# 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 121.04 4.53 11.49 17.54 111.93 75.21 -92.57 120.85 99.79 0.07 0.14 99.65 0.11 0.10 0.09 0.01 0.00 0.03 0.01 1 K C C 120.14 4.80 9.96 16.58 116.13 -144.01 -92.92 138.49 79.13 1.01 19.87 73.63 1.16 3.30 20.20 0.85 0.00 0.43 0.42 2 T C C 75.17 3.32 11.43 16.13 115.81 -122.85 -80.39 157.92 71.38 0.79 27.83 60.28 4.51 3.92 29.52 1.13 0.00 0.31 0.32 3 R H H 140.91 4.57 11.55 17.76 93.59 -114.61 -61.51 -36.33 17.03 0.17 82.80 10.59 2.88 3.71 81.58 1.11 0.00 0.06 0.07 4 T H H 68.60 5.36 13.01 19.87 92.69 53.23 -65.62 -40.16 8.58 0.09 91.32 4.70 1.45 2.65 90.19 0.94 0.00 0.04 0.04 5 E H H 98.90 2.67 15.52 18.56 92.22 50.00 -65.23 -40.58 3.66 0.04 96.30 1.88 0.54 1.30 95.58 0.67 0.00 0.02 0.01 6 Q H H 81.62 4.34 15.70 21.22 92.05 50.35 -64.82 -41.07 2.01 0.02 97.97 0.96 0.26 0.73 97.70 0.33 0.00 0.01 0.00 7 R H H 77.67 10.58 14.95 26.37 92.00 50.37 -64.45 -41.40 1.26 0.01 98.72 0.50 0.13 0.52 98.65 0.19 0.00 0.01 0.00 8 R H H 116.23 5.61 17.70 24.24 91.58 50.63 -63.98 -41.22 1.03 0.01 98.96 0.35 0.10 0.45 98.94 0.14 0.00 0.00 0.00 9 L H H 84.70 2.84 19.72 22.14 91.73 49.87 -64.20 -41.92 0.97 0.01 99.02 0.29 0.09 0.45 99.04 0.12 0.00 0.00 0.00 10 R H H 89.02 8.86 18.53 28.02 92.01 49.72 -64.84 -41.48 1.05 0.01 98.94 0.27 0.09 0.51 98.98 0.13 0.00 0.00 0.00 11 H H H 48.82 14.46 16.35 31.12 91.77 50.73 -63.90 -41.28 1.39 0.01 98.60 0.34 0.12 0.73 98.63 0.18 0.00 0.00 0.00 12 K H H 109.64 4.21 20.48 24.84 91.61 50.83 -63.97 -40.72 1.85 0.01 98.13 0.45 0.17 1.01 98.13 0.23 0.00 0.01 0.00 13 R H H 114.76 3.63 20.86 24.28 91.76 50.05 -65.22 -41.22 2.25 0.02 97.72 0.59 0.23 1.23 97.64 0.30 0.00 0.01 0.01 14 I H H 28.26 15.09 16.83 32.62 92.03 49.62 -64.51 -42.31 2.28 0.04 97.69 0.72 0.26 1.16 97.35 0.49 0.00 0.02 0.01 15 V H H 46.01 13.66 16.93 30.79 91.80 51.79 -63.18 -40.63 2.74 0.04 97.22 0.80 0.28 1.50 96.48 0.91 0.00 0.02 0.01 16 K H H 127.41 2.81 20.50 23.11 92.18 51.38 -65.58 -37.96 5.62 0.06 94.31 1.18 0.56 3.71 92.29 2.19 0.01 0.03 0.02 17 K H H 103.01 7.10 19.09 26.68 93.18 49.80 -70.08 -32.36 12.28 0.16 87.57 2.47 1.40 8.28 84.87 2.79 0.03 0.09 0.06 18 I H H 31.99 19.28 13.64 31.97 97.84 53.17 -78.69 -21.49 23.62 1.11 75.28 8.27 3.74 12.36 71.95 2.61 0.08 0.62 0.39 19 R H H 129.79 7.06 18.38 26.12 