#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngs s PHE 4 N 0.00 2.89 0.16 1.08 0.08 -1.26 -5.11 117.98 115.82 1ngs s PHE 4 Ca 0.00 -0.13 0.02 0.00 0.12 0.00 0.00 56.93 56.94 1ngs s PHE 4 Cb 0.00 -1.37 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 1ngs s PHE 4 CO 0.00 0.53 0.06 0.25 -0.10 0.00 0.00 175.22 175.96 1ngs n THR 5 N -0.35 0.00 -0.14 0.64 -2.24 -1.26 -5.02 114.28 105.91 1ngs n THR 5 Ca -0.09 -0.95 0.15 0.00 -2.27 0.00 0.00 64.05 60.89 1ngs n THR 5 Cb 0.56 0.35 0.51 0.00 -2.10 0.00 0.00 70.33 69.65 1ngs n THR 5 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1ngs h ASP 6 N 0.66 0.37 -0.45 3.42 3.32 -2.00 -1.28 116.42 120.45 1ngs h ASP 6 Ca -0.12 0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.86 1ngs h ASP 6 Cb 0.48 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1ngs h ASP 6 CO 0.20 0.20 -0.05 -0.29 -1.72 0.00 0.00 179.24 177.58 1ngs h ILE 7 N 0.40 1.27 -0.85 0.35 6.09 -1.97 0.68 117.51 123.48 1ngs h ILE 7 Ca 0.34 -1.13 -0.03 0.00 -1.37 0.00 0.00 64.86 62.67 1ngs h ILE 7 Cb 0.77 1.08 -0.04 0.00 0.47 0.00 0.00 36.82 39.10 1ngs h ILE 7 CO -0.10 0.39 0.41 0.44 -3.07 0.00 0.00 178.15 176.21 1ngs h ASP 8 N 0.67 1.11 0.29 2.19 3.32 -1.66 0.48 116.42 122.82 1ngs h ASP 8 Ca 0.12 -0.13 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 1ngs h ASP 8 Cb 0.56 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 1ngs h ASP 8 CO 0.03 0.94 -0.52 0.11 -1.72 0.00 0.00 179.24 178.07 1ngs h LYS 9 N 1.21 0.26 -0.34 3.56 1.57 -0.94 -2.07 116.57 119.82 1ngs h LYS 9 Ca 0.29 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1ngs h LYS 9 Cb 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1ngs h LYS 9 CO -0.04 0.72 -0.11 1.25 -0.57 0.00 0.00 179.45 180.71 1ngs h LEU 10 N 0.21 0.69 -0.95 2.94 5.85 0.15 -3.10 115.31 121.09 1ngs h LEU 10 Ca 0.01 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1ngs h LEU 10 Cb 0.99 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1ngs h LEU 10 CO 0.08 0.91 0.62 0.00 -0.34 0.00 0.00 178.44 179.71 1ngs h ALA 11 N 0.80 1.26 -0.21 1.25 0.00 0.14 -2.41 119.26 120.10 1ngs h ALA 11 Ca 0.08 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1ngs h ALA 11 Cb 0.62 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ngs h ALA 11 CO 0.04 0.50 -0.22 0.28 0.00 0.00 0.00 179.25 179.84 1ngs h VAL 12 N 1.20 1.25 -0.26 0.00 2.07 -1.36 -2.60 116.25 116.55 1ngs h VAL 12 Ca 0.38 -1.15 -0.20 0.00 0.82 0.00 0.00 66.70 66.56 1ngs h VAL 12 Cb 0.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1ngs h VAL 12 CO -0.12 0.36 -0.60 0.28 0.02 0.00 0.00 177.57 177.51 1ngs h SER 13 N 0.35 0.98 -0.74 0.57 0.02 -1.39 -2.53 113.55 110.80 1ngs h SER 13 Ca 0.06 -0.55 -0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1ngs h SER 13 Cb 0.59 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 1ngs h SER 13 CO 0.04 1.35 0.43 0.74 -1.14 0.00 0.00 176.83 178.26 1ngs h THR 14 N 0.65 1.21 -0.24 -2.27 2.02 -1.27 -0.66 112.91 112.36 1ngs h THR 14 Ca 0.00 -0.50 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 1ngs h THR 14 Cb 1.21 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 1ngs h THR 14 CO 0.13 0.23 -0.15 0.40 0.37 0.00 0.00 175.52 176.50 1ngs h ILE 15 N 1.03 1.31 -0.50 3.11 2.04 -1.40 0.15 117.51 123.26 1ngs h ILE 15 Ca 0.27 -1.26 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 1ngs h ILE 15 Cb -0.01 1.