#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3had s ILE 13 N 0.00 5.26 -0.12 -0.18 1.01 -1.26 -5.06 121.20 120.84 3had s ILE 13 Ca 0.00 -0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3had s ILE 13 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3had s ILE 13 CO 0.00 -0.03 0.53 -0.63 0.00 0.00 0.00 174.94 174.80 3had s ILE 14 N 1.80 5.15 0.03 2.92 1.01 -1.26 -4.95 121.20 125.90 3had s ILE 14 Ca 0.08 1.05 -0.30 0.00 0.00 0.00 0.00 60.65 61.47 3had s ILE 14 Cb -0.17 -3.86 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 3had s ILE 14 CO 0.11 0.29 1.78 -0.69 0.00 0.00 0.00 174.94 176.42 3had s VAL 15 N 0.83 3.12 0.00 2.92 1.01 -1.26 -4.80 120.40 122.22 3had s VAL 15 Ca 0.28 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.60 3had s VAL 15 Cb -0.16 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3had s VAL 15 CO 0.12 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.49 3had n LYS 16 N 6.65 0.40 -3.98 2.72 4.76 -1.26 -5.01 118.16 122.43 3had n LYS 16 Ca 0.18 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.27 3had n LYS 16 Cb 0.41 -0.83 -0.13 0.00 -1.84 0.00 0.00 35.03 32.65 3had n LYS 16 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 3had s HIS 17 N -1.65 3.05 -0.07 2.13 2.46 -1.26 -0.66 115.29 119.28 3had s HIS 17 Ca 0.00 -0.47 0.04 0.00 0.47 0.00 0.00 55.06 55.11 3had s HIS 17 Cb 0.00 -2.12 -0.00 0.00 -0.13 0.00 0.00 32.58 30.33 3had s HIS 17 CO 0.00 -0.28 -0.21 0.08 -2.47 0.00 0.00 174.74 171.86 3had s VAL 18 N 1.15 1.80 -0.31 0.89 1.01 0.22 -0.69 120.40 124.47 3had s VAL 18 Ca 0.03 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 3had s VAL 18 Cb -0.14 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.69 3had s VAL 18 CO 0.02 0.50 0.12 -0.89 0.00 0.00 0.00 175.10 174.85 3had s THR 19 N 0.22 4.24 -0.29 3.92 2.01 1.00 -1.59 115.64 125.15 3had s THR 19 Ca -0.12 -0.64 -0.10 0.00 0.31 0.00 0.00 61.69 61.14 3had s THR 19 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.12 3had s THR 19 CO 0.06 0.03 0.16 -0.69 -0.69 0.00 0.00 174.62 173.48 3had s VAL 20 N 1.54 4.87 -0.38 3.82 1.01 -0.01 -0.70 120.40 130.54 3had s VAL 20 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 3had s VAL 20 Cb -0.17 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3had s VAL 20 CO 0.04 0.19 0.24 -0.63 0.00 0.00 0.00 175.10 174.94 3had s ILE 21 N 1.68 4.86 0.00 2.22 1.01 -0.17 -0.45 121.20 130.35 3had s ILE 21 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.99 3had s ILE 21 Cb -0.16 -3.68 0.00 0.00 0.01 0.00 0.00 42.46 38.62 3had s ILE 21 CO 0.08 -0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.40 3had n GLY 22 N 5.06 2.22 2.27 6.18 0.00 0.85 -0.01 105.19 121.77 3had n GLY 22 Ca -0.12 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 3had n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3had n GLY 23 N 0.36 5.27 0.00 -0.02 0.00 -1.25 -3.48 105.19 106.07 3had n GLY 23 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3had n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3had n GLY 24 N -0.97 0.32 0.26 -0.02 0.00 -1.26 -4.30 105.19 99.22 3had n GLY 24 Ca 0.61 -1.77 0.03 0.00 0.00 0.00 0.00 46.02 44.89 3had n GLY 24 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3had h LEU 25 N 0.00 -0.30 0.00 0.99 5.85 -1.94 -1.45 115.31 118.45 3had h LEU 25 Ca 0.00 0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 3had h LEU 25 Cb 0.00 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 3had h LEU 25 CO 0.00 -0.14 -0.30 0.24 -0.34 0.00 0.00 178.44 177.89 3had h MET 26 N 0.12 0.00 -0.15 1.25 2.86 -1.90 -3.29 114.93 113.81 3had h MET 26 Ca 0.37 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 58.06 3had h MET 26 Cb 0.63 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 3had h MET 26 CO -0.60 0.83 -0.18 0.78 1.06 0.00 0.00 176.91 178.79 3had h GLY 27 N -1.00 -0.12 0.38 8.32 0.00 -1.58 -0.55 103.07 108.53 3had h GLY 27 Ca -0.08 0.23 0.15 0.00 0.00 0.00 0.00 47.33 47.63 3had h GLY 27 CO -0.05 -0.17 0.61 0.00 0.00 0.00 0.00 176.54 176.93 3had h ALA 28 N 0.82 1.67 -0.19 3.60 0.00 -1.31 0.66 119.26 124.52 3had h ALA 28 Ca 0.11 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 3had h ALA 28 Cb 0.38 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3had h ALA 28 CO -0.28 0.05 -0.55 0.78 0.00 0.00 0.00 179.25 179.25 3had h GLY 29 N 0.84 0.61 0.98 0.00 0.00 -1.41 -1.85 103.07 102.23 3had h GLY 29 Ca 0.51 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 3had h GLY 29 CO -0.28 0.64 0.03 -2.22 0.00 0.00 0.00 176.54 174.71 3had h ILE 30 N 0.43 1.26 -0.74 2.60 2.04 0.54 -2.19 117.51 121.45 3had h ILE 30 Ca 0.01 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 64.84 3had h ILE 30 Cb 1.09 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3had h ILE 30 CO 0.10 0.35 0.35 0.00 0.00 0.00 0.00 178.15 178.95 3had h ALA 31 N 0.93 0.95 0.09 1.87 0.00 -0.87 -1.05 119.26 121.18 3had h ALA 31 Ca 0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3had h ALA 31 Cb 0.46 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3had h ALA 31 CO 0.02 0.52 -0.04 0.37 0.00 0.00 0.00 179.25 180.12 3had h GLN 32 N 1.04 -0.12 -0.61 0.00 4.15 -1.16 -0.58 115.11 117.84 3had h GLN 32 Ca 0.25 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.62 3had h GLN 32 Cb 0.13 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3had h GLN 32 CO -0.03 -0.01 0.16 0.28 -1.93 0.00 0.00 178.83 177.29 3had h VAL 33 N -0.19 1.25 -0.67 2.39 2.07 -1.29 0.40 116.25 120.21 3had h VAL 33 Ca -0.01 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 3had h VAL 33 Cb 0.15 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 3had h VAL 33 CO 0.02 0.34 0.32 0.00 0.02 0.00 0.00 177.57 178.26 3had h ALA 34 N 1.04 0.87 -0.14 1.67 0.00 -1.07 -2.03 119.26 119.60 3had h ALA 34 Ca 0.19 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3had h ALA 34 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3had h ALA 34 CO 0.00 0.44 -0.62 0.00 0.00 0.00 0.00 179.25 179.07 3had h ALA 35 N 1.15 0.66 0.00 0.00 0.00 -0.89 -0.97 119.26 119.21 3had h ALA 35 Ca 0.23 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3had h ALA 35 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3had h ALA 35 CO -0.03 0.71 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3had n ALA 36 N -2.52 1.86 -1.12 0.00 0.00 0.11 -2.68 120.51 116.17 3had n ALA 36 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 53.44 53.43 3had n ALA 36 Cb 0.64 -1.41 0.27 0.00 0.00 0.00 0.00 19.45 18.95 3had n ALA 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3had n THR 37 N -2.23 2.69 -0.60 0.00 -2.24 -0.78 -4.95 114.28 106.18 3had n THR 37 Ca 0.03 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 3had n THR 37 Cb 0.29 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3had n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3had n GLY 38 N -0.48 0.78 3.87 3.38 0.00 -1.09 -4.93 105.19 106.71 3had n GLY 38 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.05 3had n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3had s HIS 39 N -2.94 3.42 -0.14 1.61 3.76 -0.39 -5.02 115.29 115.60 3had s HIS 39 Ca 0.00 1.01 -0.20 0.00 -0.15 0.00 0.00 55.06 55.71 3had s HIS 39 Cb 0.00 -2.38 -0.03 0.00 1.11 0.00 0.00 32.58 31.27 3had s HIS 39 CO 0.00 0.10 0.59 0.99 -0.85 0.00 0.00 174.74 175.57 3had s THR 40 N -2.05 5.09 0.04 1.30 2.01 0.17 -4.25 115.64 117.94 3had s THR 40 Ca 0.50 1.16 0.07 0.00 0.31 0.00 0.00 61.69 63.73 3had s THR 40 Cb -0.11 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 3had s THR 40 CO 0.23 0.22 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.50 3had s VAL 41 N 1.19 1.60 -0.20 3.82 1.01 -0.52 -0.61 120.40 126.68 3had s VAL 41 Ca 0.30 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.14 3had s VAL 41 Cb -0.16 -1.39 0.04 0.00 0.00 0.00 0.00 36.38 34.87 3had s VAL 41 CO 0.12 0.20 -0.10 -0.69 0.00 0.00 0.00 175.10 174.63 3had s VAL 42 N -0.78 1.67 -0.09 2.92 1.01 -0.62 -0.34 120.40 124.16 3had s VAL 42 Ca 0.07 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 60.84 3had s VAL 42 Cb -0.09 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3had s VAL 42 CO 0.02 0.15 0.41 -0.22 0.00 0.00 0.00 175.10 175.46 3had s LEU 43 N 1.38 4.33 -0.04 3.92 2.96 0.04 -0.83 118.68 130.44 3had s LEU 43 Ca -0.02 0.78 0.07 0.00 -0.22 0.00 0.00 54.13 54.74 3had s LEU 43 Cb -0.16 -2.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 3had s LEU 43 CO -0.08 0.12 -0.24 -0.69 -1.32 0.00 0.00 176.35 174.14 3had s VAL 44 N 0.09 1.95 0.24 1.68 1.01 0.40 -1.68 120.40 124.10 3had s VAL 44 Ca 0.23 -1.03 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 3had s VAL 44 Cb -0.15 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.62 3had s VAL 44 CO 0.10 0.55 0.62 -0.62 0.00 0.00 0.00 175.10 175.75 3had s ASP 45 N -0.35 -0.26 0.33 3.32 -1.08 -1.17 -0.10 116.67 117.35 3had s ASP 45 Ca 0.03 -0.57 0.05 0.00 -0.52 0.00 0.00 52.55 51.54 3had s ASP 45 Cb -0.12 0.66 0.69 0.00 -1.46 0.00 0.00 42.92 42.70 3had s ASP 45 CO 0.01 -1.21 1.90 1.56 0.52 0.00 0.00 175.17 177.95 3had h GLN 46 N 2.09 0.81 -5.05 4.34 4.20 -1.90 -3.38 115.11 116.21 3had h GLN 46 Ca -0.24 -0.05 -0.34 0.00 0.06 0.00 0.00 58.65 58.09 3had h GLN 46 Cb 1.26 -0.18 -0.17 0.00 0.30 0.00 0.00 27.48 28.68 3had h GLN 46 CO 0.30 0.53 -0.73 0.99 -0.67 0.00 0.00 178.83 179.25 3had s THR 47 N -5.77 1.04 0.37 -0.54 2.01 -1.26 -4.94 115.64 106.55 3had s THR 47 Ca -0.11 -1.72 0.27 0.00 0.31 0.00 0.00 61.69 60.44 3had s THR 47 Cb 0.21 -1.47 0.28 0.00 0.01 0.00 0.00 72.50 71.53 3had s THR 47 CO 0.79 -0.57 2.03 -0.33 -0.69 0.00 0.00 174.62 175.86 3had h GLU 48 N 3.43 0.00 -0.02 4.92 5.08 -1.98 -1.46 114.58 124.55 3had h GLU 48 Ca -0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3had h GLU 48 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3had h GLU 48 CO 0.54 0.14 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.21 3had h ASP 49 N 0.00 0.07 -0.44 1.42 5.19 -1.98 -0.80 116.42 119.88 3had h ASP 49 Ca -0.00 -0.58 0.05 0.00 -0.62 0.00 0.00 57.03 55.88 3had h ASP 49 Cb 0.40 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 39.84 3had h ASP 49 CO 0.02 0.63 0.18 0.40 -3.12 0.00 0.00 179.24 177.36 3had h ILE 50 N -0.49 0.90 -0.33 0.35 2.04 -1.86 0.61 117.51 118.72 3had h ILE 50 Ca 0.00 