105.40 64.13 -83.14 68.78 42.12 3.23 54.65 19.71 6.72 16.84 50.91 2.82 0.09 1.75 1.15 20 A C C 53.35 8.71 13.41 23.09 110.18 80.27 -82.27 130.39 65.85 3.11 31.04 31.33 10.12 24.21 28.17 3.37 0.04 1.60 1.16 21 T C C 67.86 7.96 11.76 20.90 112.18 70.42 -96.41 131.31 79.79 4.47 15.74 55.02 13.47 10.45 13.93 2.84 0.01 2.21 2.07 22 N C C 113.32 3.53 12.02 16.98 101.73 -108.08 -79.35 -10.07 87.53 1.95 10.52 51.96 15.24 20.58 6.85 3.46 0.00 1.03 0.88 23 H C C 143.14 2.36 12.24 15.56 100.74 44.58 -84.06 -17.20 92.50 0.78 6.72 51.43 17.56 24.10 3.30 2.79 0.00 0.38 0.43 24 D C C 87.01 5.78 13.10 20.14 106.09 42.67 -101.46 55.84 94.31 1.14 4.55 57.73 19.69 17.25 1.65 2.55 0.00 0.62 0.51 25 N C C 82.14 9.18 14.56 24.65 105.17 -136.71 -76.82 84.06 93.62 4.36 2.02 68.55 16.19 8.91 0.45 1.62 0.00 3.53 0.76 26 R C C 82.10 12.36 17.98 30.72 119.91 138.67 -104.78 136.72 74.17 24.79 1.04 60.18 10.54 2.27 0.24 0.81 0.00 24.47 1.50 27 V E E 17.89 19.86 19.08 38.95 117.40 -133.97 -95.03 134.89 45.47 54.33 0.20 42.05 2.05 0.30 0.04 0.13 0.00 54.84 0.59 28 V E E 18.14 17.65 25.59 42.98 123.98 -163.73 -118.00 136.28 9.58 90.40 0.02 9.13 0.38 0.03 0.01 0.01 0.00 90.20 0.25 29 L E E 2.85 26.17 22.84 49.27 119.19 -154.68 -107.53 129.95 1.97 98.03 0.00 1.88 0.04 0.00 0.00 0.00 0.00 98.05 0.03 30 M E E 21.81 17.23 28.31 45.36 119.92 -164.23 -113.68 128.42 0.39 99.61 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.63 0.00 31 V E E 4.83 25.08 22.46 47.57 118.75 -163.58 -113.21 125.05 0.20 99.80 0.00 0.19 0.00 0.00 0.00 0.00 0.00 99.80 0.00 32 I E E 30.60 14.64 26.80 41.42 123.35 -171.14 -121.46 133.12 0.22 99.78 0.00 0.21 0.01 0.00 0.00 0.00 0.00 99.77 0.01 33 K E E 63.82 17.51 20.12 36.47 119.12 -154.39 -106.95 129.03 2.89 97.11 0.00 2.63 0.13 0.01 0.00 0.00 0.00 97.15 0.08 34 S C C 27.31 10.72 18.81 30.39 130.56 170.30 -123.16 176.58 76.11 23.86 0.03 74.08 1.08 0.08 0.00 0.02 0.00 24.41 0.33 35 L C S 112.75 5.52 17.55 24.11 92.10 -89.62 -63.93 -31.07 99.64 0.25 0.11 2.12 78.56 19.01 0.01 0.09 0.00 0.17 0.04 36 N C S 96.72 5.30 17.91 23.90 103.81 22.08 -109.25 -14.54 99.63 0.26 0.11 1.57 79.22 18.90 0.00 0.09 0.00 0.18 0.04 37 H E E 58.15 10.73 20.94 32.18 143.54 16.00 -157.64 160.23 38.11 61.86 0.04 28.95 7.79 0.33 0.00 0.04 0.00 62.50 0.40 38 I E E 6.60 24.30 17.65 42.75 