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1ngs h ILE 15 CO -0.05 0.39 0.15 0.03 0.00 0.00 0.00 178.15 178.67 1ngs h ARG 16 N 0.23 0.78 0.00 2.37 3.08 -1.22 -1.96 114.38 117.67 1ngs h ARG 16 Ca 0.05 -0.17 -0.24 0.00 0.07 0.00 0.00 59.98 59.68 1ngs h ARG 16 Cb 0.67 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.62 1ngs h ARG 16 CO 0.04 0.74 -0.98 0.82 -1.07 0.00 0.00 179.97 179.52 1ngs h ILE 17 N 0.68 1.37 -0.43 2.04 2.04 -1.10 -2.54 117.51 119.57 1ngs h ILE 17 Ca 0.16 -2.40 -0.04 0.00 1.00 0.00 0.00 64.86 63.57 1ngs h ILE 17 Cb 0.29 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.77 1ngs h ILE 17 CO -0.00 0.72 0.10 0.25 0.00 0.00 0.00 178.15 179.23 1ngs h LEU 18 N 0.27 0.65 -0.95 1.44 5.85 -0.64 0.47 115.31 122.40 1ngs h LEU 18 Ca -0.10 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.34 1ngs h LEU 18 Cb 1.62 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.45 1ngs h LEU 18 CO 0.18 0.72 0.18 0.00 -0.34 0.00 0.00 178.44 179.17 1ngs h ALA 19 N 0.96 1.15 -0.27 1.25 0.00 -1.41 -1.48 119.26 119.47 1ngs h ALA 19 Ca 0.14 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1ngs h ALA 19 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ngs h ALA 19 CO 0.00 0.58 -0.17 0.28 0.00 0.00 0.00 179.25 179.95 1ngs h VAL 20 N 0.91 1.30 -0.96 0.00 2.07 -1.18 -2.11 116.25 116.28 1ngs h VAL 20 Ca 0.20 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1ngs h VAL 20 Cb 0.28 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 1ngs h VAL 20 CO -0.01 0.40 0.62 0.44 0.02 0.00 0.00 177.57 179.05 1ngs h ASP 21 N 0.31 1.01 -0.63 0.57 3.32 -0.62 -0.36 116.42 120.03 1ngs h ASP 21 Ca 0.05 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 1ngs h ASP 21 Cb 0.70 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 1ngs h ASP 21 CO 0.05 0.66 0.09 0.74 -1.72 0.00 0.00 179.24 179.06 1ngs h THR 22 N 1.16 1.26 0.01 0.35 2.02 -1.21 -1.14 112.91 115.37 1ngs h THR 22 Ca 0.40 -1.05 -0.27 0.00 0.77 0.00 0.00 66.41 66.27 1ngs h THR 22 Cb 0.10 0.67 0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1ngs h THR 22 CO -0.15 0.39 -1.06 0.58 0.37 0.00 0.00 175.52 175.64 1ngs h VAL 23 N 1.00 1.28 -0.17 3.16 2.07 -0.83 -3.18 116.25 119.58 1ngs h VAL 23 Ca 0.20 -2.26 -0.01 0.00 0.82 0.00 0.00 66.70 65.44 1ngs h VAL 23 Cb 0.45 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 1ngs h VAL 23 CO 0.02 0.70 0.06 0.28 0.02 0.00 0.00 177.57 178.65 1ngs h SER 24 N 0.39 0.24 -0.97 0.57 0.02 -1.06 -2.06 113.55 110.69 1ngs h SER 24 Ca -0.14 -0.18 0.17 0.00 -0.84 0.00 0.00 61.79 60.81 1ngs h SER 24 Cb 1.72 -0.06 -0.09 0.00 0.14 0.00 0.00 62.40 64.11 1ngs h SER 24 CO 0.21 0.36 0.61 0.50 -1.14 0.00 0.00 176.83 177.36 1ngs h LYS 25 N 0.12 0.71 0.00 3.45 1.63 -1.28 -0.49 116.57 120.72 1ngs h LYS 25 Ca 0.06 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1ngs h LYS 25 Cb 0.19 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 31.66 1ngs h LYS 25 CO -0.00 0.47 -0.36 0.00 -3.45 0.00 0.00 179.45 176.11 1ngs n ALA 26 N -2.39 2.67 -3.49 5.00 0.00 -1.17 -4.93 120.51 116.21 1ngs n ALA 26 Ca 0.21 -0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.23 1ngs n ALA 26 Cb 0.53 -1.29 0.01 0.00 0.00 0.00 0.00 19.45 18.70 1ngs n ALA 26 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ngs n ASN 27 N -2.15 -4.36 -3.64 0.00 4.05 -0.19 -4.92 115.26 104.06 1ngs n ASN 27 Ca 0.04 -0.50 -0.10 0.00 0.45 0.00 0.00 54.58 54.47 1ngs n ASN 27 Cb 0.43 -3.55 -0.07 0.00 1.23 0.00 0.00 39.78 37.82 1ngs n ASN 27 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1ngs s SER 28 N -2.89 -0.70 0.00 1.20 0.15 -1.20 -4.85 113.70 105.41 1ngs s SER 28 Ca 0.47 1.28 0.00 0.00 0.70 0.00 0.00 55.95 58.39 1ngs s SER 28 Cb -0.24 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1ngs s SER 28 CO 0.58 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.41 1ngs n GLY 29 N 3.03 1.74 3.09 9.45 0.00 -1.26 -4.74 105.19 116.50 1ngs n GLY 29 Ca -0.15 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1ngs n GLY 29 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ngs s HIS 30 N -1.43 3.50 0.05 1.61 3.76 -1.26 -2.00 115.29 119.53 1ngs s HIS 30 Ca 0.00 -2.46 0.09 0.00 -0.15 0.00 0.00 55.06 