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3had h ILE 50 Cb 0.62 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3had h ILE 50 CO 0.01 0.07 0.20 -0.07 0.00 0.00 0.00 178.15 178.36 3had h LEU 51 N 0.37 0.34 -0.29 1.44 3.38 -1.29 0.15 115.31 119.41 3had h LEU 51 Ca 0.20 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.21 3had h LEU 51 Cb 0.16 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3had h LEU 51 CO -0.18 0.25 0.04 0.00 0.09 0.00 0.00 178.44 178.63 3had h ALA 52 N 1.13 0.29 -0.89 1.53 0.00 -0.47 0.26 119.26 121.10 3had h ALA 52 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3had h ALA 52 Cb -0.02 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3had h ALA 52 CO -0.04 -0.38 0.50 -0.22 0.00 0.00 0.00 179.25 179.11 3had h LYS 53 N 0.13 1.24 -0.36 0.00 3.64 -0.45 0.10 116.57 120.87 3had h LYS 53 Ca 0.14 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 3had h LYS 53 Cb 0.16 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3had h LYS 53 CO -0.20 0.89 -0.19 0.77 -2.27 0.00 0.00 179.45 178.45 3had h SER 54 N 1.24 0.80 -0.10 4.20 0.02 0.14 -1.62 113.55 118.23 3had h SER 54 Ca 0.32 -0.41 -0.10 0.00 -0.84 0.00 0.00 61.79 60.75 3had h SER 54 Cb 0.01 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 3had h SER 54 CO -0.05 1.03 -0.25 0.50 -1.14 0.00 0.00 176.83 176.92 3had h LYS 55 N 0.56 0.54 -0.76 3.45 3.64 -0.24 -1.41 116.57 122.35 3had h LYS 55 Ca 0.08 -0.21 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3had h LYS 55 Cb 0.74 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.49 3had h LYS 55 CO 0.06 0.74 0.36 -0.22 -2.27 0.00 0.00 179.45 178.12 3had h LYS 56 N 0.48 1.09 -0.29 1.90 3.64 -0.57 -0.91 116.57 121.90 3had h LYS 56 Ca 0.07 -0.15 -0.10 0.00 -1.27 0.00 0.00 60.65 59.19 3had h LYS 56 Cb 0.68 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 3had h LYS 56 CO 0.05 0.84 -0.25 0.78 -2.27 0.00 0.00 179.45 178.60 3had h GLY 57 N 1.12 0.62 1.07 5.01 0.00 -0.56 -1.59 103.07 108.74 3had h GLY 57 Ca 0.26 -0.52 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 3had h GLY 57 CO -0.03 0.48 -0.05 -2.22 0.00 0.00 0.00 176.54 174.72 3had h ILE 58 N 0.50 1.27 0.58 2.60 2.04 -0.50 -1.19 117.51 122.81 3had h ILE 58 Ca 0.07 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.72 3had h ILE 58 Cb 0.70 0.92 0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3had h ILE 58 CO 0.05 0.42 -0.28 -0.08 0.00 0.00 0.00 178.15 178.26 3had h GLU 59 N 0.88 -0.76 -0.88 2.37 4.81 -1.00 0.09 114.58 120.10 3had h GLU 59 Ca 0.15 0.05 0.19 0.00 -0.13 0.00 0.00 59.36 59.62 3had h GLU 59 Cb 0.60 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 30.04 3had h GLU 59 CO 0.04 -0.48 0.42 0.93 -0.73 0.00 0.00 179.01 179.18 3had h GLU 60 N -0.84 0.49 -0.48 1.92 5.08 -1.19 0.22 114.58 119.79 3had h GLU 60 Ca -0.08 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 3had h GLU 60 Cb 0.62 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 3had h GLU 60 CO 0.13 0.32 -0.21 1.03 -1.00 0.00 0.00 179.01 179.29 3had h SER 61 N 0.51 0.99 -0.17 1.42 0.87 -0.85 -1.81 113.55 114.51 3had h SER 61 Ca 0.52 -0.37 -0.06 0.00 -1.23 0.00 0.00 61.79 60.65 3had h SER 61 Cb 0.87 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3had h SER 61 CO -0.45 1.15 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.80 3had h LEU 62 N 0.84 0.42 -1.53 2.23 3.38 0.97 -1.63 115.31 119.98 3had h LEU 62 Ca 0.11 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 3had h LEU 62 Cb 0.78 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3had h LEU 62 CO 0.06 0.78 0.22 0.03 0.09 0.00 0.00 178.44 179.62 3had h ARG 63 N 0.05 0.53 -0.52 1.13 3.08 -0.64 0.49 114.38 118.51 3had h ARG 63 Ca 0.03 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3had h ARG 63 Cb 0.65 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 3had h ARG 63 CO 0.04 0.39 -0.13 -0.22 -1.07 0.00 0.00 179.97 178.98 3had h LYS 64 N 0.54 1.00 -0.22 0.04 3.64 -1.17 0.59 116.57 120.98 3had h LYS 64 Ca 0.14 -0.38 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 3had h LYS 64 Cb 0.01 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3had h LYS 64 CO -0.02 1.06 -0.47 0.28 -2.27 0.00 0.00 179.45 178.03 3had h VAL 65 N 0.86 1.31 -0.29 2.00 2.07 -0.15 -3.21 116.25 118.85 3had h VAL 65 Ca 0.13 -1.67 -0.09 0.00 0.82 0.00 0.00 66.70 65.89 3had h VAL 65 Cb 0.70 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3had h VAL 65 CO 0.05 0.52 -0.17 0.00 0.02 0.00 0.00 177.57 177.99 3had h ALA 66 N 1.02 0.41 0.00 1.67 0.00 0.16 -0.65 119.26 121.87 3had h ALA 66 Ca 0.03 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3had h ALA 66 Cb 0.99 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3had h ALA 66 CO 0.09 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.30 3had n LYS 67 N -4.38 0.32 -0.02 0.00 4.76 0.18 -0.46 118.16 118.56 3had n LYS 67 Ca -0.03 0.02 -0.01 0.00 -2.87 0.00 0.00 58.31 55.41 3had n LYS 67 Cb 0.39 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 3had n LYS 67 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3had n LYS 68 N -1.03 3.09 0.03 1.97 5.02 -0.98 -4.22 118.16 122.03 3had n LYS 68 Ca 0.08 -0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 3had n LYS 68 Cb 0.04 -1.09 -0.14 0.00 -0.02 0.00 0.00 35.03 33.82 3had n LYS 68 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3had h LYS 69 N 0.00 0.31 -1.22 1.97 3.64 -0.69 -3.37 116.57 117.21 3had h LYS 69 Ca -0.08 -0.53 -0.65 0.00 -1.27 0.00 0.00 60.65 58.11 3had h LYS 69 Cb 1.10 0.20 -0.34 0.00 -0.41 0.00 0.00 32.23 32.78 3had h LYS 69 CO 0.00 1.25 0.26 1.19 -2.27 0.00 0.00 179.45 179.89 3had n PHE 70 N -3.61 3.08 0.29 1.91 3.01 0.40 -4.68 117.46 117.86 3had n PHE 70 Ca -0.28 -2.69 0.13 0.00 1.01 0.00 0.00 57.45 55.62 3had n PHE 70 Cb 1.03 -0.93 0.84 0.00 -0.01 0.00 0.00 39.48 40.42 3had n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3had h ALA 71 N 2.34 1.66 -0.30 4.37 0.00 -1.73 -0.21 119.26 125.38 3had h ALA 71 Ca 0.50 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3had h ALA 71 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3had h ALA 71 CO 1.25 0.00 0.00 0.39 0.00 0.00 0.00 179.25 180.89 3had n GLU 72 N -4.04 1.94 -2.76 0.00 -0.58 -1.26 -4.63 120.64 109.30 3had n GLU 72 Ca -0.03 -1.18 0.02 0.00 -0.42 0.00 0.00 57.16 55.55 3had n GLU 72 Cb 0.08 -1.37 0.01 0.00 -0.57 0.00 0.00 31.44 29.59 3had n GLU 72 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3had s ASN 73 N -0.85 -0.26 0.25 1.62 3.84 -0.09 -5.04 114.94 114.41 3had s ASN 73 Ca 0.21 -0.13 -0.04 0.00 0.21 0.00 0.00 52.86 53.12 3had s ASN 73 Cb 0.12 0.36 0.38 0.00 -0.55 0.00 0.00 41.25 41.57 3had s ASN 73 CO 0.13 -0.03 1.84 1.55 -2.79 0.00 0.00 177.10 177.80 3had h PRO 74 N 5.40 0.92 -1.00 0.43 0.13 -1.82 -2.06 132.00 134.00 3had h PRO 74 Ca -0.04 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.06 3had h PRO 74 Cb 1.24 -0.21 -0.06 0.00 0.13 0.00 0.00 31.00 32.10 3had h PRO 74 CO -0.08 0.61 0.66 -0.22 -0.23 0.00 0.00 178.00 178.73 3had h LYS 75 N 0.95 1.25 -0.08 0.86 3.64 -1.96 0.18 116.57 121.40 3had h LYS 75 Ca 0.40 -0.07 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 3had h LYS 75 Cb 0.26 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3had h LYS 75 CO -0.20 0.82 -0.37 0.00 -2.27 0.00 0.00 179.45 177.43 3had h ALA 76 N 1.40 1.22 -0.23 5.00 0.00 -1.77 -1.61 119.26 123.28 3had h ALA 76 Ca 0.39 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3had h ALA 76 Cb -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3had h ALA 76 CO -0.12 0.54 -0.18 0.78 0.00 0.00 0.00 179.25 180.27 3had h GLY 77 N 1.16 0.57 1.00 0.00 0.00 -0.44 -2.43 103.07 102.93 3had h GLY 77 Ca 0.02 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.79 3had h GLY 77 CO 0.06 0.50 0.43 -0.55 0.00 0.00 0.00 176.54 176.98 3had h ASP 78 N 0.22 0.79 -0.33 0.19 3.32 -0.39 -1.58 116.42 118.65 3had h ASP 78 Ca 0.04 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3had h ASP 78 Cb 0.71 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3had h ASP 78 CO 0.05 0.59 0.21 -0.33 -1.72 0.00 0.00 179.24 178.04 3had h GLU 79 N 0.92 0.44 -0.29 3.56 5.08 -1.28 0.53 114.58 123.53 3had h GLU 79 Ca 0.25 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.63 3had h GLU 79 Cb -0.08 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3had h GLU 79 CO -0.05 0.31 -0.06 0.35 -1.00 0.00 0.00 179.01 178.56 3had h PHE 80 N 0.43 -0.13 -0.04 4.33 3.04 -1.06 -1.15 116.94 122.36 3had h PHE 80 Ca 0.12 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3had h PHE 80 Cb -0.02 0.10 -0.00 0.00 2.56 0.00 0.00 35.95 38.59 3had h PHE 80 CO -0.05 -0.11 0.02 0.28 -2.02 0.00 0.00 178.31 176.43 3had h VAL 81 N 0.02 1.13 -0.91 1.41 2.07 -0.95 -2.71 116.25 116.30 3had h VAL 81 Ca 0.14 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.35 3had h VAL 81 Cb 0.21 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3had h VAL 81 CO -0.29 0.10 0.57 -0.33 0.02 0.00 0.00 177.57 177.65 3had h GLU 82 N -0.08 1.02 -0.45 1.57 3.07 -0.59 -0.27 114.58 118.86 3had h GLU 82 Ca 0.01 -0.06 -0.14 0.00 -0.50 0.00 0.00 59.36 58.67 3had h GLU 82 Cb 0.15 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.82 3had h GLU 82 CO -0.00 0.67 -0.29 -0.22 -1.40 0.00 0.00 179.01 177.78 3had h LYS 83 N 1.05 0.98 -0.06 2.33 3.64 -1.19 -0.63 116.57 122.69 3had h LYS 83 Ca 0.39 -0.46 -0.02 0.00 -1.27 0.00 0.00 60.65 59.30 3had h LYS 83 Cb 0.16 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3had h LYS 83 CO -0.17 1.13 -0.03 1.15 -2.27 0.00 0.00 179.45 179.26 3had h THR 84 N 0.83 1.32 -0.32 1.00 2.02 -1.14 -3.15 112.91 113.46 3had h THR 84 Ca 0.09 -1.02 -0.04 0.00 0.77 0.00 0.00 66.41 66.21 3had h THR 84 Cb 0.87 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3had h THR 84 CO 0.08 0.28 0.03 0.25 0.37 0.00 0.00 175.52 176.53 3had h LEU 85 N -0.27 0.45 -0.74 2.58 5.85 -1.06 -2.53 115.31 119.59 3had h LEU 85 Ca 0.01 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3had h LEU 85 Cb 0.46 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3had h LEU 85 CO 0.01 0.49 0.00 0.77 -0.34 0.00 0.00 178.44 179.37 3had h SER 86 N 0.47 0.00 -0.46 1.25 4.64 -1.11 -2.87 113.55 115.48 3had h SER 86 Ca 0.11 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.37 3had h SER 86 Cb 0.