119.68 -131.52 -110.35 129.02 1.38 98.62 0.00 1.35 0.02 0.00 0.00 0.00 0.00 98.61 0.02 39 S E E 14.25 14.90 27.32 42.68 125.59 -168.74 -119.47 141.17 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 40 V E E 2.10 26.74 21.49 48.82 126.97 -168.38 -126.69 137.32 0.06 99.94 0.00 0.05 0.00 0.00 0.00 0.00 0.00 99.94 0.00 41 Q E E 23.92 17.57 28.79 45.96 126.77 -170.03 -124.70 138.21 0.08 99.92 0.00 0.07 0.00 0.00 0.00 0.00 0.00 99.93 0.00 42 A E E 2.24 25.04 24.18 49.29 119.12 -154.03 -106.60 128.34 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.92 0.00 43 W E E 25.46 17.68 23.35 41.15 124.43 -169.27 -119.87 137.10 0.09 99.91 0.00 0.08 0.00 0.00 0.00 0.00 0.00 99.91 0.00 44 D E E 22.41 12.67 20.45 34.88 107.99 -137.56 -87.33 114.25 4.46 95.53 0.00 4.18 0.11 0.01 0.00 0.00 0.00 95.59 0.10 45 F C T 57.90 16.65 15.12 32.06 93.69 -161.96 -69.66 -24.11 98.98 0.15 0.87 0.26 1.87 97.10 0.03 0.62 0.00 0.09 0.03 46 S C T 75.63 3.32 17.18 21.43 96.57 51.38 -74.37 -38.67 98.94 0.09 0.97 0.22 1.86 97.01 0.02 0.80 0.00 0.05 0.03 47 Q C T 112.34 2.71 15.73 18.64 98.74 23.86 -99.86 -9.20 99.16 0.05 0.79 0.42 1.81 97.07 0.03 0.64 0.00 0.02 0.01 48 N C T 99.79 7.70 13.99 23.37 94.10 -128.25 59.83 36.80 99.46 0.25 0.29 29.23 4.09 66.19 0.06 0.17 0.00 0.21 0.04 49 I E E 71.43 7.73 19.51 28.47 124.36 136.80 -115.05 139.98 26.94 73.02 0.04 24.54 2.18 0.14 0.01 0.03 0.00 69.82 3.29 50 V E E 46.90 17.44 17.96 34.93 110.53 -121.14 -79.65 123.67 0.36 99.64 0.00 0.36 0.01 0.00 0.00 0.00 0.00 99.59 0.04 51 L E E 24.17 18.74 22.63 40.91 99.77 175.39 -93.55 -30.47 0.81 99.19 0.00 0.45 0.21 0.00 0.00 0.00 0.00 99.33 0.00 52 A E E 4.45 22.22 23.45 45.70 143.21 0.50 -156.56 151.84 0.13 99.87 0.00 0.10 0.01 0.00 0.00 0.00 0.00 99.89 0.00 53 S E E 30.99 20.05 24.89 42.81 138.29 -173.84 -145.76 149.41 0.22 99.78 0.00 0.20 0.00 0.00 0.00 0.00 0.00 99.79 0.00 54 S E E 6.85 23.09 23.12 45.35 138.04 -175.37 -144.90 153.65 0.73 99.27 0.00 0.68 0.02 0.00 0.00 0.00 0.00 99.28 0.03 55 S E E 22.17 16.28 25.42 41.13 136.74 -175.90 -142.49 153.78 10.99 88.94 0.07 10.10 0.71 0.09 0.01 0.05 0.00 88.49 0.55 56 S C T 19.79 20.84 18.58 38.64 95.37 -131.99 -77.33 -13.29 79.26 11.37 9.37 23.67 24.06 32.49 1.09 8.07 0.01 9.56 1.05 57 L C T 83.76 9.41 22.31 31.86 95.68 67.97 -86.98 -2.41 88.08 