52.54 1ngs s HIS 30 Cb 0.00 -2.59 -0.21 0.00 1.11 0.00 0.00 32.58 30.89 1ngs s HIS 30 CO 0.00 -0.91 1.06 -1.00 -0.85 0.00 0.00 174.74 173.05 1ngs h PRO 31 N 7.84 0.00 0.01 8.40 0.13 -1.71 -3.41 132.00 143.26 1ngs h PRO 31 Ca -0.13 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1ngs h PRO 31 Cb 1.04 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 1ngs h PRO 31 CO 0.55 0.80 -0.23 0.78 -0.23 0.00 0.00 178.00 179.67 1ngs h GLY 32 N 3.20 -1.26 0.99 1.56 0.00 -1.23 -2.74 103.07 103.58 1ngs h GLY 32 Ca -0.11 0.61 -0.00 0.00 0.00 0.00 0.00 47.33 47.83 1ngs h GLY 32 CO 0.11 -0.40 0.30 0.00 0.00 0.00 0.00 176.54 176.55 1ngs h ALA 33 N -1.06 0.63 -0.81 3.60 0.00 -1.83 -1.74 119.26 118.04 1ngs h ALA 33 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 54.91 54.98 1ngs h ALA 33 Cb 0.32 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1ngs h ALA 33 CO -0.15 0.11 0.53 -1.35 0.00 0.00 0.00 179.25 178.40 1ngs h PRO 34 N 0.66 0.60 -0.03 0.00 0.11 -1.79 0.29 132.00 131.83 1ngs h PRO 34 Ca 0.18 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1ngs h PRO 34 Cb -0.01 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.95 1ngs h PRO 34 CO -0.03 0.40 -0.64 -0.07 -0.21 0.00 0.00 178.00 177.44 1ngs h LEU 35 N 0.62 0.15 0.00 2.35 3.38 -1.19 -2.20 115.31 118.41 1ngs h LEU 35 Ca 0.39 -0.09 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 1ngs h LEU 35 Cb 0.66 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1ngs h LEU 35 CO -0.16 0.75 -1.24 1.23 0.09 0.00 0.00 178.44 179.11 1ngs h GLY 36 N 1.69 0.00 -0.50 0.83 0.00 -0.86 -3.36 103.07 100.87 1ngs h GLY 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ngs h GLY 36 CO 0.09 0.00 -0.23 1.03 0.00 0.00 0.00 176.54 177.43 1ngs n MET 37 N -2.89 1.29 -0.13 4.80 2.81 0.89 -4.48 117.12 119.42 1ngs n MET 37 Ca -0.07 -0.90 -0.04 0.00 -1.81 0.00 0.00 57.70 54.88 1ngs n MET 37 Cb 0.78 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.85 1ngs n MET 37 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ngs h ALA 38 N 4.00 0.47 -0.71 3.04 0.00 -1.54 -1.95 119.26 122.58 1ngs h ALA 38 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ngs h ALA 38 Cb 0.63 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1ngs h ALA 38 CO 0.00 -0.32 0.38 -1.35 0.00 0.00 0.00 179.25 177.96 1ngs h PRO 39 N 0.21 1.00 -0.56 0.00 0.11 -1.83 -1.95 132.00 128.97 1ngs h PRO 39 Ca 0.21 -0.12 0.03 0.00 0.11 0.00 0.00 66.00 66.23 1ngs h PRO 39 Cb 0.27 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.15 1ngs h PRO 39 CO -0.28 0.76 0.34 0.00 -0.21 0.00 0.00 178.00 178.60 1ngs h ALA 40 N 1.19 0.73 -0.16 -0.75 0.00 -1.70 -1.48 119.26 117.09 1ngs h ALA 40 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ngs h ALA 40 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ngs h ALA 40 CO -0.04 0.05 0.08 0.00 0.00 0.00 0.00 179.25 179.34 1ngs h ALA 41 N 1.25 0.20 0.05 0.00 0.00 -1.15 0.17 119.26 119.79 1ngs h ALA 41 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1ngs h ALA 41 Cb 0.04 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1ngs h ALA 41 CO -0.11 -0.23 -0.33 1.25 0.00 0.00 0.00 179.25 179.83 1ngs h HIS 42 N 0.13 -0.91 -0.41 0.00 6.17 -1.09 0.16 115.15 119.21 1ngs h HIS 42 Ca 0.05 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.20 1ngs h HIS 42 Cb 0.12 0.39 -0.04 0.00 2.52 0.00 0.00 27.41 30.40 1ngs h HIS 42 CO -0.03 -0.43 0.18 0.28 0.71 0.00 0.00 177.93 178.65 1ngs h VAL 43 N -0.51 0.94 0.28 5.26 2.07 -1.05 -2.03 116.25 121.20 1ngs h VAL 43 Ca 0.05 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1ngs h VAL 43 Cb 0.58 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1ngs h VAL 43 CO -0.24 0.07 -0.13 0.25 0.02 0.00 0.00 177.57 177.54 1ngs h LEU 44 N 0.37 -0.32 -1.64 2.57 5.85 -0.32 -3.17 115.31 118.65 