# 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 98.68 8.23 15.37 24.47 116.15 -169.43 -97.20 132.81 99.81 0.18 0.01 99.77 0.09 0.03 0.00 0.00 0.00 0.09 0.02 1 L C C 101.71 6.51 15.08 22.79 113.88 -136.86 -90.97 127.87 90.47 9.25 0.28 88.73 1.91 0.61 0.13 0.10 0.00 5.02 3.51 2 I C C 34.55 16.81 8.91 25.22 118.83 -148.50 -98.21 134.57 94.43 5.50 0.07 72.55 22.54 0.14 0.04 0.03 0.00 3.47 1.24 3 P C C 67.23 3.16 16.42 20.15 115.01 -106.56 -65.06 151.88 97.45 2.40 0.15 97.66 0.41 0.06 0.10 0.02 0.00 1.29 0.48 4 K H H 137.29 4.35 11.93 18.39 91.54 -110.75 -57.20 -39.08 2.30 0.00 97.70 0.47 0.37 1.23 96.90 1.03 0.00 0.00 0.00 5 E H H 134.34 1.11 16.23 16.14 91.74 53.35 -64.59 -39.34 1.29 0.00 98.71 0.16 0.11 0.86 97.63 1.23 0.00 0.00 0.00 6 D H H 49.56 8.89 14.68 25.07 92.83 47.68 -67.78 -38.17 0.77 0.00 99.22 0.18 0.07 0.44 98.02 1.29 0.00 0.00 0.00 7 R H H 56.29 17.23 14.03 30.70 91.67 53.73 -62.44 -42.08 0.36 0.00 99.64 0.08 0.03 0.17 99.58 0.15 0.00 0.00 0.00 8 K H H 112.45 4.21 20.60 25.30 91.42 51.06 -63.78 -41.18 0.29 0.00 99.71 0.04 0.01 0.16 99.74 0.05 0.00 0.00 0.00 9 K H H 102.95 3.64 22.51 25.81 91.68 49.70 -64.59 -41.73 0.25 0.00 99.75 0.03 0.01 0.15 99.76 0.06 0.00 0.00 0.00 10 I H H 9.87 20.82 18.19 39.22 91.44 49.42 -63.92 -43.71 0.20 0.00 99.80 0.02 0.01 0.14 99.78 0.06 0.00 0.00 0.00 11 Y H H 41.53 18.73 20.18 38.02 91.43 50.71 -62.88 -42.62 0.33 0.00 99.67 0.03 0.01 0.24 99.61 0.10 0.00 0.00 0.00 12 Q H H 91.86 3.83 24.01 27.54 91.51 50.97 -63.87 -41.69 0.62 0.00 99.38 0.04 0.02 0.50 99.29 0.15 0.00 0.00 0.00 13 H H H 49.32 9.69 21.81 32.45 91.78 49.40 -64.76 -42.32 0.84 0.00 99.16 0.05 0.05 0.70 98.98 0.21 0.00 0.00 0.00 14 L H H 4.84 24.71 16.82 41.59 91.66 49.54 -64.70 -42.73 1.05 0.01 98.94 0.09 0.09 0.86 98.43 0.52 0.01 0.00 0.00 15 F H H 59.74 16.75 19.06 34.74 93.40 47.34 -68.16 -38.72 2.23 0.01 97.76 0.14 0.15 1.97 96.50 1.22 0.02 0.00 0.00 16 Q H H 118.94 2.54 22.65 24.86 96.02 43.71 -76.30 -37.54 6.02 0.01 93.96 0.24 0.39 5.45 92.75 1.15 0.02 0.01 0.01 17 E H H 86.42 8.23 21.00 29.54 98.84 28.90 -98.93 -15.38 19.27 0.09 80.64 1.24 2.98 15.08 79.69 0.88 0.05 0.02 0.06 18 G C C 9.11 17.71 19.78 37.42 99.48 -121.32 78.09 17.13 94.75 4.56 0.69 41.08 19.28 34.54 0.24 0.37 0.00 4.13 0.36 19 V E E 15.30 20.18 