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.31 3had h SER 86 CO 0.00 0.00 0.08 0.35 -0.87 0.00 0.00 176.83 176.39 3had n THR 87 N -2.78 2.07 -3.95 2.95 -2.24 -0.95 -4.69 114.28 104.68 3had n THR 87 Ca 0.02 -1.06 -0.31 0.00 -2.27 0.00 0.00 64.05 60.44 3had n THR 87 Cb 0.36 -0.39 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 3had n THR 87 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3had s ILE 88 N -2.27 2.05 0.70 2.28 1.01 -1.08 -1.43 121.20 122.46 3had s ILE 88 Ca 0.39 -2.32 -0.06 0.00 0.00 0.00 0.00 60.65 58.66 3had s ILE 88 Cb 0.30 -2.51 0.07 0.00 0.01 0.00 0.00 42.46 40.34 3had s ILE 88 CO 0.11 -0.65 1.01 0.00 0.00 0.00 0.00 174.94 175.40 3had s ALA 89 N 0.85 3.21 0.00 9.38 0.00 0.54 -4.89 121.76 130.84 3had s ALA 89 Ca 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3had s ALA 89 Cb -0.20 -2.53 -0.00 0.00 0.00 0.00 0.00 23.12 20.39 3had s ALA 89 CO -0.10 -1.31 -0.01 0.95 0.00 0.00 0.00 175.76 175.29 3had s THR 90 N -3.23 0.11 0.00 0.00 -4.23 -1.26 -0.78 115.64 106.26 3had s THR 90 Ca 0.61 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 3had s THR 90 Cb -0.10 -0.11 0.00 0.00 1.34 0.00 0.00 72.50 73.63 3had s THR 90 CO 0.44 -0.00 0.14 -0.44 -0.54 0.00 0.00 174.62 174.22 3had s SER 91 N -0.12 0.03 0.05 3.99 0.01 -0.68 -4.94 113.70 112.04 3had s SER 91 Ca -0.00 -0.20 0.24 0.00 1.31 0.00 0.00 55.95 57.30 3had s SER 91 Cb -0.01 0.21 0.36 0.00 0.21 0.00 0.00 66.02 66.78 3had s SER 91 CO -0.00 -0.36 1.30 0.35 0.41 0.00 0.00 173.24 174.94 3had n THR 92 N 1.48 0.15 -3.84 1.44 -2.24 -1.26 -3.05 114.28 106.97 3had n THR 92 Ca -0.23 -0.14 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 3had n THR 92 Cb 0.56 0.13 -0.16 0.00 -2.10 0.00 0.00 70.33 68.75 3had n THR 92 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3had s ASP 93 N -3.58 3.54 0.45 3.42 -1.08 -1.26 -4.63 116.67 113.53 3had s ASP 93 Ca 0.08 -1.13 0.12 0.00 -0.52 0.00 0.00 52.55 51.11 3had s ASP 93 Cb 0.16 -0.93 1.04 0.00 -1.46 0.00 0.00 42.92 41.73 3had s ASP 93 CO 0.73 -0.29 2.06 0.00 0.52 0.00 0.00 175.17 178.19 3had h ALA 94 N 8.07 1.90 -0.21 3.66 0.00 -1.96 -1.56 119.26 129.16 3had h ALA 94 Ca -0.16 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3had h ALA 94 Cb 1.08 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3had h ALA 94 CO 0.39 0.05 0.25 0.00 0.00 0.00 0.00 179.25 179.93 3had h ALA 95 N 1.80 1.83 0.00 0.00 0.00 -1.96 -0.25 119.26 120.67 3had h ALA 95 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3had h ALA 95 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3had h ALA 95 CO -0.03 -0.36 0.00 -1.13 0.00 0.00 0.00 179.25 177.73 3had n SER 96 N -3.74 0.43 0.00 0.00 3.41 -0.59 -4.14 113.62 109.00 3had n SER 96 Ca 0.02 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 3had n SER 96 Cb 0.37 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 3had n SER 96 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3had n VAL 97 N -1.92 0.00 0.37 -3.33 0.24 -0.17 -4.80 118.33 108.72 3had n VAL 97 Ca 0.05 -0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.21 3had n VAL 97 Cb 0.35 0.95 0.53 0.00 -1.47 0.00 0.00 33.84 34.19 3had n VAL 97 CO 0.00 0.00 0.00 -0.37 -2.14 0.00 0.00 176.83 174.32 3had h VAL 98 N 0.00 0.00 0.00 3.34 -1.51 -1.55 -2.84 116.25 113.70 3had h VAL 98 Ca 0.00 -0.42 0.00 0.00 -1.23 0.00 0.00 66.70 65.05 3had h VAL 98 Cb 0.00 1.29 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 3had h VAL 98 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 177.57 177.91 3had n HIS 99 N -2.61 0.74 -1.45 5.19 -0.00 -1.20 -2.01 115.22 113.88 3had n HIS 99 Ca 0.02 0.35 0.06 0.00 0.46 0.00 0.00 57.72 58.61 3had n HIS 99 Cb 0.30 -1.06 0.09 0.00 -0.12 0.00 0.00 29.99 29.20 3had n HIS 99 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 3had n SER 100 N -2.23 1.48 -4.92 0.26 3.41 -1.07 -4.02 113.62 106.54 3had n SER 100 Ca -0.00 -2.73 -0.24 0.00 -0.26 0.00 0.00 58.87 55.64 3had n SER 100 Cb 0.10 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.67 3had n SER 100 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3had s THR 101 N -1.84 5.08 -0.13 6.66 -1.32 -0.85 -4.92 115.64 118.32 3had s THR 101 Ca 0.22 -0.93 0.19 0.00 -1.21 0.00 0.00 61.69 59.95 3had s THR 101 Cb 0.19 -3.67 -0.25 0.00 -1.51 0.00 0.00 72.50 67.26 3had s THR 101 CO 0.01 -0.20 0.37 0.47 -2.21 0.00 0.00 174.62 173.05 3had n ASP 102 N -0.88 0.21 -3.72 8.08 8.00 0.13 -4.52 116.55 123.85 3had n ASP 102 Ca -0.08 0.09 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 3had n ASP 102 Cb 0.56 1.07 -0.10 0.00 -0.02 0.00 0.00 41.12 42.63 3had n ASP 102 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3had s LEU 103 N -5.29 0.30 -0.17 0.64 2.96 -0.96 -2.15 118.68 114.02 3had s LEU 103 Ca -0.08 0.85 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3had s LEU 103 Cb 0.09 1.41 -0.02 0.00 0.50 0.00 0.00 46.19 48.17 3had s LEU 103 CO 0.85 -0.16 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.99 3had s VAL 104 N 0.47 3.72 -0.23 1.68 1.01 0.11 -0.00 120.40 127.16 3had s VAL 104 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.55 3had s VAL 104 Cb -0.04 -2.64 0.03 0.00 0.00 0.00 0.00 36.38 33.73 3had s VAL 104 CO -0.02 0.47 -0.11 -0.69 0.00 0.00 0.00 175.10 174.75 3had s VAL 105 N 0.66 2.50 -0.22 2.92 1.01 0.12 -0.58 120.40 126.81 3had s VAL 105 Ca -0.03 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 3had s VAL 105 Cb -0.15 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3had s VAL 105 CO 0.02 0.24 0.13 -0.70 0.00 0.00 0.00 175.10 174.80 3had s GLU 106 N 1.27 4.10 -0.37 2.72 -6.30 0.60 -1.00 118.70 119.72 3had s GLU 106 Ca -0.01 -0.26 0.12 0.00 -2.50 0.00 0.00 54.97 52.32 3had s GLU 106 Cb -0.16 -3.44 0.35 0.00 0.00 0.00 0.00 34.13 30.88 3had s GLU 106 CO -0.07 0.19 0.73 0.00 0.02 0.00 0.00 175.26 176.13 3had n ALA 107 N 3.88 2.01 -3.26 6.30 0.00 0.99 -0.48 120.51 129.95 3had n ALA 107 Ca -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 53.44 49.89 3had n ALA 107 Cb 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3had n ALA 107 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3had n ILE 108 N 0.28 0.00 -1.44 0.00 -5.35 -1.23 -4.41 119.36 107.20 3had n ILE 108 Ca 0.25 0.00 -0.47 0.00 -0.27 0.00 0.00 62.75 62.26 3had n ILE 108 Cb 0.66 -0.65 -0.03 0.00 -1.74 0.00 0.00 39.64 37.88 3had n ILE 108 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 3had n VAL 109 N -0.60 1.97 -2.10 7.28 0.31 -1.26 -4.80 118.33 119.13 3had n VAL 109 Ca 0.00 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.41 3had n VAL 109 Cb 0.00 -0.23 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3had n VAL 109 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3had n GLU 110 N 0.94 3.18 -3.66 5.55 4.07 -1.26 -4.76 120.64 124.69 3had n GLU 110 Ca 0.16 -3.06 -0.20 0.00 -0.06 0.00 0.00 57.16 53.99 3had n GLU 110 Cb 0.27 -3.18 -0.18 0.00 -0.06 0.00 0.00 31.44 28.30 3had n GLU 110 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 3had s ASN 111 N 2.52 1.21 0.13 4.31 3.84 -1.26 -5.07 114.94 120.63 3had s ASN 111 Ca 0.45 0.04 -0.24 0.00 0.21 0.00 0.00 52.86 53.32 3had s ASN 111 Cb 0.10 -0.12 -0.02 0.00 -0.55 0.00 0.00 41.25 40.66 3had s ASN 111 CO -0.03 -0.26 1.64 0.25 -2.79 0.00 0.00 177.10 175.91 3had h LEU 112 N 8.43 -0.71 -0.59 3.21 5.85 -2.00 -2.27 115.31 127.24 3had h LEU 112 Ca -0.12 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.78 3had h LEU 112 Cb 1.12 0.31 -0.06 0.00 0.37 0.00 0.00 40.66 42.41 3had h LEU 112 CO 0.16 -0.28 0.26 0.11 -0.34 0.00 0.00 178.44 178.35 3had h LYS 113 N -0.30 0.47 -0.31 1.25 1.57 -1.98 -0.56 116.57 116.71 3had h LYS 113 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3had h LYS 113 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3had h LYS 113 CO -0.29 0.31 0.18 0.28 -0.57 0.00 0.00 179.45 179.37 3had h VAL 114 N 0.49 1.11 -0.73 0.50 2.07 -1.89 -1.05 116.25 116.75 3had h VAL 114 Ca 0.28 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3had h VAL 114 Cb 0.27 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3had h VAL 114 CO -0.23 0.11 0.38 0.11 0.02 0.00 0.00 177.57 177.96 3had h LYS 115 N 0.40 1.04 -0.55 1.57 1.57 -1.01 -0.83 116.57 118.76 3had h LYS 115 Ca 0.11 -0.14 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 3had h LYS 115 Cb 0.02 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 3had h LYS 115 CO -0.02 0.80 -0.03 -0.91 -0.57 0.00 0.00 179.45 178.72 3had h ASN 116 N 1.02 0.97 -0.67 0.86 2.35 -0.85 -0.56 115.58 118.70 3had h ASN 116 Ca 0.26 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.68 3had h ASN 116 Cb 0.08 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3had h ASN 116 CO -0.04 1.06 0.40 -0.08 -1.65 0.00 0.00 177.43 177.12 3had h GLU 117 N 0.86 0.92 0.63 0.81 4.81 -0.93 0.79 114.58 122.47 3had h GLU 117 Ca 0.15 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3had h GLU 117 Cb 0.57 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 3had h GLU 117 CO 0.03 0.67 -0.51 1.25 -0.73 0.00 0.00 179.01 179.72 3had h LEU 118 N 0.92 -1.35 -1.32 1.64 5.85 -0.68 -2.74 115.31 117.63 3had h LEU 118 Ca 0.24 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.99 3had h LEU 118 Cb -0.01 0.43 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3had h LEU 118 CO -0.04 -0.71 -0.27 -0.26 -0.34 0.00 0.00 178.44 176.81 3had h PHE 119 N -1.10 0.11 -0.59 1.25 0.04 -0.93 -1.63 116.94 114.10 3had h PHE 119 Ca -0.08 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 3had h PHE 119 Cb 0.92 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 39.02 3had h PHE 119 CO -0.20 0.37 0.32 -0.22 -0.60 0.00 0.00 178.31 177.98 3had h LYS 120 N 0.09 0.82 -0.02 1.51 3.64 -0.78 -0.64 116.57 121.19 3had h LYS 120 Ca 0.01 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 3had h LYS 120 Cb 0.54 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3had h LYS 120 CO 0.04 0.63 -0.04 -0.09 -2.27 0.00 0.00 179.45 177.72 3had h ARG 121 N 0.80 0.07 -0.46 1.90 2.43 -1.22 -3.20 114.38 114.70 3had h ARG 121 Ca 0.21 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3had h ARG 121 Cb 0.05 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 3had h ARG 121 CO -0.03 0.59 0.31 -0.07 -1.51 0.00 0.00 179.97 179.25 3had h LEU 122 N -0.44 0.32 -1.65 3.80 3.38 -1.21 -1.47 115.31 118.04 3had h LEU 122 Ca 0.00 0.00 0.28 0.00 0.09 0.00 0.00 