1ngs h LEU 44 Ca 0.18 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.78 1ngs h LEU 44 Cb 0.12 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1ngs h LEU 44 CO -0.15 -0.06 0.25 -0.50 -0.34 0.00 0.00 178.44 177.64 1ngs h TRP 45 N -0.58 0.46 0.00 1.25 4.06 -0.64 -1.70 115.95 118.80 1ngs h TRP 45 Ca -0.04 0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.90 1ngs h TRP 45 Cb 0.42 -0.15 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 1ngs h TRP 45 CO -0.00 0.29 -0.13 0.77 -3.56 0.00 0.00 178.44 175.80 1ngs h SER 46 N 0.49 0.00 -0.24 -3.49 0.02 -1.38 -2.72 113.55 106.23 1ngs h SER 46 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ngs h SER 46 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1ngs h SER 46 CO -0.03 0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.79 1ngs n GLN 47 N -3.72 1.94 -2.96 3.45 -0.00 -0.69 -4.85 117.38 110.56 1ngs n GLN 47 Ca -0.02 -1.82 -0.37 0.00 -0.00 0.00 0.00 57.00 54.79 1ngs n GLN 47 Cb 0.24 -1.33 -0.06 0.00 -0.00 0.00 0.00 30.24 29.08 1ngs n GLN 47 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1ngs s MET 48 N -1.15 4.42 -0.47 2.61 -1.94 -0.91 -5.03 119.30 116.83 1ngs s MET 48 Ca 0.25 1.09 -0.18 0.00 -1.71 0.00 0.00 55.69 55.13 1ngs s MET 48 Cb 0.15 -2.88 0.05 0.00 2.01 0.00 0.00 34.83 34.15 1ngs s MET 48 CO 0.20 0.36 0.53 0.50 -0.01 0.00 0.00 175.02 176.60 1ngs s ARG 49 N -1.93 3.09 0.01 2.03 3.52 -1.26 -4.98 118.95 119.43 1ngs s ARG 49 Ca 0.45 -0.94 -0.22 0.00 -0.13 0.00 0.00 55.73 54.89 1ngs s ARG 49 Cb -0.18 -4.07 0.05 0.00 -1.56 0.00 0.00 34.95 29.19 1ngs s ARG 49 CO 0.23 -1.07 0.49 0.00 -0.81 0.00 0.00 175.30 174.13 1ngs s MET 50 N 2.29 0.94 -0.38 5.12 0.23 -1.26 -0.13 119.30 126.11 1ngs s MET 50 Ca 0.12 -0.13 -0.01 0.00 -1.03 0.00 0.00 55.69 54.65 1ngs s MET 50 Cb -0.20 0.43 0.10 0.00 -1.53 0.00 0.00 34.83 33.63 1ngs s MET 50 CO 0.11 -0.31 0.14 1.21 -2.03 0.00 0.00 175.02 174.14 1ngs s ASN 51 N -1.64 5.08 0.55 -1.18 3.04 -1.26 -4.18 114.94 115.35 1ngs s ASN 51 Ca -0.09 -1.99 0.29 0.00 0.04 0.00 0.00 52.86 51.12 1ngs s ASN 51 Cb -0.02 -1.76 1.60 0.00 -1.54 0.00 0.00 41.25 39.54 1ngs s ASN 51 CO 0.02 -0.47 1.89 -0.65 -3.04 0.00 0.00 177.10 174.85 1ngs h PRO 52 N 7.92 0.00 0.00 0.43 0.11 -1.87 -0.27 132.00 138.32 1ngs h PRO 52 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1ngs h PRO 52 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ngs h PRO 52 CO 0.63 0.00 -0.38 2.41 -0.21 0.00 0.00 178.00 180.45 1ngs n THR 53 N -2.69 0.36 -3.29 -1.15 -1.04 -1.26 -4.47 114.28 100.75 1ngs n THR 53 Ca -0.02 -0.23 -0.15 0.00 -2.04 0.00 0.00 64.05 61.61 1ngs n THR 53 Cb 0.24 -0.25 -0.06 0.00 -1.82 0.00 0.00 70.33 68.43 1ngs n THR 53 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1ngs s ASN 54 N -4.09 0.63 0.00 8.00 3.04 -0.12 -4.99 114.94 117.41 1ngs s ASN 54 Ca 0.09 -1.70 0.20 0.00 0.04 0.00 0.00 52.86 51.48 1ngs s ASN 54 Cb 0.14 0.73 1.18 0.00 -1.54 0.00 0.00 41.25 41.77 1ngs s ASN 54 CO 0.67 -0.21 1.59 -2.65 -3.04 0.00 0.00 177.10 173.45 1ngs n PRO 55 N 3.94 0.67 0.00 0.43 -0.02 -1.21 -2.82 135.00 136.00 1ngs n PRO 55 Ca 0.14 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.70 1ngs n PRO 55 Cb 0.48 -1.46 -0.07 0.00 -0.02 0.00 0.00 33.50 32.43 1ngs n PRO 55 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ngs n ASP 56 N -0.96 0.97 -4.69 2.55 8.00 -1.26 -4.80 116.55 116.35 1ngs n ASP 56 Ca 0.15 -0.98 -0.58 0.00 0.71 0.00 0.00 54.79 54.09 1ngs n ASP 56 Cb 0.07 0.88 -0.07 0.00 -0.02 0.00 0.00 41.12 41.97 1ngs n ASP 56 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1ngs n TRP 57 N -1.08 1.91 0.15 1.24 -0.00 -1.13 -4.81 117.44 113.73 1ngs n TRP 57 Ca 0.04 0.61 0.06 0.00 -0.00 0.00 0.00 57.50 58.21 1ngs n TRP 57 Cb 0.27 -2.41 0.52 0.00 -0.00 0.00 0.00 31.31 29.69 