23.75 43.27 125.72 125.03 -119.61 140.87 25.80 74.13 0.07 23.52 1.55 0.11 0.02 0.04 0.00 74.03 0.73 20 L E E 6.84 23.94 24.49 47.80 124.13 -161.89 -114.10 135.80 3.52 96.46 0.02 3.43 0.16 0.02 0.01 0.01 0.00 95.99 0.39 21 V E E 22.14 18.48 26.79 44.51 120.81 -157.18 -111.80 130.37 3.21 96.76 0.03 3.04 0.16 0.02 0.01 0.01 0.00 96.31 0.44 22 A E E 6.94 23.00 17.93 40.81 123.02 -155.07 -101.73 145.28 17.60 82.30 0.10 16.31 0.98 0.11 0.04 0.06 0.00 81.47 1.03 23 K C C 96.36 9.14 22.26 31.32 115.28 -115.72 -75.83 146.75 60.52 38.67 0.80 42.47 16.64 2.39 0.18 0.68 0.00 36.02 1.60 24 K C S 109.78 10.36 18.06 28.35 108.74 -99.29 -72.38 98.63 91.74 6.19 2.07 20.89 60.34 10.55 0.32 1.68 0.00 5.07 1.15 25 D C C 66.32 8.25 17.34 26.29 107.84 63.99 -101.12 95.22 94.69 3.08 2.23 78.14 9.28 6.77 0.39 2.23 0.00 1.84 1.36 26 F C T 78.17 14.96 12.46 27.35 95.51 160.74 -73.83 -14.73 96.27 1.81 1.91 19.80 18.58 57.70 0.30 1.79 0.00 1.02 0.81 27 N C T 119.48 2.46 18.20 21.08 97.36 59.55 -92.44 11.61 97.46 1.11 1.43 15.97 23.86 57.51 0.18 1.41 0.00 0.64 0.44 28 Q C C 57.69 13.49 10.56 24.56 118.31 126.95 -77.58 144.33 98.14 1.32 0.54 54.43 42.94 0.88 0.17 0.30 0.00 0.43 0.85 29 P C C 79.07 4.28 17.28 22.34 114.92 -102.21 -65.56 151.42 95.93 1.54 2.53 83.80 7.28 4.68 0.63 1.93 0.00 0.80 0.88 30 K C C 130.48 6.56 13.61 22.12 115.00 -104.52 -76.71 140.49 85.10 10.79 4.11 67.41 10.66 4.94 1.41 2.79 0.00 3.71 9.08 31 H C C 43.81 14.92 8.46 23.42 113.05 -125.67 -88.12 129.91 86.73 9.86 3.41 75.99 6.74 2.74 1.57 1.77 0.00 3.86 7.32 32 E C T 164.58 0.72 15.02 14.54 93.24 -140.55 -67.13 -26.40 90.61 0.92 8.47 10.18 19.25 61.31 1.58 6.66 0.00 0.51 0.51 33 E C T 123.40 3.86 13.67 18.75 95.99 52.64 -81.79 -24.09 91.31 0.76 7.93 7.12 21.34 63.19 1.42 6.08 0.00 0.40 0.44 34 I C S 34.04 17.11 9.10 25.29 116.44 45.56 -115.42 118.51 84.99 5.47 9.54 24.51 30.65 30.27 2.28 6.65 0.03 2.29 3.33 35 D C C 117.78 1.89 18.71 20.37 98.91 -139.49 -67.15 41.53 94.07 3.50 2.44 51.37 27.47 15.62 1.05 1.23 0.00 2.14 1.11 36 T C C 33.44 14.30 12.80 27.77 127.48 108.38 -116.05 150.56 83.28 10.74 5.98 55.92 23.51 3.84 4.75 1.66 0.03 5.22 5.07 37 K C C 98.68 6.80 22.32 29.09 110.64 -106.67 -75.58 135.35 73.83 13.06 13.12 67.02 3.74 2.53 12.57 1.53 0.00 5.67 6.93 38 N H H 31.87 20.97 