57.88 58.25 3had h LEU 122 Cb 0.58 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3had h LEU 122 CO 0.01 0.21 0.71 -0.78 0.09 0.00 0.00 178.44 178.68 3had h ASP 123 N 0.37 0.25 1.16 -0.43 3.58 -1.10 -0.11 116.42 120.13 3had h ASP 123 Ca 0.20 0.04 -0.13 0.00 0.42 0.00 0.00 57.03 57.56 3had h ASP 123 Cb 0.32 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 3had h ASP 123 CO -0.05 0.06 -0.61 0.11 -2.88 0.00 0.00 179.24 175.87 3had h LYS 124 N 0.22 0.00 0.01 0.28 1.57 -1.40 -3.34 116.57 113.93 3had h LYS 124 Ca 0.55 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.99 3had h LYS 124 Cb 1.71 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.96 3had h LYS 124 CO -0.16 0.61 -2.06 0.54 -0.57 0.00 0.00 179.45 177.81 3had n ARG 125 N -3.37 0.67 -1.89 3.15 3.00 -0.19 -4.99 116.66 113.05 3had n ARG 125 Ca 0.01 0.17 -0.40 0.00 -0.01 0.00 0.00 57.85 57.62 3had n ARG 125 Cb 0.73 -1.66 0.00 0.00 0.00 0.00 0.00 32.46 31.53 3had n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3had s ALA 126 N -2.55 3.37 0.84 7.54 0.00 -0.43 -3.27 121.76 127.27 3had s ALA 126 Ca -0.11 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.15 3had s ALA 126 Cb 0.07 -3.56 0.08 0.00 0.00 0.00 0.00 23.12 19.71 3had s ALA 126 CO 0.80 -1.02 1.06 0.00 0.00 0.00 0.00 175.76 176.60 3had n ALA 127 N 0.17 -0.57 -0.22 0.00 0.00 -1.19 -4.87 120.51 113.83 3had n ALA 127 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 53.44 53.14 3had n ALA 127 Cb 0.41 -2.16 0.34 0.00 0.00 0.00 0.00 19.45 18.04 3had n ALA 127 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3had h GLU 128 N -1.14 0.76 -0.00 0.00 5.08 -1.93 -2.11 114.58 115.24 3had h GLU 128 Ca -0.45 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3had h GLU 128 Cb 1.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3had h GLU 128 CO 0.43 0.50 -0.17 -2.39 -1.00 0.00 0.00 179.01 176.38 3had n HIS 129 N -4.50 0.00 -1.80 4.33 1.44 -1.26 -4.91 115.22 108.53 3had n HIS 129 Ca 0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.42 3had n HIS 129 Cb 0.28 -0.27 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 3had n HIS 129 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 3had s THR 130 N -2.72 2.21 -0.06 0.61 2.01 -0.80 -4.97 115.64 111.93 3had s THR 130 Ca 0.21 0.15 -0.09 0.00 0.31 0.00 0.00 61.69 62.28 3had s THR 130 Cb 0.19 -3.10 -0.05 0.00 0.01 0.00 0.00 72.50 69.56 3had s THR 130 CO 0.54 0.01 0.24 -0.63 -0.69 0.00 0.00 174.62 174.09 3had s ILE 131 N 0.99 5.34 -0.10 1.82 1.01 -0.91 -4.92 121.20 124.43 3had s ILE 131 Ca 0.72 0.35 -0.00 0.00 0.00 0.00 0.00 60.65 61.72 3had s ILE 131 Cb -0.48 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 3had s ILE 131 CO 0.34 0.55 -0.08 -0.36 0.00 0.00 0.00 174.94 175.38 3had s PHE 132 N -1.11 2.90 -0.00 3.97 0.08 0.50 -0.71 117.98 123.61 3had s PHE 132 Ca 0.20 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 3had s PHE 132 Cb -0.13 -1.80 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 3had s PHE 132 CO 0.09 0.09 0.01 0.00 -0.10 0.00 0.00 175.22 175.31 3had s ALA 133 N -0.22 -0.03 -0.06 5.36 0.00 0.25 -1.68 121.76 125.38 3had s ALA 133 Ca 0.02 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3had s ALA 133 Cb -0.13 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 3had s ALA 133 CO 0.03 -0.04 -0.14 0.45 0.00 0.00 0.00 175.76 176.06 3had s SER 134 N -0.26 4.05 -0.08 0.00 0.15 -0.96 -0.29 113.70 116.31 3had s SER 134 Ca -0.03 -0.21 0.13 0.00 0.70 0.00 0.00 55.95 56.54 3had s SER 134 Cb -0.02 -0.98 0.50 0.00 -1.71 0.00 0.00 66.02 63.81 3had s SER 134 CO -0.00 0.32 1.36 -3.20 1.20 0.00 0.00 173.24 172.92 3had n ASN 135 N 2.50 3.45 -4.72 5.45 5.15 0.37 -1.20 115.26 126.26 3had n ASN 135 Ca -0.17 -2.31 -0.43 0.00 -0.60 0.00 0.00 54.58 51.07 3had n ASN 135 Cb 0.52 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.27 3had n ASN 135 CO 0.00 0.00 0.00 1.07 1.40 0.00 0.00 177.26 179.73 3had n THR 136 N 0.71 0.90 -0.01 -0.44 5.66 -1.26 -4.71 114.28 115.13 3had n THR 136 Ca 0.18 -0.22 -0.08 0.00 -3.05 0.00 0.00 64.05 60.87 3had n THR 136 Cb 0.66 -1.84 -0.14 0.00 -1.55 0.00 0.00 70.33 67.46 3had n THR 136 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3had h SER 137 N 4.84 0.00 0.00 1.09 0.02 -1.99 -3.42 113.55 114.09 3had h SER 137 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3had h SER 137 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3had h SER 137 CO 0.80 0.99 0.00 -1.54 -1.14 0.00 0.00 176.83 175.94 3had n SER 138 N -3.07 0.48 -4.95 3.07 3.41 -1.26 -4.33 113.62 106.98 3had n SER 138 Ca -0.15 -0.74 -0.25 0.00 -0.26 0.00 0.00 58.87 57.47 3had n SER 138 Cb 1.04 0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 65.44 3had n SER 138 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3had s LEU 139 N -0.96 4.23 -0.22 1.04 1.43 -1.26 -4.91 118.68 118.03 3had s LEU 139 Ca 0.00 0.28 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 3had s LEU 139 Cb 0.00 -3.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.15 3had s LEU 139 CO 0.00 -0.09 1.21 -1.10 0.23 0.00 0.00 176.35 176.60 3had s GLN 140 N -3.71 4.17 0.25 1.70 -0.21 -1.26 -4.90 119.66 115.69 3had s GLN 140 Ca 0.37 1.47 -0.03 0.00 0.02 0.00 0.00 55.36 57.19 3had s GLN 140 Cb -0.10 -3.76 0.46 0.00 1.00 0.00 0.00 33.01 30.61 3had s GLN 140 CO 0.30 -0.78 1.76 0.82 -2.12 0.00 0.00 175.29 175.28 3had h ILE 141 N 5.59 0.76 -0.84 1.08 1.08 -1.96 -0.17 117.51 123.05 3had h ILE 141 Ca -0.24 -0.21 0.12 0.00 -0.39 0.00 0.00 64.86 64.15 3had h ILE 141 Cb 1.09 0.11 -0.09 0.00 -3.07 0.00 0.00 36.82 34.86 3had h ILE 141 CO 0.99 0.11 0.45 0.74 -0.69 0.00 0.00 178.15 179.75 3had h THR 142 N 0.60 0.81 -0.39 -0.27 2.02 -1.93 0.22 112.91 113.96 3had h THR 142 Ca 0.42 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 67.34 3had h THR 142 Cb 0.56 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 3had h THR 142 CO -0.34 0.13 0.14 0.28 0.37 0.00 0.00 175.52 176.10 3had h SER 143 N 0.70 0.56 -0.32 4.18 0.02 -1.43 -2.03 113.55 115.22 3had h SER 143 Ca 0.44 -0.19 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 3had h SER 143 Cb 0.53 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 3had h SER 143 CO -0.31 0.60 -0.27 0.40 -1.14 0.00 0.00 176.83 176.11 3had h ILE 144 N 0.49 1.27 -0.72 3.27 2.04 -0.83 -3.13 117.51 119.91 3had h ILE 144 Ca 0.13 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.58 3had h ILE 144 Cb 0.23 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 37.53 3had h ILE 144 CO -0.01 0.47 0.46 0.00 0.00 0.00 0.00 178.15 179.08 3had h ALA 145 N 0.98 0.91 0.00 1.87 0.00 -0.42 -1.99 119.26 120.61 3had h ALA 145 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3had h ALA 145 Cb 0.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3had h ALA 145 CO 0.07 0.34 0.00 0.09 0.00 0.00 0.00 179.25 179.75 3had n ASN 146 N -4.57 0.00 -0.30 0.00 3.02 -0.78 -0.97 115.26 111.66 3had n ASN 146 Ca 0.06 -0.54 0.14 0.00 -0.03 0.00 0.00 54.58 54.21 3had n ASN 146 Cb 0.03 0.00 0.66 0.00 -0.61 0.00 0.00 39.78 39.86 3had n ASN 146 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3had n ALA 147 N -0.91 2.61 -4.24 5.41 0.00 -0.75 -4.85 120.51 117.78 3had n ALA 147 Ca 0.09 -0.35 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 3had n ALA 147 Cb 0.04 -1.29 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 3had n ALA 147 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3had n THR 148 N -0.26 0.00 -1.73 0.00 -2.24 -0.14 -3.86 114.28 106.05 3had n THR 148 Ca 0.20 -2.01 0.04 0.00 -2.27 0.00 0.00 64.05 60.01 3had n THR 148 Cb 0.25 0.80 0.18 0.00 -2.10 0.00 0.00 70.33 69.46 3had n THR 148 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3had n THR 149 N -0.71 1.99 -1.81 4.28 -2.24 -1.26 -4.61 114.28 109.91 3had n THR 149 Ca -0.02 -3.06 0.04 0.00 -2.27 0.00 0.00 64.05 58.74 3had n THR 149 Cb 0.51 -0.15 0.16 0.00 -2.10 0.00 0.00 70.33 68.76 3had n THR 149 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3had n ARG 150 N -0.92 1.38 -0.06 -0.78 0.63 -1.26 -4.87 116.66 110.78 3had n ARG 150 Ca 0.19 -3.10 0.12 0.00 -0.92 0.00 0.00 57.85 54.14 3had n ARG 150 Cb 0.76 -1.34 0.52 0.00 0.45 0.00 0.00 32.46 32.85 3had n ARG 150 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3had h GLN 151 N 1.08 0.35 0.00 -0.14 7.50 -1.81 0.85 115.11 122.93 3had h GLN 151 Ca -0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 3had h GLN 151 Cb 1.20 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 28.65 3had h GLN 151 CO 0.06 0.23 -0.07 0.38 -1.50 0.00 0.00 178.83 177.93 3had h ASP 152 N 0.36 0.00 -0.42 1.46 2.03 -1.90 -2.49 116.42 115.46 3had h ASP 152 Ca 0.26 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.37 3had h ASP 152 Cb 0.56 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 38.95 3had h ASP 152 CO -0.07 0.07 0.02 0.54 -1.03 0.00 0.00 179.24 178.77 3had n ARG 153 N -3.25 2.06 -4.70 4.15 1.74 0.27 -1.28 116.66 115.64 3had n ARG 153 Ca -0.00 -3.12 -0.24 0.00 -0.77 0.00 0.00 57.85 53.72 3had n ARG 153 Cb 0.29 -1.87 -0.15 0.00 -1.02 0.00 0.00 32.46 29.71 3had n ARG 153 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3had s PHE 154 N -3.20 1.51 0.27 -1.55 2.19 -0.94 -0.37 117.98 115.89 3had s PHE 154 Ca 0.46 -0.31 -0.19 0.00 0.33 0.00 0.00 56.93 57.22 3had s PHE 154 Cb 0.41 -0.95 0.07 0.00 -1.31 0.00 0.00 43.02 41.24 3had s PHE 154 CO 0.02 0.00 0.94 0.00 1.83 0.00 0.00 175.22 178.02 3had n ALA 155 N 2.42 -2.35 -2.74 11.12 0.00 -0.68 -4.41 120.51 123.86 3had n ALA 155 Ca -0.15 -1.13 -0.34 0.00 0.00 0.00 0.00 53.44 51.82 3had n ALA 155 Cb 0.54 0.75 -0.08 0.00 0.00 0.00 0.00 19.45 20.66 3had n ALA 155 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3had s GLY 156 N -3.31 1.96 -0.36 0.00 0.00 0.01 -2.26 107.32 103.35 3had s GLY 156 Ca 0.20 -0.86 -0.00 0.00 0.00 0.00 0.00 44.72 44.07 3had s GLY 156 CO 0.08 -0.70 0.17 -2.27 0.00 0.00 0.00 173.10 170.39 3had s LEU 157 N -1.45 1.90 -0.36 0.66 2.96 -0.34 -0.09 118.68 121.95 3had s LEU 157 Ca 0.19 -2.05 -0.15 0.00 -0.22 0.00 0.00 54.13 51.90 3had s LEU 157 Cb -0.12 -0.75 -0.00 0.00 0.50 0.00 0.00 46.19 45.82 3had s LEU 157 CO 0.10 -0.35 0.37 -2.28 -1.32 0.00 0.00 176.35 172.87 3had s HIS 158 N 1.14 3.20 0.60 5.38 5.65 -0.02 -3.83 115.29 127.42 3had s HIS 158 Ca 0.14 -0.15 0.09 0.00 0.25 0.00 0.00 55.06 55.39 3had s HIS 