1ngs n TRP 57 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 177.69 178.66 1ngs h ILE 58 N 4.86 1.07 -0.69 5.87 6.09 -1.93 -2.92 117.51 129.86 1ngs h ILE 58 Ca -0.47 -0.25 -0.25 0.00 -1.37 0.00 0.00 64.86 62.53 1ngs h ILE 58 Cb 1.33 0.91 -0.15 0.00 0.47 0.00 0.00 36.82 39.38 1ngs h ILE 58 CO 0.93 0.09 0.31 -3.20 -3.07 0.00 0.00 178.15 173.21 1ngs n ASN 59 N -4.46 4.26 -4.79 2.19 5.15 -1.26 -4.93 115.26 111.42 1ngs n ASN 59 Ca -0.01 -3.11 -0.36 0.00 -0.60 0.00 0.00 54.58 50.50 1ngs n ASN 59 Cb 0.12 -0.73 -0.06 0.00 -0.53 0.00 0.00 39.78 38.58 1ngs n ASN 59 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1ngs s ARG 60 N -2.66 4.52 0.28 1.20 1.70 -1.11 -4.55 118.95 118.32 1ngs s ARG 60 Ca 0.47 1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 56.71 1ngs s ARG 60 Cb 0.38 -2.72 -0.10 0.00 -0.57 0.00 0.00 34.95 31.95 1ngs s ARG 60 CO 0.11 0.24 1.34 -0.51 -1.08 0.00 0.00 175.30 175.41 1ngs s ASP 61 N -1.70 6.77 -0.06 -2.89 1.01 0.82 -4.70 116.67 115.92 1ngs s ASP 61 Ca 0.51 2.61 -0.02 0.00 0.71 0.00 0.00 52.55 56.37 1ngs s ASP 61 Cb -0.17 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.09 1ngs s ASP 61 CO 0.22 -0.57 0.04 -0.13 0.21 0.00 0.00 175.17 174.94 1ngs s ARG 62 N -1.02 3.05 -0.11 8.23 0.52 -0.28 -4.83 118.95 124.51 1ngs s ARG 62 Ca 0.53 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1ngs s ARG 62 Cb -0.40 -2.86 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1ngs s ARG 62 CO 0.47 0.69 -0.17 0.12 0.02 0.00 0.00 175.30 176.43 1ngs s PHE 63 N -1.00 2.13 -0.10 -0.53 5.36 -1.26 -0.23 117.98 122.34 1ngs s PHE 63 Ca 0.17 -1.00 0.02 0.00 -0.96 0.00 0.00 56.93 55.15 1ngs s PHE 63 Cb -0.12 -1.50 -0.01 0.00 -0.34 0.00 0.00 43.02 41.05 1ngs s PHE 63 CO 0.06 -0.49 -0.17 0.08 -1.46 0.00 0.00 175.22 173.24 1ngs s VAL 64 N 0.90 2.71 -0.94 3.12 1.01 0.84 -4.59 120.40 123.46 1ngs s VAL 64 Ca -0.08 -0.80 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1ngs s VAL 64 Cb -0.15 -2.09 0.21 0.00 0.00 0.00 0.00 36.38 34.35 1ngs s VAL 64 CO -0.01 0.55 0.96 -0.22 0.00 0.00 0.00 175.10 176.38 1ngs s LEU 65 N 0.13 6.24 0.20 3.92 2.96 -1.26 -1.74 118.68 129.13 1ngs s LEU 65 Ca -0.09 -2.79 -0.11 0.00 -0.22 0.00 0.00 54.13 50.92 1ngs s LEU 65 Cb -0.15 -2.26 0.15 0.00 0.50 0.00 0.00 46.19 44.43 1ngs s LEU 65 CO 0.05 -0.61 1.85 -1.28 -1.32 0.00 0.00 176.35 175.04 1ngs h SER 66 N 7.68 0.71 -0.43 3.68 0.87 -1.45 -3.12 113.55 121.49 1ngs h SER 66 Ca 0.15 -0.01 -0.71 0.00 -1.23 0.00 0.00 61.79 59.99 1ngs h SER 66 Cb 0.99 -0.16 -0.07 0.00 -0.44 0.00 0.00 62.40 62.72 1ngs h SER 66 CO 0.91 0.50 2.76 -0.46 -0.53 0.00 0.00 176.83 180.00 1ngs n ASN 67 N -4.67 4.28 -0.21 6.23 2.04 -1.21 -4.50 115.26 117.22 1ngs n ASN 67 Ca 0.06 -2.90 0.30 0.00 -0.44 0.00 0.00 54.58 51.60 1ngs n ASN 67 Cb 0.06 -1.64 0.73 0.00 -2.53 0.00 0.00 39.78 36.40 1ngs n ASN 67 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 1ngs h GLY 68 N 10.01 0.01 1.92 4.83 0.00 -1.83 -1.85 103.07 116.17 1ngs h GLY 68 Ca 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1ngs h GLY 68 CO 1.76 -0.00 0.03 1.12 0.00 0.00 0.00 176.54 179.46 1ngs h HIS 69 N 0.00 0.00 -0.14 5.60 2.07 -1.87 -0.32 115.15 120.50 1ngs h HIS 69 Ca 0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.98 1ngs h HIS 69 Cb 1.