1.89 10.03 25.79 23.60 38.79 2.01 8.02 0.01 0.99 0.80 58 A C C 27.58 14.99 13.88 29.48 111.47 113.49 -71.93 130.19 74.46 1.10 24.44 43.32 22.39 9.16 9.34 14.50 0.00 0.44 0.85 59 L H G 117.06 3.75 16.99 22.10 93.14 -136.09 -63.24 -30.26 37.12 0.32 62.56 7.24 5.85 22.40 12.59 51.58 0.01 0.16 0.18 60 K H G 125.76 4.54 18.81 24.16 92.94 61.53 -71.04 -20.15 35.68 0.44 63.88 7.72 4.92 21.51 12.56 52.84 0.01 0.25 0.20 61 L H G 16.28 22.34 10.68 31.92 98.14 62.17 -81.61 -8.91 43.64 0.94 55.42 23.81 8.33 11.23 12.37 43.31 0.00 0.48 0.47 62 K C C 116.97 8.29 17.35 26.43 101.82 92.37 -79.74 -3.94 87.02 0.93 12.05 59.86 11.40 15.95 6.38 5.29 0.00 0.42 0.69 63 N C C 110.64 3.38 19.18 22.70 102.08 35.55 -84.34 8.51 93.70 0.76 5.54 50.40 21.27 22.26 2.56 2.66 0.00 0.34 0.51 64 G C C 35.56 13.10 14.48 27.04 104.47 -105.94 76.72 16.30 95.98 1.17 2.85 58.88 27.57 9.61 1.25 1.44 0.00 0.48 0.77 65 N C C 76.78 6.09 20.71 27.22 120.59 140.21 -99.81 145.08 89.51 2.81 7.68 62.36 24.47 1.87 7.42 0.79 0.00 0.61 2.48 66 K H H 84.47 16.33 15.89 31.06 93.89 -125.26 -63.25 -35.47 9.96 0.08 89.95 3.42 2.16 4.37 88.90 1.08 0.01 0.03 0.04 67 D H H 93.46 2.75 24.71 27.09 92.00 54.67 -64.21 -39.94 5.20 0.04 94.76 1.65 0.62 2.69 93.93 1.08 0.00 0.02 0.01 68 N H H 28.70 13.66 21.26 35.39 91.99 50.75 -64.81 -40.45 1.53 0.01 98.46 0.59 0.16 0.66 97.81 0.76 0.00 0.01 0.00 69 A H H 1.63 26.57 17.93 44.97 91.32 51.63 -63.46 -42.12 0.58 0.00 99.42 0.16 0.05 0.27 99.19 0.33 0.00 0.00 0.00 70 K H H 79.56 13.22 26.38 38.88 91.53 51.53 -63.73 -41.95 0.42 0.00 99.58 0.08 0.03 0.22 99.55 0.13 0.00 0.00 0.00 71 L H H 66.58 6.19 29.53 37.16 91.38 50.23 -63.93 -42.09 0.34 0.00 99.66 0.04 0.02 0.20 99.66 0.08 0.00 0.00 0.00 72 V H H 2.50 24.81 24.76 49.12 91.59 49.66 -63.68 -44.20 0.18 0.00 99.82 0.02 0.01 0.10 99.84 0.03 0.00 0.00 0.00 73 G H H 0.91 26.87 23.17 50.04 91.47 51.01 -63.26 -43.16 0.17 0.00 99.83 0.02 0.01 0.10 99.86 0.02 0.00 0.00 0.00 74 Q H H 74.87 9.90 28.42 39.03 91.56 50.39 -64.19 -41.78 0.20 0.00 99.80 0.01 0.01 0.12 99.85 0.01 0.00 0.00 0.00 75 D H H 47.67 8.96 28.62 38.92 91.74 49.55 -64.71 -42.04 0.15 0.00 99.85 0.01 0.00 0.08 99.89 0.01 0.00 0.00 0.00 76 I H H 1.54 26.61 24.09 50.59 91.71 48.94 -64.86 -43.89 0.08 0.00 99.92 0.01 0.00 0.04 99.94 0.01 0.00 0.00 0.00 77 A H H 3.37 