158 Cb -0.21 -2.70 0.10 0.00 -1.18 0.00 0.00 32.58 28.59 3had s HIS 158 CO -0.12 -0.50 0.83 -0.06 -0.65 0.00 0.00 174.74 174.24 3had s PHE 159 N 2.00 1.24 0.01 3.88 0.40 -1.26 -0.89 117.98 123.36 3had s PHE 159 Ca 0.11 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 55.72 3had s PHE 159 Cb -0.17 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.12 3had s PHE 159 CO 0.12 -1.28 -0.07 -0.06 0.70 0.00 0.00 175.22 174.63 3had s PHE 160 N -2.73 0.66 0.11 0.36 0.40 -1.26 -4.97 117.98 110.54 3had s PHE 160 Ca 0.63 -0.25 -0.26 0.00 -0.60 0.00 0.00 56.93 56.44 3had s PHE 160 Cb -0.05 -0.41 -0.07 0.00 0.51 0.00 0.00 43.02 43.00 3had s PHE 160 CO 0.40 -0.03 0.81 1.21 0.70 0.00 0.00 175.22 178.31 3had s ASN 161 N -0.70 7.35 0.02 1.36 2.47 -1.26 -2.01 114.94 122.16 3had s ASN 161 Ca -0.02 1.61 -0.29 0.00 0.42 0.00 0.00 52.86 54.58 3had s ASN 161 Cb -0.05 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.20 3had s ASN 161 CO 0.00 0.08 0.95 -2.16 -3.72 0.00 0.00 177.10 172.25 3had s PRO 162 N -0.51 4.58 0.24 0.43 0.04 -1.26 -4.84 135.00 133.67 3had s PRO 162 Ca 0.39 1.37 -0.06 0.00 0.04 0.00 0.00 61.00 62.75 3had s PRO 162 Cb -0.22 -3.44 0.37 0.00 0.04 0.00 0.00 34.50 31.25 3had s PRO 162 CO 0.26 0.03 1.80 0.28 0.04 0.00 0.00 177.00 179.41 3had h VAL 163 N 4.59 0.88 0.00 -0.36 2.07 -1.71 0.09 116.25 121.81 3had h VAL 163 Ca -0.42 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3had h VAL 163 Cb 1.22 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3had h VAL 163 CO 0.74 0.13 0.00 -0.65 0.02 0.00 0.00 177.57 177.81 3had h PRO 164 N 0.70 0.00 0.00 1.57 0.11 -1.86 -3.29 132.00 129.24 3had h PRO 164 Ca 0.37 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.27 3had h PRO 164 Cb 0.36 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.44 3had h PRO 164 CO -0.25 0.00 -1.63 0.28 -0.21 0.00 0.00 178.00 176.18 3had n VAL 165 N -2.54 1.33 -1.80 3.15 0.31 -0.15 -4.95 118.33 113.70 3had n VAL 165 Ca -0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 64.34 63.80 3had n VAL 165 Cb 0.10 -1.98 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 3had n VAL 165 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3had s MET 166 N -2.56 4.16 0.07 5.55 -1.94 -0.24 -4.90 119.30 119.44 3had s MET 166 Ca -0.28 2.51 0.25 0.00 -1.71 0.00 0.00 55.69 56.46 3had s MET 166 Cb 0.08 -3.37 0.44 0.00 2.01 0.00 0.00 34.83 33.99 3had s MET 166 CO 0.38 -0.76 1.38 1.63 -0.01 0.00 0.00 175.02 177.64 3had n LYS 167 N 4.88 0.18 -3.00 2.03 4.76 -1.26 -4.85 118.16 120.90 3had n LYS 167 Ca 0.16 0.05 -0.33 0.00 -2.87 0.00 0.00 58.31 55.32 3had n LYS 167 Cb 0.38 -1.61 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 3had n LYS 167 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3had s LEU 168 N -3.75 4.03 -0.12 -0.35 2.96 -1.26 -0.10 118.68 120.09 3had s LEU 168 Ca 0.08 1.47 -0.06 0.00 -0.22 0.00 0.00 54.13 55.40 3had s LEU 168 Cb 0.15 -4.24 0.05 0.00 0.50 0.00 0.00 46.19 42.65 3had s LEU 168 CO 0.71 -0.25 0.28 0.54 -1.32 0.00 0.00 176.35 176.30 3had s VAL 169 N -2.03 -0.06 -0.26 1.68 0.11 -1.11 -4.33 120.40 114.39 3had s VAL 169 Ca 0.57 0.15 -0.14 0.00 -2.93 0.00 0.00 61.98 59.63 3had s VAL 169 Cb -0.10 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 3had s VAL 169 CO 0.16 0.06 0.31 -1.61 -3.33 0.00 0.00 175.10 170.69 3had s GLU 170 N 1.37 4.03 -0.44 1.54 2.02 -0.07 -1.69 118.70 125.46 3had s GLU 170 Ca -0.09 -0.06 -0.19 0.00 0.02 0.00 0.00 54.97 54.66 3had s GLU 170 Cb -0.10 -3.63 0.03 0.00 0.10 0.00 0.00 34.13 30.53 3had s GLU 170 CO -0.09 -0.18 0.55 0.08 0.02 0.00 0.00 175.26 175.63 3had s VAL 171 N 1.77 4.96 -0.25 2.63 1.01 0.56 -0.84 120.40 130.25 3had s VAL 171 Ca 0.13 -0.22 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 3had s VAL 171 Cb -0.15 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 3had s VAL 171 CO 0.09 -0.56 0.30 -0.63 0.00 0.00 0.00 175.10 174.31 3had s ILE 172 N 2.47 5.24 -0.17 2.22 -1.09 0.87 -2.97 121.20 127.77 3had s ILE 172 Ca 0.16 0.46 -0.06 0.00 -2.23 0.00 0.00 60.65 58.98 3had s ILE 172 Cb -0.16 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.04 3had s ILE 172 CO 0.15 0.24 0.03 -0.75 -1.23 0.00 0.00 174.94 173.38 3had s LYS 173 N 1.58 3.88 0.55 2.79 2.20 -1.12 -0.81 119.74 128.80 3had s LYS 173 Ca 0.13 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 3had s LYS 173 Cb -0.15 -3.12 0.03 0.00 -1.51 0.00 0.00 37.83 33.08 3had s LYS 173 CO 0.08 0.26 0.78 0.95 -0.36 0.00 0.00 175.35 177.06 3had s THR 174 N 0.38 2.66 -0.17 3.43 -4.23 -1.26 -3.10 115.64 113.35 3had s THR 174 Ca 0.01 -0.66 0.23 0.00 -1.18 0.00 0.00 61.69 60.08 3had s THR 174 Cb -0.13 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.94 3had s THR 174 CO 0.01 0.00 1.70 -0.65 -0.54 0.00 0.00 174.62 175.14 3had h PRO 175 N 0.06 0.00 0.00 3.99 0.11 -1.98 -2.41 132.00 131.78 3had h PRO 175 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3had h PRO 175 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3had h PRO 175 CO 0.52 0.00 -1.72 -1.33 -0.21 0.00 0.00 178.00 175.26 3had n MET 176 N -2.30 0.55 -1.74 1.05 2.81 -1.26 -4.96 117.12 111.28 3had n MET 176 Ca -0.01 -0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.33 3had n MET 176 Cb 0.05 -1.55 -0.02 0.00 -0.71 0.00 0.00 33.22 30.99 3had n MET 176 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 3had n THR 177 N -2.20 0.96 -2.40 2.03 -1.04 -0.91 -3.67 114.28 107.06 3had n THR 177 Ca -0.02 -0.24 -0.31 0.00 -2.04 0.00 0.00 64.05 61.44 3had n THR 177 Cb 0.53 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 3had n THR 177 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3had s SER 178 N 0.52 6.45 0.34 8.00 1.04 -0.41 -4.87 113.70 124.78 3had s SER 178 Ca 0.65 1.35 0.03 0.00 0.48 0.00 0.00 55.95 58.45 3had s SER 178 Cb -0.51 -2.42 0.62 0.00 0.10 0.00 0.00 66.02 63.81 3had s SER 178 CO 0.48 -0.62 1.96 -0.61 0.98 0.00 0.00 173.24 175.43 3had h GLN 179 N 0.59 0.73 -0.56 4.02 5.75 -1.93 -0.15 115.11 123.56 3had h GLN 179 Ca -0.46 -0.08 -0.00 0.00 -0.15 0.00 0.00 58.65 57.95 3had h GLN 179 Cb 1.19 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 29.57 3had h GLN 179 CO 0.62 0.56 0.33 -0.22 -2.65 0.00 0.00 178.83 177.48 3had h LYS 180 N 0.74 0.76 -0.40 1.69 3.64 -1.93 0.18 116.57 121.25 3had h LYS 180 Ca 0.19 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3had h LYS 180 Cb 0.06 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 3had h LYS 180 CO -0.03 0.55 0.05 1.15 -2.27 0.00 0.00 179.45 178.90 3had h THR 181 N 0.75 1.25 0.24 1.00 2.02 -1.58 -2.31 112.91 114.27 3had h THR 181 Ca 0.20 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.48 3had h THR 181 Cb -0.01 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3had h THR 181 CO -0.04 0.31 -0.17 0.15 0.37 0.00 0.00 175.52 176.14 3had h PHE 182 N 0.51 -0.44 -0.80 3.16 3.57 -0.54 -2.54 116.94 119.86 3had h PHE 182 Ca 0.12 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3had h PHE 182 Cb 0.39 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.25 3had h PHE 182 CO 0.03 -0.26 0.53 0.93 -2.23 0.00 0.00 178.31 177.30 3had h GLU 183 N -0.41 0.98 -0.38 1.11 5.08 -0.63 -1.52 114.58 118.82 3had h GLU 183 Ca -0.02 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3had h GLU 183 Cb 0.35 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3had h GLU 183 CO 0.00 0.65 -0.04 1.03 -1.00 0.00 0.00 179.01 179.65 3had h SER 184 N 1.01 0.59 0.31 1.42 0.87 -1.19 0.13 113.55 116.70 3had h SER 184 Ca 0.31 -0.14 -0.21 0.00 -1.23 0.00 0.00 61.79 60.53 3had h SER 184 Cb 0.00 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3had h SER 184 CO -0.09 0.69 -0.86 -0.07 -0.53 0.00 0.00 176.83 175.98 3had h LEU 185 N 0.58 0.51 -0.08 2.23 3.38 -1.00 0.02 115.31 120.95 3had h LEU 185 Ca 0.11 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3had h LEU 185 Cb 0.44 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3had h LEU 185 CO 0.02 1.16 0.04 0.58 0.09 0.00 0.00 178.44 180.33 3had h VAL 186 N 0.25 1.11 -0.46 1.22 2.07 -0.94 0.22 116.25 119.73 3had h VAL 186 Ca -0.06 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.18 3had h VAL 186 Cb 1.47 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 32.38 3had h VAL 186 CO 0.15 0.10 0.18 0.44 0.02 0.00 0.00 177.57 178.46 3had h ASP 187 N 0.01 0.22 -0.80 0.57 3.32 -0.88 -1.00 116.42 117.85 3had h ASP 187 Ca 0.03 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.14 3had h ASP 187 Cb 0.12 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.65 3had h ASP 187 CO -0.00 0.16 0.53 0.15 -1.72 0.00 0.00 179.24 178.35 3had h PHE 188 N 0.37 1.00 -0.38 4.55 3.57 -0.75 0.87 116.94 126.18 3had h PHE 188 Ca 0.21 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.76 3had h PHE 188 Cb 0.19 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3had h PHE 188 CO -0.14 0.61 0.20 0.77 -2.23 0.00 0.00 178.31 177.53 3had h SER 189 N 1.07 0.32 -0.18 0.41 0.02 0.66 0.19 113.55 116.04 3had h SER 189 Ca 0.30 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 3had h SER 189 Cb -0.09 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 3had h SER 189 CO -0.08 0.23 -0.22 0.11 -1.14 0.00 0.00 176.83 175.74 3had h LYS 190 N 0.42 0.62 0.00 3.45 1.57 -0.84 -1.14 116.57 120.65 3had h LYS 190 Ca 0.15 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 3had h LYS 190 Cb 0.04 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3had h LYS 190 CO -0.09 0.79 -0.14 0.00 -0.57 0.00 0.00 179.45 179.44 3had h ALA 191 N 1.22 1.38 0.00 3.86 0.00 -0.14 0.31 119.26 125.89 3had h ALA 191 Ca 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3had h ALA 191 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3had h ALA 191 CO 0.05 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.76 3had n LEU 192 N -3.81 0.30 0.00 0.00 4.77 -0.01 -4.86 117.00 113.38 3had n LEU 192 Ca -0.02 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 3had n LEU 192 Cb 0.25 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 3had n LEU 192 CO 0.32 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3had n GLY 193 N 1.42 0.82 3.98 -0.72 0.00 0.10 -4.93 105.19 105.85 3had n GLY 193 Ca 0.06 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3had n GLY 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3had s LYS 194 N -0.66 2.72 -0.32 1.61 -0.14 -0.53 -4.96 119.74 117.46 3had s LYS 194 Ca 0.00 -1.34 -0.01 0.00 -1.36 0.00 0.00 55.97 53.25 3had s LYS 194 Cb 0.00 -2.65 0.06 0.00 -1.68 0.00 0.00 37.83 33.56 3had s LYS 194 CO 0.00 -0.29 0.04 -1.01 -0.76 0.00 0.00 175.35 173.33 3had s HIS 195 N -2.40 3.36 0.27 3.18 3.76 0.86 -3.86 115.29 120.46 3had s HIS 195 Ca 0.54 -2.06 -0.29 0.00 -0.15 0.00 0.00 55.06 53.09 3had s HIS 195 Cb -0.08 -2.36 -0.09 0.00 1.11 0.00 0.00 32.58 31.15 3had s HIS 195 CO 0.32 -0.85 0.98 -1.25 -0.85 0.00 0.00 174.74 173.09 3had s PRO 196 N 1.20 4.72 0.14 8.40 0.04 -1.26 -2.77 135.00 145.48 3had s PRO 196 Ca -0.02 1.52 0.07 0.00 0.04 0.00 0.00 61.00 62.62 3had s PRO 196 Cb -0.20 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 3had s PRO 196 CO -0.02 0.37 -0.17 0.14 0.04 0.00 0.00 177.00 177.36 3had s VAL 197 N -1.29 1.62 -0.08 -0.36 -7.23 -0.68 -4.96 120.40 107.42 3had s VAL 197 Ca 0.44 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 3had s VAL 197 Cb -0.26 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3had s VAL 197 CO 0.32 -0.33 0.06 -0.55 -0.31 0.00 0.00 175.10 174.29 3had s SER 198 N -2.51 5.67 -0.11 4.85 0.15 -1.26 -0.32 113.70 120.16 3had s SER 198 Ca 0.12 0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.81 3had s SER 198 Cb -0.06 -1.68 0.05 0.00 -1.71 0.00 0.00 66.02 62.62 3had s SER 198 CO 0.05 0.36 0.48 0.00 1.20 0.00 0.00 173.24 175.34 3had s LYS 200 N -0.50 0.80 -1.26 0.00 1.02 -1.26 -2.81 119.74 115.72 3had s LYS 200 Ca -0.06 0.91 -0.17 0.00 0.02 0.00 0.00 55.97 56.66 3had s LYS 200 Cb -0.03 -1.75 -0.00 0.00 -0.52 0.00 0.00 37.83 35.53 3had s LYS 200 CO 0.04 -2.58 2.03 -3.47 -0.92 0.00 0.00 175.35 170.45 3had n ASP 201 N -4.13 3.77 -4.37 2.83 2.03 -1.18 -4.78 116.55 110.73 3had n ASP 201 Ca 0.07 -2.81 -0.29 0.00 0.52 0.00 0.00 54.79 52.27 3had n ASP 201 Cb 0.55 -1.58 -0.14 0.00 -0.72 0.00 0.00 41.12 39.23 3had n ASP 201 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3had s THR 202 N 4.44 2.18 0.08 5.18 -4.23 -1.26 -4.90 115.64 117.13 3had s THR 202 Ca 0.52 -1.61 -0.36 0.00 -1.18 0.00 0.00 61.69 59.07 3had s THR 202 Cb 0.11 -1.91 -0.15 0.00 1.34 0.00 0.00 72.50 71.89 3had s THR 202 CO 0.01 0.18 1.50 -0.81 -0.54 0.00 0.00 174.62 174.96 3had n PRO 203 N 1.24 1.63 0.00 3.99 -0.04 -1.26 -1.17 135.00 139.39 3had n PRO 203 Ca -0.18 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 3had n PRO 203 Cb 0.53 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 3had n PRO 203 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3had n GLY 204 N 3.13 2.74 7.00 0.55 0.00 -1.26 -4.63 105.19 112.72 3had n GLY 204 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3had n GLY 204 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3had n PHE 205 N -2.00 0.00 -0.01 1.61 3.72 -0.31 -2.18 117.46 118.28 3had n PHE 205 Ca 0.00 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.39 3had n PHE 205 Cb 0.00 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.54 3had n PHE 205 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3had n ILE 206 N 0.00 0.15 0.01 4.37 5.41 -1.26 -4.38 119.36 123.65 3had n ILE 206 Ca 0.00 0.43 -0.07 0.00 1.00 0.00 0.00 62.75 64.11 3had n ILE 206 Cb 0.00 -1.55 -0.05 0.00 -0.71 0.00 0.00 39.64 37.34 3had n ILE 206 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3had h VAL 207 N -0.09 0.00 -0.49 1.39 2.07 -2.00 -2.06 116.25 115.07 3had h VAL 207 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 3had h VAL 207 Cb 0.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 3had h VAL 207 CO 0.00 0.00 0.32 0.78 0.02 0.00 0.00 177.57 178.69 3had h ASN 208 N -0.29 0.54 0.17 0.57 2.35 -1.85 0.61 115.58 117.68 3had h ASN 208 Ca 0.01 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3had h ASN 208 Cb 0.32 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.55 3had h ASN 208 CO -0.18 0.39 -0.11 -0.09 -1.65 0.00 0.00 177.43 175.79 3had h ARG 209 N 0.64 0.00 0.00 0.81 9.65 -1.08 0.13 114.38 124.53 3had h ARG 209 Ca 0.18 0.00 -0.23 0.00 -1.10 0.00 0.00 59.98 58.84 3had h ARG 209 Cb -0.04 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 3had h ARG 209 CO -0.04 0.11 -2.17 1.28 2.80 0.00 0.00 179.97 181.95 3had n LEU 210 N -4.09 0.00 -0.07 3.80 4.77 -0.60 -4.52 117.00 116.30 3had n LEU 210 Ca -0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.87 3had n LEU 210 Cb 0.19 0.30 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3had n LEU 210 CO 0.33 0.30 0.06 0.25 -1.33 0.00 0.00 177.39 177.00 3had h LEU 211 N 0.00 0.00 -0.37 2.23 5.85 0.43 -3.36 115.31 120.09 3had h LEU 211 Ca -0.34 -0.48 0.04 0.00 0.84 0.00 0.00 57.88 57.94 3had h LEU 211 Cb 1.74 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.73 3had h LEU 211 CO 0.02 0.86 0.14 0.58 -0.34 0.00 0.00 178.44 179.70 3had h VAL 212 N -1.00 0.91 -0.09 1.05 2.07 -1.18 -1.77 116.25 116.24 3had h VAL 212 Ca -0.04 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 3had h VAL 212 Cb 0.63 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3had h VAL 212 CO -0.03 0.06 0.05 -0.65 0.02 0.00 0.00 177.57 177.02 3had h PRO 213 N 0.31 0.12 -0.17 1.57 0.11 -1.79 -1.02 132.00 131.13 3had h PRO 213 Ca 0.17 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 3had h PRO 213 Cb 0.13 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 3had h PRO 213 CO -0.16 0.09 -0.09 -0.92 -0.21 0.00 0.00 178.00 176.71 3had h TYR 214 N 0.12 0.42 -0.76 0.65 3.20 -1.49 -1.90 116.97 117.21 3had h TYR 214 Ca 0.03 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.83 3had h TYR 214 Cb 0.01 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 3had h TYR 214 CO 0.00 0.68 0.50 -0.07 -1.64 0.00 0.00 178.16 177.63 3had h LEU 215 N 0.03 0.80 -0.48 2.82 3.38 -0.58 -1.27 115.31 120.01 3had h LEU 215 Ca 0.04 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3had h LEU 215 Cb 0.58 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3had h LEU 215 CO 0.03 0.55 0.11 0.24 0.09 0.00 0.00 178.44 179.46 3had h MET 216 N 0.93 0.78 -0.55 1.13 2.86 -1.05 -1.81 114.93 117.22 3had h MET 216 Ca 0.30 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 3had h MET 216 Cb 0.04 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.57 3had h MET 216 CO -0.08 0.77 0.36 0.93 1.06 0.00 0.00 176.91 179.94 3had h GLU 217 N 0.66 0.62 -0.25 1.72 4.39 -0.46 0.51 114.58 121.78 3had h GLU 217 Ca 0.15 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 3had h GLU 217 Cb 0.34 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3had h GLU 217 CO 0.00 0.41 -0.00 0.00 -1.16 0.00 0.00 179.01 178.27 3had h ALA 218 N 1.68 0.34 -0.70 3.43 0.00 -0.80 -0.47 119.26 122.74 3had h ALA 218 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3had h ALA 218 Cb 0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3had h ALA 218 CO -0.06 0.07 0.46 0.82 0.00 0.00 0.00 179.25 180.54 3had h ILE 219 N 0.22 1.17 -0.51 0.00 2.04 -0.43 -2.14 117.51 117.87 3had h ILE 219 Ca 0.07 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3had h ILE 219 Cb 0.41 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 3had h ILE 219 CO 0.01 0.17 -0.02 0.03 0.00 0.00 0.00 178.15 178.35 3had h ARG 220 N 0.93 0.87 -0.72 2.37 3.08 -0.69 0.10 114.38 120.32 3had h ARG 220 Ca 0.26 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3had h ARG 220 Cb -0.10 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.83 3had h ARG 220 CO -0.06 0.88 0.27 1.25 -1.07 0.00 0.00 179.97 181.24 3had h LEU 221 N 0.81 1.00 -0.12 3.04 6.46 -0.78 -0.98 115.31 124.73 3had h LEU 221 Ca 0.15 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 57.71 3had h LEU 221 Cb 0.51 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 3had h LEU 221 CO 0.03 0.90 -0.10 0.22 -0.62 0.00 0.00 178.44 178.86 3had h TYR 222 N 1.05 0.33 -0.27 1.25 3.20 -0.95 -2.28 116.97 119.31 3had h TYR 222 Ca 0.24 -0.10 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 3had h TYR 222 Cb 0.23 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3had h TYR 222 CO 0.02 0.68 0.08 0.93 -1.64 0.00 0.00 178.16 178.23 3had h GLU 223 N -0.11 0.37 0.00 1.82 5.08 -0.65 0.43 114.58 121.52 3had h GLU 223 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3had h GLU 223 Cb 0.62 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3had h GLU 223 CO 0.03 0.33 0.00 -2.13 -1.00 0.00 0.00 179.01 176.24 3had n ARG 224 N -4.41 0.02 -1.02 2.33 0.63 -0.39 -4.87 116.66 108.95 3had n ARG 224 Ca 0.01 0.23 -0.01 0.00 -0.92 0.00 0.00 57.85 57.16 3had n ARG 224 Cb 0.14 -1.53 -0.00 0.00 0.45 0.00 0.00 32.46 31.52 3had n ARG 224 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3had n GLY 225 N 0.23 0.42 0.26 5.14 0.00 0.15 -4.92 105.19 106.48 3had n GLY 225 Ca 0.04 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.09 3had n GLY 225 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3had h ASP 226 N 0.00 0.00 -4.52 1.61 3.32 -1.60 -3.46 116.42 111.77 3had h ASP 226 Ca -0.02 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.12 3had h ASP 226 Cb 0.