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.82 1ngs h HIS 69 CO -0.00 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.86 1ngs n ALA 70 N -1.96 2.82 -0.32 6.11 0.00 -0.70 -4.41 120.51 122.05 1ngs n ALA 70 Ca -0.02 -0.44 0.32 0.00 0.00 0.00 0.00 53.44 53.30 1ngs n ALA 70 Cb 0.09 -1.03 0.70 0.00 0.00 0.00 0.00 19.45 19.21 1ngs n ALA 70 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1ngs h VAL 71 N 0.94 0.43 -0.63 0.00 3.04 -1.28 0.09 116.25 118.85 1ngs h VAL 71 Ca 0.00 -0.03 0.14 0.00 -1.01 0.00 0.00 66.70 65.80 1ngs h VAL 71 Cb 0.83 0.34 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 1ngs h VAL 71 CO 0.11 0.01 0.43 0.00 -1.01 0.00 0.00 177.57 177.12 1ngs h ALA 72 N 1.46 2.27 -0.14 3.17 0.00 -1.87 0.14 119.26 124.29 1ngs h ALA 72 Ca 0.57 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.39 1ngs h ALA 72 Cb 2.10 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 1ngs h ALA 72 CO -0.07 -0.44 -0.21 1.25 0.00 0.00 0.00 179.25 179.77 1ngs h LEU 73 N 0.23 0.43 -0.44 0.00 6.46 -1.33 -2.17 115.31 118.49 1ngs h LEU 73 Ca 0.30 -0.53 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 1ngs h LEU 73 Cb 0.87 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1ngs h LEU 73 CO -0.06 0.87 0.24 0.25 -0.62 0.00 0.00 178.44 179.13 1ngs h LEU 74 N -0.00 0.55 -0.95 2.25 5.85 -0.90 -2.21 115.31 119.89 1ngs h LEU 74 Ca 0.01 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1ngs h LEU 74 Cb 0.78 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1ngs h LEU 74 CO 0.05 0.48 0.16 1.88 -0.34 0.00 0.00 178.44 180.67 1ngs h TYR 75 N 0.57 0.96 -0.11 1.25 0.05 -0.95 -1.93 116.97 116.83 1ngs h TYR 75 Ca 0.15 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 58.87 1ngs h TYR 75 Cb 0.05 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 37.48 1ngs h TYR 75 CO -0.02 0.79 -0.07 0.77 -1.05 0.00 0.00 178.16 178.58 1ngs h SER 76 N 0.90 -0.22 -0.43 3.88 0.02 -1.00 -2.04 113.55 114.66 1ngs h SER 76 Ca 0.20 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.21 1ngs h SER 76 Cb 0.30 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1ngs h SER 76 CO -0.00 -0.09 0.26 0.24 -1.14 0.00 0.00 176.83 176.09 1ngs h MET 77 N -0.07 0.51 -0.74 3.45 2.86 -1.17 -1.12 114.93 118.64 1ngs h MET 77 Ca 0.07 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.70 1ngs h MET 77 Cb 0.17 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.67 1ngs h MET 77 CO -0.15 0.33 0.49 -0.07 1.06 0.00 0.00 176.91 178.57 1ngs h LEU 78 N 0.52 0.80 0.14 1.22 3.38 -1.07 0.31 115.31 120.61 1ngs h LEU 78 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ngs h LEU 78 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1ngs h LEU 78 CO -0.07 0.55 -0.07 -0.74 0.09 0.00 0.00 178.44 178.20 1ngs h HIS 79 N 0.93 -0.18 -0.89 1.13 2.76 -0.87 0.16 115.15 118.19 1ngs h HIS 79 Ca 0.29 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.52 1ngs h HIS 79 Cb 0.02 0.06 -0.06 0.00 1.55 0.00 0.00 27.41 28.98 1ngs h HIS 79 CO -0.00 0.28 0.56 -0.07 -1.30 0.00 0.00 177.93 177.40 1ngs h LEU 80 N -0.80 0.88 -0.21 0.26 3.38 -0.97 -1.99 115.31 115.85 1ngs h LEU 80 Ca -0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ngs h LEU 80 Cb 0.54 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1ngs h LEU 80 CO 0.03 0.56 -0.02 0.35 0.09 0.00 0.00 178.44 179.44 1ngs n THR 81 N -4.60 0.00 0.00 0.22 -2.24 0.08 -4.80 114.28 102.94 1ngs n THR 81 Ca 0.13 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1ngs n THR 81 Cb 0.18 -0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1ngs n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ngs n GLY 82 N 1.13 1.05 3.93 3.38 0.00 -0.75 -4.58 105.19 109.35 1ngs n GLY 82 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 1ngs n GLY 82 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ngs s TYR 83 N -2.00 1.72 -1.18 1.61 1.51 0.54 -4.69 117.35 114.85 1ngs s TYR 83 Ca 0.00 0.35 -0.17 0.00 -1.01 0.00 0.00 57.07 56.23 1ngs s TYR 83 Cb 0.00 -4.04 -0.04 0.00 -0.11 0.00 0.00 41.96 37.77 1ngs s TYR 83 CO 0.00 -2.55 2.10 -3.47 -1.11 0.00 0.00 175.55 170.52 1ngs n ASP 84 N -3.71 3.35 -3.48 2.29 2.03 -1.26 -4.71 116.55 111.06 1ngs n ASP 84 Ca 0.15 -2.78 -0.14 0.00 0.52 0.00 0.00 54.79 52.54 1ngs n ASP 84 Cb 0.60 -1.45 -0.11 0.00 -0.72 0.00 0.00 41.12 