15.23 35.05 94.96 -133.44 -63.65 -34.27 21.02 0.51 78.47 15.02 2.87 3.86 76.62 1.22 0.00 0.24 0.16 39 L H H 75.54 8.26 22.13 30.75 91.98 62.33 -63.72 -35.29 3.38 0.06 96.56 1.42 0.42 1.49 95.80 0.82 0.00 0.03 0.01 40 F H H 73.12 8.84 23.09 32.43 91.93 53.25 -64.86 -40.48 0.71 0.02 99.27 0.26 0.08 0.35 98.75 0.55 0.00 0.01 0.00 41 V H H 3.36 24.87 18.81 43.83 91.74 49.99 -63.80 -43.72 0.24 0.01 99.76 0.07 0.02 0.11 99.61 0.18 0.00 0.00 0.00 42 I H H 26.41 17.96 21.62 38.97 91.44 50.36 -63.18 -42.86 0.18 0.00 99.82 0.03 0.01 0.10 99.73 0.12 0.00 0.00 0.00 43 K H H 110.98 3.65 26.30 29.86 91.58 50.71 -64.03 -41.25 0.39 0.00 99.60 0.04 0.02 0.28 99.40 0.26 0.00 0.00 0.00 44 A H H 16.04 15.16 21.03 36.68 91.58 50.52 -64.53 -41.47 1.48 0.00 98.51 0.09 0.07 1.18 98.10 0.56 0.00 0.00 0.00 45 L H H 5.93 24.79 17.36 42.02 91.82 50.40 -67.52 -36.63 6.48 0.03 93.49 0.62 0.46 5.09 92.06 1.74 0.01 0.01 0.01 46 Q H H 91.58 9.43 21.24 30.91 92.17 63.32 -63.80 -35.89 28.43 0.23 71.33 2.31 2.12 23.88 67.18 4.19 0.09 0.12 0.12 47 S H H 60.96 4.32 21.80 25.98 92.59 54.28 -72.59 -25.20 48.83 0.60 50.57 5.65 4.70 37.48 46.11 5.36 0.10 0.32 0.28 48 L C H 22.90 19.39 13.63 32.61 94.61 62.31 -72.10 -25.97 54.05 6.59 39.36 29.93 13.21 12.44 31.43 6.66 0.21 3.85 2.26 49 T C C 63.58 12.56 15.41 27.69 95.38 69.23 -70.87 -31.41 51.43 19.24 29.33 33.74 8.40 9.62 23.31 6.39 0.22 13.98 4.35 50 S C E 80.09 2.84 16.92 20.26 94.96 64.02 -76.71 -10.63 42.15 32.64 25.21 18.55 11.55 14.06 16.10 8.15 1.66 20.42 9.51 51 K C T 120.94 5.50 15.27 21.95 96.77 55.39 -87.96 6.08 84.60 2.95 12.44 5.28 15.77 64.15 4.92 6.54 0.08 1.82 1.45 52 G C T 46.90 4.80 18.48 24.10 94.73 -108.03 80.03 7.99 96.65 0.42 2.94 3.10 17.40 76.65 0.36 2.09 0.00 0.25 0.15 53 F C S 40.84 16.25 16.26 32.86 98.27 109.54 -91.01 -18.89 70.74 27.76 1.49 14.29 31.80 26.97 0.25 1.23 0.01 23.52 1.93 54 V E E 7.70 23.41 12.66 36.24 131.17 39.15 -130.77 145.58 15.27 84.65 0.07 12.07 3.10 0.21 0.03 0.05 0.00 82.16 2.38 55 K E E 107.07 4.84 24.41 29.49 121.10 -148.43 -107.81 138.99 4.71 95.28 0.01 4.50 0.16 0.01 0.00 0.00 0.00 95.17 0.16 56 T E E 50.06 18.85 13.14 30.74 123.31 -152.92 -115.69 135.58 2.15 97.85 0.00 2.18 0.04 0.00 0.00 0.00 0.00 97.73 0.04 57 Q E E 85.46 5.81 18.88 25.82 124.28 -172.06 -126.36 136.52 