11 2.47 8.69 12.89 112.59 -112.50 -89.64 131.86 85.63 1.58 12.78 55.92 22.38 7.43 8.78 3.87 0.00 0.74 0.87 107 P C C 100.55 2.96 7.91 12.65 109.23 -113.22 -73.11 138.63 82.76 1.36 15.88 55.45 10.99 16.70 8.30 7.14 0.00 0.76 0.66 108 A C C 86.83 2.22 7.50 11.42 107.68 -120.16 -84.42 99.87 86.17 1.56 12.27 71.44 2.63 13.61 6.16 4.45 0.00 0.91 0.81 109 Q C C 137.44 2.25 10.04 13.77 109.62 -142.28 -90.15 111.23 99.70 0.18 0.11 99.38 0.25 0.18 0.05 0.02 0.00 0.10 0.03