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.66 3had h ASP 226 CO 0.02 0.12 0.48 0.00 -1.72 0.00 0.00 179.24 178.15 3had s ALA 227 N -4.13 -1.85 0.69 3.45 0.00 -1.26 -5.06 121.76 113.59 3had s ALA 227 Ca -0.02 1.20 -0.11 0.00 0.00 0.00 0.00 51.96 53.02 3had s ALA 227 Cb 0.13 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3had s ALA 227 CO 0.58 -0.56 1.06 -1.54 0.00 0.00 0.00 175.76 175.30 3had s SER 228 N -1.99 5.42 0.11 0.00 1.04 -1.26 -4.44 113.70 112.57 3had s SER 228 Ca 0.02 1.64 -0.21 0.00 0.48 0.00 0.00 55.95 57.88 3had s SER 228 Cb -0.01 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 3had s SER 228 CO -0.05 -1.42 1.74 0.11 0.98 0.00 0.00 173.24 174.61 3had h LYS 229 N -0.61 0.20 -0.22 4.02 1.57 -1.98 -1.17 116.57 118.38 3had h LYS 229 Ca -0.44 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.38 3had h LYS 229 Cb 1.21 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.41 3had h LYS 229 CO 0.57 0.16 -0.19 0.93 -0.57 0.00 0.00 179.45 180.35 3had h GLU 230 N 0.18 -0.19 -0.89 3.15 3.07 -1.99 -0.75 114.58 117.16 3had h GLU 230 Ca 0.05 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3had h GLU 230 Cb 0.01 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 3had h GLU 230 CO -0.01 -0.13 0.48 -0.44 -1.40 0.00 0.00 179.01 177.51 3had h ASP 231 N -0.20 1.11 -0.63 1.42 5.19 -1.89 -0.81 116.42 120.60 3had h ASP 231 Ca 0.13 -0.10 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 3had h ASP 231 Cb 0.39 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 3had h ASP 231 CO -0.34 0.89 0.28 0.40 -3.12 0.00 0.00 179.24 177.36 3had h ILE 232 N 1.24 1.23 -0.19 0.35 2.04 -0.71 0.28 117.51 121.74 3had h ILE 232 Ca 0.31 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 3had h ILE 232 Cb 0.03 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3had h ILE 232 CO -0.05 0.27 0.08 0.44 0.00 0.00 0.00 178.15 178.89 3had h ASP 233 N 0.88 0.26 -0.29 1.72 3.32 -0.77 -1.02 116.42 120.51 3had h ASP 233 Ca 0.22 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.15 3had h ASP 233 Cb 0.16 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3had h ASP 233 CO -0.02 0.33 0.10 0.74 -1.72 0.00 0.00 179.24 178.67 3had h THR 234 N 0.17 0.92 -0.68 0.35 2.02 -0.89 -1.36 112.91 113.43 3had h THR 234 Ca 0.06 -0.08 0.06 0.00 0.77 0.00 0.00 66.41 67.23 3had h THR 234 Cb 0.15 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.17 3had h THR 234 CO -0.01 0.04 0.38 0.00 0.37 0.00 0.00 175.52 176.31 3had h ALA 235 N 1.19 0.92 0.01 6.16 0.00 -0.10 -0.39 119.26 127.03 3had h ALA 235 Ca 0.13 0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.86 3had h ALA 235 Cb 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3had h ALA 235 CO -0.14 0.06 -0.88 0.52 0.00 0.00 0.00 179.25 178.81 3had h MET 236 N 0.70 0.19 0.14 0.00 2.86 -0.92 0.29 114.93 118.20 3had h MET 236 Ca 0.31 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3had h MET 236 Cb 0.19 0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3had h MET 236 CO -0.19 0.96 -0.07 0.87 1.06 0.00 0.00 176.91 179.55 3had h LYS 237 N 0.11 -0.18 0.01 1.72 1.57 -0.99 -1.17 116.57 117.64 3had h LYS 237 Ca -0.04 0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 3had h LYS 237 Cb 1.52 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.88 3had h LYS 237 CO 0.13 0.24 -1.01 -0.07 -0.57 0.00 0.00 179.45 178.17 3had h LEU 238 N -0.67 0.70 0.03 2.94 3.38 -1.16 -0.68 115.31 119.85 3had h LEU 238 Ca -0.02 -0.57 -0.27 0.00 0.09 0.00 0.00 57.88 57.11 3had h LEU 238 Cb 0.50 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3had h LEU 238 CO 0.03 1.38 -1.43 1.23 0.09 0.00 0.00 178.44 179.73 3had h GLY 239 N 0.87 0.08 0.00 0.83 0.00 -0.53 -3.37 103.07 100.94 3had h GLY 239 Ca -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3had h GLY 239 CO 0.19 0.18 -0.74 0.00 0.00 0.00 0.00 176.54 176.16 3had n ALA 240 N -2.53 3.56 -1.00 3.60 0.00 -0.49 -5.00 120.51 118.65 3had n ALA 240 Ca -0.11 -0.37 -0.00 0.00 0.00 0.00 0.00 53.44 52.96 3had n ALA 240 Cb 1.01 -0.47 -0.00 0.00 0.00 0.00 0.00 19.45 19.99 3had n ALA 240 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3had n GLY 241 N 1.36 0.46 3.77 0.00 0.00 -0.27 -4.98 105.19 105.53 3had n GLY 241 Ca 0.02 -0.43 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 3had n GLY 241 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3had s TYR 242 N -2.00 3.11 0.32 1.61 2.02 -1.02 -4.93 117.35 116.46 3had s TYR 242 Ca 0.00 1.57 0.02 0.00 -0.37 0.00 0.00 57.07 58.29 3had s TYR 242 Cb 0.00 -3.37 0.53 0.00 -0.40 0.00 0.00 41.96 38.72 3had s TYR 242 CO 0.00 -1.22 1.86 -1.35 -1.57 0.00 0.00 175.55 173.26 3had h PRO 243 N 2.70 0.64 -4.97 -1.71 0.11 -1.91 -3.39 132.00 123.48 3had h PRO 243 Ca -0.49 -0.13 -0.43 0.00 0.11 0.00 0.00 66.00 65.06 3had h PRO 243 Cb 1.23 -0.10 -0.29 0.00 0.11 0.00 0.00 31.00 31.96 3had h PRO 243 CO 0.63 0.63 -0.79 -1.64 -0.21 0.00 0.00 178.00 176.61 3had s MET 244 N -5.07 0.90 0.79 1.05 -1.94 -1.26 -5.02 119.30 108.74 3had s MET 244 Ca -0.08 -0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 53.37 3had s MET 244 Cb 0.15 -0.87 0.07 0.00 2.01 0.00 0.00 34.83 36.20 3had s MET 244 CO 0.78 0.24 1.12 0.20 -0.01 0.00 0.00 175.02 177.34 3had s GLY 245 N -0.31 1.80 0.34 -0.03 0.00 -1.26 -4.74 107.32 103.12 3had s GLY 245 Ca 0.04 0.44 0.05 0.00 0.00 0.00 0.00 44.72 45.25 3had s GLY 245 CO -0.00 0.81 1.92 -0.56 0.00 0.00 0.00 173.10 175.27 3had h PRO 246 N -1.10 0.79 -0.08 2.90 0.13 -1.86 -0.95 132.00 131.83 3had h PRO 246 Ca -0.44 -0.05 -0.17 0.00 -0.87 0.00 0.00 66.00 64.47 3had h PRO 246 Cb 1.25 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3had h PRO 246 CO 0.49 0.53 -0.68 0.74 -0.23 0.00 0.00 178.00 178.85 3had h PHE 247 N 0.82 0.47 -0.47 1.56 0.04 -1.91 0.19 116.94 117.64 3had h PHE 247 Ca 0.37 -0.20 -0.14 0.00 2.80 0.00 0.00 57.97 60.80 3had h PHE 247 Cb 0.35 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 3had h PHE 247 CO -0.00 0.92 -0.25 1.49 -0.60 0.00 0.00 178.31 179.87 3had h GLU 248 N 0.25 0.99 -0.45 1.51 4.81 -1.78 -2.00 114.58 117.92 3had h GLU 248 Ca -0.02 -0.44 -0.14 0.00 -0.13 0.00 0.00 59.36 58.63 3had h GLU 248 Cb 1.23 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 3had h GLU 248 CO 0.11 1.12 -0.26 1.25 -0.73 0.00 0.00 179.01 180.50 3had h LEU 249 N 0.84 1.00 0.00 1.64 5.85 -1.07 -1.56 115.31 122.02 3had h LEU 249 Ca 0.10 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.43 3had h LEU 249 Cb 0.83 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 3had h LEU 249 CO 0.07 1.20 -0.20 -0.07 -0.34 0.00 0.00 178.44 179.10 3had h LEU 250 N 0.81 -0.60 -2.19 2.25 3.38 -0.82 0.25 115.31 118.39 3had h LEU 250 Ca 0.09 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.16 3had h LEU 250 Cb 0.85 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 3had h LEU 250 CO 0.07 -0.27 0.05 0.44 0.09 0.00 0.00 178.44 178.82 3had h ASP 251 N -0.33 0.00 0.09 -0.43 3.32 -1.29 0.17 116.42 117.95 3had h ASP 251 Ca 0.06 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.90 3had h ASP 251 Cb 0.40 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.97 3had h ASP 251 CO -0.19 0.00 -0.88 0.22 -1.72 0.00 0.00 179.24 176.68 3had h TYR 252 N 0.00 0.71 0.00 4.55 3.20 0.04 0.38 116.97 125.85 3had h TYR 252 Ca 0.03 -0.45 -0.10 0.00 3.14 0.00 0.00 58.73 61.34 3had h TYR 252 Cb 0.11 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 3had h TYR 252 CO 0.00 1.31 -0.56 -0.39 -1.64 0.00 0.00 178.16 176.88 3had h VAL 253 N -0.08 0.77 0.00 1.81 -1.51 -0.39 -3.47 116.25 113.39 3had h VAL 253 Ca -0.13 -2.12 0.00 0.00 -1.23 0.00 0.00 66.70 63.22 3had h VAL 253 Cb 1.62 2.36 0.00 0.00 -2.13 0.00 0.00 31.29 33.13 3had h VAL 253 CO 0.17 0.44 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 3had n GLY 254 N 1.23 2.44 0.20 5.19 0.00 0.03 -4.73 105.19 109.56 3had n GLY 254 Ca 0.01 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 3had n GLY 254 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3had h LEU 255 N 0.00 0.22 -0.09 0.99 3.38 -1.36 -0.62 115.31 117.84 3had h LEU 255 Ca 0.00 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3had h LEU 255 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3had h LEU 255 CO 0.00 0.57 -0.19 -2.24 0.09 0.00 0.00 178.44 176.67 3had h ASP 256 N 0.19 0.32 -0.64 -0.43 2.03 -1.90 -0.45 116.42 115.54 3had h ASP 256 Ca 0.02 -0.57 0.09 0.00 -0.73 0.00 0.00 57.03 55.84 3had h ASP 256 Cb 0.72 -0.09 -0.07 0.00 -0.83 0.00 0.00 39.33 39.06 3had h ASP 256 CO 0.05 0.84 0.26 0.74 -1.03 0.00 0.00 179.24 180.10 3had h THR 257 N -0.18 0.79 -0.10 1.15 2.02 -1.80 -0.46 112.91 114.33 3had h THR 257 Ca 0.00 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3had h THR 257 Cb 0.79 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3had h THR 257 CO 0.04 0.08 0.00 0.74 0.37 0.00 0.00 175.52 176.76 3had h THR 258 N 0.46 1.24 -0.80 3.16 2.02 -1.03 -2.82 112.91 115.14 3had h THR 258 Ca 0.32 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.76 3had h THR 258 Cb 0.38 1.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.30 3had h THR 258 CO -0.30 0.22 0.52 0.50 0.37 0.00 0.00 175.52 176.83 3had h LYS 259 N -0.09 0.98 -0.43 6.66 3.64 -0.71 -1.66 116.57 124.96 3had h LYS 259 Ca 0.03 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.39 3had h LYS 259 Cb 0.33 -0.22 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3had h LYS 259 CO 0.00 0.65 0.21 0.35 -2.27 0.00 0.00 179.45 178.39 3had h PHE 260 N 1.01 0.39 -0.49 1.91 3.57 -1.03 0.15 116.94 122.44 3had h PHE 260 Ca 0.32 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 3had h PHE 260 Cb -0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 3had h PHE 260 CO -0.03 0.19 0.21 0.82 -2.23 0.00 0.00 178.31 177.27 3had h ILE 261 N 0.42 1.21 -0.24 1.41 2.04 -1.18 -2.48 117.51 118.68 3had h ILE 261 Ca 0.19 -0.62 -0.13 0.00 1.00 0.00 0.00 64.86 65.29 3had h ILE 261 Cb 0.10 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3had h ILE 261 CO -0.14 0.24 -0.41 0.58 0.00 0.00 0.00 178.15 178.42 3had h VAL 262 N 0.65 1.30 -0.54 1.67 2.07 -0.92 -2.55 116.25 117.93 3had h VAL 262 Ca 0.16 -1.58 0.02 0.00 0.82 0.00 0.00 66.70 66.13 3had h VAL 262 Cb 0.17 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3had h VAL 262 CO -0.02 0.50 0.33 0.44 0.02 0.00 0.00 177.57 178.84 3had h ASP 263 N 0.47 0.53 -0.06 0.57 3.32 -0.57 0.32 116.42 121.01 3had h ASP 263 Ca 0.04 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3had h ASP 263 Cb 0.92 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 3had h ASP 263 CO 0.08 0.38 -0.15 1.23 -1.72 0.00 0.00 179.24 179.06 3had h GLY 264 N 0.65 -0.14 1.00 2.75 0.00 -1.22 0.43 103.07 106.54 3had h GLY 264 Ca 0.21 0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.72 3had h GLY 264 CO -0.09 -0.15 0.38 1.49 0.00 0.00 0.00 176.54 178.17 3had h TRP 265 N -0.22 0.82 -0.46 5.60 6.55 -1.02 -1.66 115.95 125.56 3had h TRP 265 Ca 0.07 -0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.92 3had h TRP 265 Cb 0.32 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 28.32 3had h TRP 265 CO -0.23 0.56 0.30 1.25 -1.05 0.00 0.00 178.44 179.26 3had h HIS 266 N 0.85 0.56 -0.28 0.49 2.76 0.28 -1.87 115.15 117.94 3had h HIS 266 Ca 0.22 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.47 3had h HIS 266 Cb -0.02 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 28.69 3had h HIS 266 CO -0.02 0.34 -0.09 1.49 -1.30 0.00 0.00 177.93 178.36 3had h GLU 267 N 0.60 -0.02 0.00 5.26 4.81 0.33 0.62 114.58 126.18 3had h GLU 267 Ca 0.17 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3had h GLU 267 Cb -0.04 