39.44 1ngs n ASP 84 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1ngs s LEU 85 N 1.92 -0.34 0.45 -2.67 2.96 -1.26 -4.98 118.68 114.76 1ngs s LEU 85 Ca 0.51 0.11 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 1ngs s LEU 85 Cb 0.14 0.73 0.01 0.00 0.50 0.00 0.00 46.19 47.56 1ngs s LEU 85 CO -0.00 -0.30 0.63 -0.94 -1.32 0.00 0.00 176.35 174.41 1ngs s SER 86 N 2.43 5.64 0.37 3.68 1.04 -1.26 -4.31 113.70 121.29 1ngs s SER 86 Ca 0.08 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.44 1ngs s SER 86 Cb -0.15 -1.00 0.74 0.00 0.10 0.00 0.00 66.02 65.71 1ngs s SER 86 CO -0.13 -0.79 1.97 0.40 0.98 0.00 0.00 173.24 175.67 1ngs h ILE 87 N 0.48 1.04 -0.77 -1.02 1.08 -1.99 0.53 117.51 116.87 1ngs h ILE 87 Ca -0.43 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 63.77 1ngs h ILE 87 Cb 1.27 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 1ngs h ILE 87 CO 0.51 0.14 0.43 -0.08 -0.69 0.00 0.00 178.15 178.45 1ngs h GLU 88 N 0.75 1.07 -0.61 2.37 4.57 -1.98 -0.73 114.58 120.02 1ngs h GLU 88 Ca 0.29 -0.12 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1ngs h GLU 88 Cb 0.20 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.55 1ngs h GLU 88 CO -0.09 0.79 0.37 -0.44 -1.18 0.00 0.00 179.01 178.46 1ngs h ASP 89 N 1.06 0.73 -0.58 1.04 3.32 -1.31 -1.61 116.42 119.08 1ngs h ASP 89 Ca 0.27 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1ngs h ASP 89 Cb 0.03 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.36 1ngs h ASP 89 CO -0.04 0.57 0.35 -0.07 -1.72 0.00 0.00 179.24 178.33 1ngs h LEU 90 N 0.82 0.71 0.00 1.55 3.38 -0.90 -1.86 115.31 119.01 1ngs h LEU 90 Ca 0.22 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1ngs h LEU 90 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1ngs h LEU 90 CO -0.04 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.33 1ngs n LYS 91 N -4.41 0.58 -0.53 1.13 5.02 -0.32 -2.58 118.16 117.05 1ngs n LYS 91 Ca 0.06 0.02 0.07 0.00 -2.02 0.00 0.00 58.31 56.43 1ngs n LYS 91 Cb 0.08 -1.50 0.15 0.00 -0.02 0.00 0.00 35.03 33.74 1ngs n LYS 91 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1ngs n GLN 92 N -1.05 1.22 -1.64 1.97 6.02 -0.70 -4.92 117.38 118.28 1ngs n GLN 92 Ca 0.14 -2.80 -0.43 0.00 -0.01 0.00 0.00 57.00 53.90 1ngs n GLN 92 Cb 0.08 -1.34 -0.01 0.00 1.02 0.00 0.00 30.24 30.00 1ngs n GLN 92 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ngs n PHE 93 N -0.97 1.69 -0.83 1.08 7.35 -1.07 -1.69 117.46 123.03 1ngs n PHE 93 Ca 0.15 0.61 -0.03 0.00 -0.76 0.00 0.00 57.45 57.43 1ngs n PHE 93 Cb 0.73 -2.32 -0.01 0.00 0.35 0.00 0.00 39.48 38.23 1ngs n PHE 93 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ngs n ARG 94 N 0.52 -1.87 -3.62 -4.13 1.74 0.19 -4.77 116.66 104.72 1ngs n ARG 94 Ca 0.07 0.44 -0.36 0.00 -0.77 0.00 0.00 57.85 57.24 1ngs n ARG 94 Cb 0.35 -4.39 -0.06 0.00 -1.02 0.00 0.00 32.46 27.34 1ngs n ARG 94 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ngs s GLN 95 N -1.72 3.74 -0.25 5.56 -1.52 -0.68 -4.87 119.66 119.92 1ngs s GLN 95 Ca 0.00 0.17 -0.34 0.00 -1.95 0.00 0.00 55.36 53.23 1ngs s GLN 95 Cb 0.00 -3.09 -0.11 0.00 -0.22 0.00 0.00 33.01 29.59 1ngs s GLN 95 CO 0.00 0.63 2.06 -0.11 -0.25 0.00 0.00 175.29 177.62 1ngs n LEU 96 N 1.27 2.71 0.00 2.90 7.94 -1.26 -1.60 117.00 128.95 1ngs n LEU 96 Ca -0.11 0.61 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1ngs n LEU 96 Cb 0.53 -1.32 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1ngs n LEU 96 CO 0.40 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.79 1ngs n GLY 97 N 5.57 0.56 3.80 -3.96 0.00 -1.26 -5.08 105.19 104.81 1ngs n GLY 97 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1ngs n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ngs s SER 98 N -2.65 3.05 0.00 1.61 1.04 -0.63 -4.93 113.70 111.19 