1.62 98.38 0.00 1.47 0.10 0.01 0.00 0.00 0.00 98.36 0.06 58 F E E 113.73 9.61 12.51 23.19 118.24 -147.63 -105.04 130.73 8.66 91.32 0.01 7.38 0.74 0.07 0.00 0.01 0.00 91.51 0.29 59 S C C 47.87 6.25 12.50 20.49 126.59 175.66 -126.02 156.08 74.20 25.75 0.05 69.27 2.81 0.21 0.01 0.03 0.00 27.24 0.43 60 W C S 196.01 2.34 13.84 16.80 97.06 -71.92 -54.18 -32.58 99.25 0.52 0.23 5.35 70.26 23.72 0.02 0.19 0.00 0.38 0.08 61 Q C S 115.04 4.75 14.27 20.02 102.45 7.78 -103.21 -11.16 98.79 1.02 0.19 3.95 72.11 22.84 0.01 0.16 0.00 0.85 0.08 62 Y E E 73.97 10.13 14.96 26.49 133.81 40.17 -135.52 152.38 35.69 64.25 0.06 26.68 8.03 0.55 0.01 0.06 0.00 64.17 0.49 63 Y E E 44.55 14.89 16.64 32.60 121.40 -143.04 -112.03 134.54 3.70 96.30 0.00 3.43 0.14 0.01 0.00 0.00 0.00 96.33 0.10 64 Y E E 32.67 14.74 21.17 36.89 127.11 -170.76 -124.39 141.41 0.50 99.50 0.00 0.45 0.01 0.00 0.00 0.00 0.00 99.52 0.01 65 Y E E 18.01 20.68 20.53 41.19 124.65 -161.55 -117.79 138.11 0.33 99.67 0.00 0.29 0.01 0.00 0.00 0.00 0.00 99.69 0.01 66 T E E 24.79 14.46 25.57 40.15 127.11 -168.82 -123.54 142.32 1.76 98.24 0.00 1.63 0.06 0.00 0.00 0.00 0.00 98.25 0.06 67 L E E 8.66 23.94 16.95 41.49 113.14 -118.67 -79.33 132.25 17.21 82.78 0.01 16.91 0.43 0.01 0.00 0.00 0.00 81.51 1.14 68 T C C 31.48 10.60 20.90 32.50 124.90 -141.10 -86.75 168.15 96.38 3.56 0.06 95.69 1.14 0.04 0.03 0.01 0.00 2.90 0.19 69 E H H 126.69 4.78 19.01 25.16 90.92 -97.87 -59.47 -37.19 2.48 0.01 97.51 0.34 0.33 1.69 97.22 0.42 0.00 0.00 0.00 70 E H H 107.75 3.05 22.51 25.08 91.60 52.77 -64.54 -39.88 0.90 0.00 99.10 0.04 0.05 0.75 98.76 0.39 0.00 0.00 0.00 71 G H H 2.73 21.64 15.83 37.97 91.63 50.38 -64.18 -42.43 0.59 0.00 99.41 0.06 0.03 0.40 99.12 0.39 0.00 0.00 0.00 72 V H H 17.04 19.17 18.10 37.12 91.60 50.75 -63.43 -42.53 0.18 0.00 99.82 0.03 0.01 0.08 99.83 0.05 0.00 0.00 0.00 73 V H H 80.10 2.91 24.09 25.98 91.49 50.48 -63.62 -42.26 0.19 0.00 99.81 0.02 0.01 0.11 99.85 0.02 0.00 0.00 0.00 74 Y H H 61.31 9.08 21.10 31.35 91.78 49.17 -64.12 -42.74 0.22 0.00 99.78 0.02 0.01 0.14 99.80 0.03 0.00 0.00 0.00 75 L H H 4.46 24.35 15.86 40.44 91.71 49.44 -64.31 -42.73 0.16 0.00 99.84 0.01 0.01 0.10 99.84 0.04 0.00 0.00 0.00 76 R H H 76.02 12.84 17.29 30.32 91.91 50.62 -63.70 -41.07 0.18 0.00 99.82 0.01 0.01 0.12 