24.06 22.09 45.80 91.07 51.49 -62.85 -43.35 0.05 0.00 99.95 0.00 0.00 0.03 99.96 0.01 0.00 0.00 0.00 78 D H H 75.31 4.07 28.08 32.35 91.40 50.48 -63.58 -42.14 0.08 0.00 99.92 0.00 0.00 0.05 99.94 0.01 0.00 0.00 0.00 79 K H H 55.25 10.96 24.06 35.37 91.69 49.44 -64.88 -41.64 0.10 0.00 99.90 0.00 0.00 0.06 99.91 0.02 0.00 0.00 0.00 80 L H H 1.78 26.65 15.23 42.74 91.40 50.36 -63.98 -42.85 0.25 0.00 99.75 0.02 0.01 0.17 99.69 0.12 0.00 0.00 0.00 81 V H H 64.86 11.87 19.35 31.09 91.69 50.59 -63.54 -41.07 0.86 0.00 99.14 0.02 0.02 0.79 98.72 0.45 0.00 0.00 0.00 82 K H H 151.58 1.33 21.29 21.41 90.20 52.98 -65.32 -30.38 6.42 0.00 93.58 0.05 0.09 6.95 92.42 0.48 0.00 0.00 0.00 83 L C T 54.74 12.57 14.46 27.94 93.81 52.04 -88.37 2.17 86.09 0.01 13.89 0.20 0.84 85.23 13.13 0.59 0.00 0.00 0.02 84 K C T 151.30 2.32 22.01 24.44 93.50 -117.13 62.23 36.05 99.74 0.00 0.25 0.59 0.57 98.73 0.08 0.03 0.00 0.00 0.00 85 L C C 10.94 24.46 10.43 34.53 112.94 163.58 -82.32 126.13 92.70 7.19 0.11 93.07 0.44 0.08 0.02 0.04 0.00 5.89 0.45 86 T C C 79.79 5.41 24.03 30.22 100.92 176.38 -103.14 -17.76 84.93 15.00 0.07 66.92 16.51 0.35 0.01 0.07 0.00 15.84 0.31 87 N E E 59.38 10.48 25.35 36.48 131.32 32.48 -138.86 140.67 13.22 86.70 0.08 10.67 2.12 0.20 0.01 0.06 0.00 86.69 0.26 88 V E E 3.80 26.51 18.22 45.41 124.79 -168.99 -126.63 133.40 1.57 98.42 0.01 1.51 0.05 0.00 0.00 0.00 0.00 98.35 0.08 89 V E E 22.80 16.33 27.94 44.14 118.71 -161.99 -112.52 127.11 1.63 98.36 0.01 1.59 0.05 0.01 0.00 0.00 0.00 98.22 0.12 90 F E E 10.46 24.42 21.31 45.36 120.59 -165.74 -108.64 130.37 12.50 87.48 0.03 12.37 0.28 0.02 0.01 0.01 0.00 87.03 0.28 91 D C C 44.64 14.17 24.24 37.97 109.37 -148.88 -98.33 108.53 55.67 44.21 0.12 48.80 4.53 0.42 0.02 0.10 0.00 45.47 0.66 92 T C C 28.83 17.93 16.51 34.20 100.66 173.67 -96.10 3.77 88.80 10.16 1.04 76.98 8.18 3.17 0.24 0.92 0.00 8.74 1.78 93 G C C 41.90 7.73 17.54 26.16 101.93 -148.72 64.36 3.19 91.45 5.12 3.43 42.09 23.26 26.44 0.51 3.13 0.00 2.99 1.59 94 G C S 50.66 5.09 16.34 22.37 100.12 -23.41 83.78 1.25 91.65 2.30 6.05 16.54 40.54 34.72 0.73 5.23 0.00 1.19 1.06 95 S C C 60.19 8.63 13.33 22.97 114.02 105.45 -91.74 133.36 86.91 3.64 9.45 37.53 32.54 16.67 1.62 7.87 0.01 1.64 2.13 96 K C C 132.85 4.63 16.74 22.61 109.10 -145.71 -87.80 110.55 88.45 