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 3had h GLU 267 CO -0.05 -0.02 -0.11 0.52 -0.73 0.00 0.00 179.01 178.62 3had h MET 268 N -0.03 0.00 -0.61 1.92 2.86 -0.94 -3.35 114.93 114.78 3had h MET 268 Ca 0.14 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.46 3had h MET 268 Cb 0.24 0.00 -0.22 0.00 0.06 0.00 0.00 31.60 31.67 3had h MET 268 CO -0.30 0.11 -0.68 -3.47 1.06 0.00 0.00 176.91 173.63 3had n ASP 269 N -3.47 -1.66 0.10 1.22 2.03 -0.71 -4.99 116.55 109.08 3had n ASP 269 Ca -0.01 -3.32 0.20 0.00 0.52 0.00 0.00 54.79 52.18 3had n ASP 269 Cb 0.27 1.12 0.74 0.00 -0.72 0.00 0.00 41.12 42.53 3had n ASP 269 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3had h ALA 270 N 3.47 2.07 0.00 -1.67 0.00 0.07 0.23 119.26 123.44 3had h ALA 270 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3had h ALA 270 Cb 1.02 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3had h ALA 270 CO 0.30 -0.66 -0.07 0.93 0.00 0.00 0.00 179.25 179.76 3had h GLU 271 N 0.00 0.00 -6.24 0.00 5.08 -1.94 -3.44 114.58 108.04 3had h GLU 271 Ca 0.19 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.99 3had h GLU 271 Cb 1.09 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.32 3had h GLU 271 CO -0.00 0.07 1.03 1.21 -1.00 0.00 0.00 179.01 180.32 3had s ASN 272 N -6.01 6.68 0.38 1.42 3.84 0.82 -4.90 114.94 117.17 3had s ASN 272 Ca 0.03 1.83 0.05 0.00 0.21 0.00 0.00 52.86 54.99 3had s ASN 272 Cb 0.08 -2.53 0.74 0.00 -0.55 0.00 0.00 41.25 38.98 3had s ASN 272 CO 0.62 -0.97 2.03 1.55 -2.79 0.00 0.00 177.10 177.54 3had h PRO 273 N 9.40 0.70 -0.15 0.43 0.13 -1.86 -2.69 132.00 137.95 3had h PRO 273 Ca -0.33 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.80 3had h PRO 273 Cb 1.14 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3had h PRO 273 CO 0.98 0.46 0.19 -0.07 -0.23 0.00 0.00 178.00 179.32 3had h LEU 274 N 0.72 0.00 -2.88 1.56 3.38 -1.95 -1.64 115.31 114.50 3had h LEU 274 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3had h LEU 274 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3had h LEU 274 CO -0.05 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.89 3had n HIS 275 N -3.67 0.71 -1.74 1.13 8.25 -1.02 -4.95 115.22 113.93 3had n HIS 275 Ca 0.01 -0.52 -0.42 0.00 -0.26 0.00 0.00 57.72 56.52 3had n HIS 275 Cb 0.30 -0.05 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 3had n HIS 275 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3had n GLN 276 N 0.86 2.56 -0.97 -0.41 1.13 -0.62 -4.45 117.38 115.48 3had n GLN 276 Ca 0.17 0.91 -0.32 0.00 -1.94 0.00 0.00 57.00 55.82 3had n GLN 276 Cb 0.54 -2.65 0.14 0.00 0.11 0.00 0.00 30.24 28.38 3had n GLN 276 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3had s PRO 277 N -0.98 1.51 -0.20 -1.09 0.04 -1.26 -5.02 135.00 127.99 3had s PRO 277 Ca 0.61 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 63.14 3had s PRO 277 Cb -0.52 -1.78 -0.01 0.00 0.04 0.00 0.00 34.50 32.23 3had s PRO 277 CO 0.53 -2.26 -0.06 0.45 0.04 0.00 0.00 177.00 175.70 3had s SER 278 N -2.68 4.30 0.09 6.66 0.15 -1.26 -5.02 113.70 115.95 3had s SER 278 Ca 0.67 -0.35 -0.24 0.00 0.70 0.00 0.00 55.95 56.73 3had s SER 278 Cb -0.23 -1.72 -0.13 0.00 -1.71 0.00 0.00 66.02 62.22 3had s SER 278 CO 0.55 0.03 1.71 -0.65 1.20 0.00 0.00 173.24 176.08 3had h PRO 279 N 7.71 -0.15 -0.54 5.44 0.11 -1.98 0.14 132.00 142.73 3had h PRO 279 Ca -0.38 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.80 3had h PRO 279 Cb 1.17 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3had h PRO 279 CO 0.60 -0.10 0.25 0.77 -0.21 0.00 0.00 178.00 179.32 3had h SER 280 N -0.15 0.34 0.07 -2.05 0.02 -1.97 0.28 113.55 110.09 3had h SER 280 Ca 0.00 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3had h SER 280 Cb 0.14 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.67 3had h SER 280 CO -0.01 0.23 -0.04 0.25 -1.14 0.00 0.00 176.83 176.12 3had h LEU 281 N 0.49 -0.09 -0.74 5.07 5.85 -1.91 -1.84 115.31 122.14 3had h LEU 281 Ca 0.25 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.94 3had h LEU 281 Cb 0.20 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 3had h LEU 281 CO -0.20 0.03 0.44 0.78 -0.34 0.00 0.00 178.44 179.15 3had h ASN 282 N -0.20 0.68 0.10 1.25 2.35 -0.14 -1.97 115.58 117.66 3had h ASN 282 Ca -0.01 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3had h ASN 282 Cb 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3had h ASN 282 CO 0.02 0.45 -0.12 0.50 -1.65 0.00 0.00 177.43 176.62 3had h LYS 283 N 0.82 -0.25 -0.77 0.81 3.64 -0.26 0.33 116.57 120.88 3had h LYS 283 Ca 0.32 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 3had h LYS 283 Cb 0.14 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.97 3had h LYS 283 CO -0.16 -0.17 0.47 -0.07 -2.27 0.00 0.00 179.45 177.25 3had h LEU 284 N -0.26 0.74 -0.65 5.20 3.38 -1.10 0.19 115.31 122.82 3had h LEU 284 Ca 0.01 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3had h LEU 284 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3had h LEU 284 CO -0.05 0.49 -0.04 0.58 0.09 0.00 0.00 178.44 179.51 3had h VAL 285 N 0.88 1.26 -0.42 1.22 2.07 -0.96 0.68 116.25 120.98 3had h VAL 285 Ca 0.33 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 3had h VAL 285 Cb 0.12 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3had h VAL 285 CO -0.15 0.42 0.16 0.00 0.02 0.00 0.00 177.57 178.02 3had h ALA 286 N 1.02 0.55 0.00 1.67 0.00 0.43 -0.66 119.26 122.28 3had h ALA 286 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3had h ALA 286 Cb 0.59 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3had h ALA 286 CO 0.04 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.84 3had n GLU 287 N -4.62 0.67 -1.35 0.00 1.02 0.61 -4.81 120.64 112.16 3had n GLU 287 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3had n GLU 287 Cb 0.15 -1.03 -0.05 0.00 -0.02 0.00 0.00 31.44 30.49 3had n GLU 287 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3had n ASN 288 N -0.53 -5.18 -4.49 1.62 2.85 -0.25 -4.91 115.26 104.37 3had n ASN 288 Ca 0.01 0.30 -0.43 0.00 -0.11 0.00 0.00 54.58 54.34 3had n ASN 288 Cb 0.00 -3.74 -0.01 0.00 1.24 0.00 0.00 39.78 37.27 3had n ASN 288 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3had s LYS 289 N -2.91 3.85 0.00 1.20 1.02 0.23 -4.82 119.74 118.30 3had s LYS 289 Ca 0.00 -2.02 0.30 0.00 0.02 0.00 0.00 55.97 54.28 3had s LYS 289 Cb 0.00 -5.14 1.56 0.00 -0.52 0.00 0.00 37.83 33.74 3had s LYS 289 CO 0.00 -1.91 2.04 1.19 -0.92 0.00 0.00 175.35 175.75 3had n PHE 290 N 6.85 0.00 0.00 3.18 3.72 -1.13 -4.19 117.46 125.89 3had n PHE 290 Ca 0.34 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.74 3had n PHE 290 Cb 0.46 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 3had n PHE 290 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3had n GLY 291 N 1.12 0.22 0.23 1.37 0.00 0.49 -1.59 105.19 107.04 3had n GLY 291 Ca 0.20 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.46 3had n GLY 291 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3had h LYS 292 N 0.00 0.00 -0.39 1.61 1.57 -1.17 0.10 116.57 118.29 3had h LYS 292 Ca 0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3had h LYS 292 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3had h LYS 292 CO 0.00 0.00 0.11 0.87 -0.57 0.00 0.00 179.45 179.86 3had h LYS 293 N 0.00 0.61 -0.42 3.15 1.57 -1.80 -3.20 116.57 116.48 3had h LYS 293 Ca 0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3had h LYS 293 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3had h LYS 293 CO 0.00 0.62 0.00 0.25 -0.57 0.00 0.00 179.45 179.75 3had n THR 294 N -4.60 2.04 -1.05 -0.16 -2.24 -0.86 -4.94 114.28 102.47 3had n THR 294 Ca -0.01 -1.49 -0.02 0.00 -2.27 0.00 0.00 64.05 60.27 3had n THR 294 Cb 0.19 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.37 3had n THR 294 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3had n GLY 295 N 0.25 0.47 3.65 3.38 0.00 -0.98 -4.94 105.19 107.02 3had n GLY 295 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3had n GLY 295 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3had s GLU 296 N -1.10 0.20 0.00 1.61 2.12 -0.03 -0.67 118.70 120.82 3had s GLU 296 Ca 0.00 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.68 3had s GLU 296 Cb 0.00 0.04 0.00 0.00 0.26 0.00 0.00 34.13 34.43 3had s GLU 296 CO 0.00 -0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 3had n GLY 297 N 3.36 3.09 0.17 -1.50 0.00 -1.25 -0.38 105.19 108.68 3had n GLY 297 Ca -0.18 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.53 3had n GLY 297 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3had h PHE 298 N 0.00 0.00 -2.73 1.61 0.04 -1.87 -3.45 116.94 110.54 3had h PHE 298 Ca 0.00 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 60.14 3had h PHE 298 Cb 0.00 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 38.00 3had h PHE 298 CO 0.00 0.31 -0.77 0.71 -0.60 0.00 0.00 178.31 177.96 3had s TYR 299 N -3.07 2.38 -0.12 -0.55 2.02 -1.26 -5.13 117.35 111.63 3had s TYR 299 Ca 0.05 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.32 3had s TYR 299 Cb 0.07 -1.11 -0.05 0.00 -0.40 0.00 0.00 41.96 40.47 3had s TYR 299 CO 0.71 0.59 0.26 0.21 -1.57 0.00 0.00 175.55 175.76 3had s LYS 300 N -3.08 3.95 0.15 -0.62 2.20 -1.26 -4.28 119.74 116.79 3had s LYS 300 Ca 0.26 0.07 0.10 0.00 -0.36 0.00 0.00 55.97 56.04 3had s LYS 300 Cb -0.07 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3had s LYS 300 CO 0.13 0.50 -0.21 0.71 -0.36 0.00 0.00 175.35 176.12 3had s TYR 301 N -0.31 2.41 -0.44 4.03 1.51 0.15 -4.96 117.35 119.75 3had s TYR 301 Ca 0.17 -0.32 -0.27 0.00 -1.01 0.00 0.00 57.07 55.64 3had s TYR 301 Cb -0.13 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.43 3had s TYR 301 CO 0.05 0.42 2.06 0.21 -1.11 0.00 0.00 175.55 177.18 3had s LYS 302 N -2.36 2.74 -0.77 -0.62 2.20 -1.26 -4.72 119.74 114.95 3had s LYS 302 Ca 0.18 1.28 -0.25 0.00 -0.36 0.00 0.00 55.97 56.82 3had s LYS 302 Cb -0.09 -4.39 -0.16 0.00 -1.51 0.00 0.00 37.83 31.67 3had s LYS 302 CO 0.09 -2.56 2.47 -2.39 -0.36 0.00 0.00 175.35 172.60 3had n HIS 303 N 12.86 0.92 0.00 4.03 -0.00 -1.26 -5.03 115.22 126.74 3had n HIS 303 Ca 0.27 0.17 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 3had n HIS 303 Cb 0.50 -2.27 0.00 0.00 -0.00 0.00 0.00 29.99 28.22 3had n HIS 303 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06