99.80 0.05 0.00 0.00 0.00 77 E H H 134.95 1.38 20.63 20.42 92.91 47.01 -67.30 -40.76 0.51 0.00 99.49 0.02 0.01 0.44 99.42 0.11 0.00 0.00 0.00 78 Y H H 90.34 10.66 16.93 28.06 95.51 42.31 -75.65 -38.07 3.27 0.00 96.73 0.06 0.12 3.15 96.49 0.19 0.00 0.00 0.00 79 L H H 26.65 17.99 13.59 31.66 97.94 32.06 -98.09 -5.10 38.43 0.10 61.47 1.17 3.48 32.45 62.07 0.68 0.04 0.02 0.08 80 N C T 122.43 2.09 20.63 22.56 93.79 -124.93 58.61 40.31 99.56 0.06 0.38 25.16 3.15 71.38 0.16 0.10 0.00 0.03 0.02 81 L C C 24.11 19.91 8.77 27.64 120.58 164.19 -87.66 145.97 99.73 0.23 0.05 94.02 5.59 0.11 0.02 0.02 0.00 0.06 0.18 82 P C C 63.41 4.19 18.37 23.20 115.10 -103.67 -65.70 152.03 99.37 0.20 0.43 98.44 0.67 0.41 0.07 0.21 0.00 0.07 0.11 83 E C T 131.10 6.65 13.13 21.58 92.93 -110.02 -62.53 -25.04 91.85 0.37 7.78 3.25 15.81 71.81 0.63 8.10 0.00 0.20 0.21 84 H C T 144.75 2.23 18.12 20.55 94.08 61.28 -84.14 -1.60 89.99 1.34 8.67 6.04 11.14 71.56 0.81 9.14 0.00 0.95 0.38 85 I C C 45.81 15.77 13.83 29.67 111.09 103.87 -84.29 113.42 78.24 13.81 7.95 50.57 20.13 6.92 1.77 6.71 0.01 7.50 6.40 86 F C C 61.34 14.92 16.13 31.15 120.84 88.27 -109.28 131.60 83.27 15.61 1.12 55.82 27.76 0.61 0.92 0.27 0.00 11.62 3.00 87 P C C 30.15 12.62 15.21 29.30 113.01 -110.10 -65.18 146.58 81.96 15.80 2.24 78.93 2.39 0.69 1.49 0.56 0.00 12.34 3.60 88 A H H 68.48 5.35 15.98 22.72 92.14 -120.50 -59.76 -34.26 24.79 0.62 74.59 8.11 4.57 11.15 45.22 30.36 0.03 0.35 0.21 89 T H H 81.08 3.09 16.90 20.49 92.53 56.93 -67.01 -34.17 21.19 0.69 78.11 5.68 3.41 10.87 48.70 30.64 0.07 0.42 0.21 90 Y H H 65.03 12.47 12.47 25.63 94.60 49.54 -72.74 -31.77 18.76 1.21 80.03 8.00 3.44 7.11 49.91 30.44 0.04 0.77 0.29 91 L H H 63.19 11.57 11.58 23.66 95.10 58.11 -70.12 -34.67 32.14 2.77 65.08 19.96 7.46 7.69 53.74 8.55 0.07 1.48 1.04 92 A H H 80.23 2.36 12.95 16.28 96.79 58.33 -69.44 -24.06 44.69 1.72 53.60 22.21 9.01 15.34 45.15 6.60 0.06 0.91 0.72 93 G C H 57.40 2.00 12.07 14.91 99.71 42.29 -73.79 -7.49 58.90 1.26 39.84 26.85 10.10 23.24 32.53 6.04 0.03 0.57 0.65 94 Q C C 114.45 5.09 8.91 15.72 105.90 83.05 -86.44 52.25 78.31 0.82 20.87 63.26 1.92 13.13 18.48 2.35 0.00 0.37 0.50 95 S C C 82.57 3.16 11.63 16.39 110.87 -141.27 -87.66 125.14 99.94 0.03 0.03 99.82 0.07 0.07 0.01 0.00 0.00 0.01 0.01