2.94 8.61 33.39 31.44 24.01 1.76 6.56 0.01 1.40 1.44 97 Y C C 100.15 14.01 12.45 26.11 113.66 -103.39 -93.33 113.37 88.53 3.11 8.35 50.36 19.28 18.91 2.52 5.67 0.00 1.44 1.81 98 H C C 97.33 7.15 16.38 24.94 127.58 163.99 -134.67 147.04 90.58 1.58 7.84 69.99 15.81 4.12 6.86 1.47 0.00 0.54 1.21 99 G H H 42.58 4.38 20.54 25.53 111.72 -19.84 63.88 -132.60 31.74 0.24 68.02 6.81 15.72 9.66 66.34 1.23 0.03 0.06 0.15 100 R H H 71.92 16.79 20.21 35.93 92.91 -1.26 -67.68 -35.39 6.47 0.05 93.48 1.38 1.28 3.76 92.69 0.84 0.02 0.02 0.02 101 I H H 6.82 24.88 19.21 43.76 91.74 52.15 -64.18 -41.97 2.02 0.03 97.95 0.59 0.24 1.07 97.57 0.50 0.00 0.01 0.01 102 A H H 38.25 10.84 25.15 36.22 91.36 52.10 -62.97 -41.57 0.40 0.00 99.60 0.11 0.03 0.19 99.48 0.19 0.00 0.00 0.00 103 A H H 25.97 9.24 26.12 36.70 91.55 51.25 -64.25 -42.23 0.18 0.00 99.82 0.02 0.01 0.11 99.77 0.09 0.00 0.00 0.00 104 L H H 3.54 25.37 23.83 48.61 92.01 49.93 -64.55 -43.00 0.12 0.00 99.88 0.01 0.00 0.08 99.86 0.04 0.00 0.00 0.00 105 A H H 5.92 22.09 23.11 44.66 91.28 50.38 -62.63 -43.07 0.11 0.00 99.89 0.01 0.00 0.06 99.90 0.02 0.00 0.00 0.00 106 E H H 92.54 4.30 28.53 33.20 91.49 50.09 -63.56 -42.14 0.16 0.00 99.84 0.01 0.00 0.09 99.86 0.02 0.00 0.00 0.00 107 A H H 12.30 12.95 22.30 36.61 91.44 50.72 -63.35 -43.03 0.19 0.00 99.81 0.02 0.01 0.12 99.81 0.04 0.00 0.00 0.00 108 A H H 2.17 24.91 15.85 41.40 91.14 50.24 -63.35 -43.10 0.34 0.00 99.65 0.04 0.02 0.23 99.57 0.14 0.00 0.00 0.00 109 R H H 117.10 9.53 19.49 29.42 91.64 50.44 -63.32 -41.01 1.01 0.00 98.98 0.11 0.06 0.75 98.66 0.41 0.00 0.00 0.00 110 E H H 136.80 2.15 19.80 21.94 90.47 53.62 -65.08 -28.86 7.12 0.01 92.87 0.15 0.19 6.95 92.22 0.47 0.00 0.00 0.00 111 R C T 97.77 10.52 14.55 26.04 93.32 50.58 -90.70 3.53 82.03 0.02 17.95 0.26 0.70 80.50 18.04 0.48 0.00 0.00 0.01 112 G C T 51.65 2.47 20.61 22.92 97.45 -99.91 87.46 10.58 99.77 0.01 0.22 0.95 0.80 98.13 0.08 0.03 0.00 0.00 0.00 113 L C C 17.73 22.49 9.19 30.70 117.01 140.79 -87.76 137.50 97.75 2.14 0.12 96.27 1.49 0.29 0.04 0.05 0.00 1.35 0.52 114 N C C 111.05 2.75 22.76 25.60 112.45 -140.59 -93.45 123.06 83.16 16.62 0.23 84.10 0.64 0.52 0.09 0.09 0.00 9.28 5.27 115 F C C 42.00 22.53 13.56 34.53 118.01 -168.38 -107.10 132.27 98.57 1.43 0.00 98.98 0.07 0.01 0.00 0.00 0.00 0.85 0.10