1ngs s SER 98 Ca 0.00 0.73 0.26 0.00 0.48 0.00 0.00 55.95 57.41 1ngs s SER 98 Cb 0.00 -1.11 0.78 0.00 0.10 0.00 0.00 66.02 65.79 1ngs s SER 98 CO 0.00 -2.81 1.59 0.54 0.98 0.00 0.00 173.24 173.53 1ngs n ARG 99 N -3.90 1.87 -3.37 4.02 1.74 -1.26 -4.50 116.66 111.25 1ngs n ARG 99 Ca 0.10 -1.27 -0.28 0.00 -0.77 0.00 0.00 57.85 55.63 1ngs n ARG 99 Cb 0.59 -1.46 -0.07 0.00 -1.02 0.00 0.00 32.46 30.50 1ngs n ARG 99 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1ngs n THR 100 N 0.53 2.60 -1.20 0.55 -2.24 -1.26 -5.04 114.28 108.21 1ngs n THR 100 Ca 0.17 -5.29 -0.29 0.00 -2.27 0.00 0.00 64.05 56.37 1ngs n THR 100 Cb 0.42 -2.07 0.15 0.00 -2.10 0.00 0.00 70.33 66.72 1ngs n THR 100 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ngs s PRO 101 N -2.55 1.08 0.61 -0.78 0.04 -1.26 0.53 135.00 132.67 1ngs s PRO 101 Ca 0.40 0.75 0.31 0.00 0.04 0.00 0.00 61.00 62.49 1ngs s PRO 101 Cb 0.15 -1.79 1.72 0.00 0.04 0.00 0.00 34.50 34.61 1ngs s PRO 101 CO -0.01 -2.35 2.07 0.78 0.04 0.00 0.00 177.00 177.54 1ngs h GLY 102 N -1.62 0.00 -5.32 0.56 0.00 -1.94 -3.42 103.07 91.33 1ngs h GLY 102 Ca -0.51 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.62 1ngs h GLY 102 CO 0.55 0.00 -0.68 0.30 0.00 0.00 0.00 176.54 176.71 1ngs s HIS 103 N -4.48 0.07 0.16 5.60 3.76 -1.26 -4.81 115.29 114.32 1ngs s HIS 103 Ca -0.04 -0.13 -0.34 0.00 -0.15 0.00 0.00 55.06 54.40 1ngs s HIS 103 Cb 0.14 -0.06 -0.15 0.00 1.11 0.00 0.00 32.58 33.63 1ngs s HIS 103 CO 0.48 -0.08 1.46 -2.30 -0.85 0.00 0.00 174.74 173.45 1ngs n PRO 104 N 2.53 1.83 -4.54 8.40 -0.02 -1.26 -4.89 135.00 137.06 1ngs n PRO 104 Ca -0.16 0.66 -0.32 0.00 -2.02 0.00 0.00 63.50 61.66 1ngs n PRO 104 Cb 0.58 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.54 1ngs n PRO 104 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ngs s GLU 105 N 0.46 2.87 0.26 -0.52 2.02 -1.26 -1.97 118.70 120.57 1ngs s GLU 105 Ca 0.78 -0.80 0.15 0.00 0.02 0.00 0.00 54.97 55.12 1ngs s GLU 105 Cb -0.75 -2.36 0.96 0.00 0.10 0.00 0.00 34.13 32.08 1ngs s GLU 105 CO 0.43 -0.06 1.12 0.34 0.02 0.00 0.00 175.26 177.12 1ngs n PHE 106 N 4.19 0.83 0.02 1.61 7.35 -1.25 -1.29 117.46 128.93 1ngs n PHE 106 Ca -0.20 0.84 0.22 0.00 -0.76 0.00 0.00 57.45 57.55 1ngs n PHE 106 Cb 0.51 -1.27 0.65 0.00 0.35 0.00 0.00 39.48 39.73 1ngs n PHE 106 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ngs h GLU 107 N 0.00 0.00 -6.33 -4.13 3.07 -1.89 -3.43 114.58 101.87 1ngs h GLU 107 Ca 0.60 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.91 1ngs h GLU 107 Cb 1.60 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.48 1ngs h GLU 107 CO -0.55 0.00 -0.09 -1.17 -1.40 0.00 0.00 179.01 175.81 1ngs s LEU 108 N -6.98 4.32 0.11 1.33 2.96 -0.41 -5.04 118.68 114.97 1ngs s LEU 108 Ca -0.04 1.06 -0.31 0.00 -0.22 0.00 0.00 54.13 54.62 1ngs s LEU 108 Cb 0.14 -3.31 -0.09 0.00 0.50 0.00 0.00 46.19 43.44 1ngs s LEU 108 CO 0.50 0.08 1.53 -2.84 -1.32 0.00 0.00 176.35 174.30 1ngs s PRO 109 N -2.05 4.24 0.00 0.98 0.02 -1.26 -2.20 135.00 134.73 1ngs s PRO 109 Ca 0.39 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1ngs s PRO 109 Cb -0.15 -3.34 0.00 0.00 0.02 0.00 0.00 34.50 31.04 1ngs s PRO 109 CO 0.19 -0.60 0.00 0.41 -0.33 0.00 0.00 177.00 176.68 1ngs n GLY 110 N 3.74 1.54 3.34 0.52 0.00 -1.26 -4.84 105.19 108.23 1ngs n GLY 110 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1ngs n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ngs s VAL 111 N -2.37 4.32 0.19 1.61 1.01 -0.93 -4.98 120.40 119.24 1ngs s VAL 111 Ca 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 61.98 61.17 1ngs s VAL 111 Cb 0.00 -3.44 0.13 0.00 0.00 0.00 0.00 36.38 33.06 1ngs s VAL 111 CO 0.00 -0.25 1.74 -0.33 0.00 0.00 0.00 175.10 176.26 1ngs h GLU 112 N 8.37 0.00 -2.68 2.72 4.39 -1.84 -3.40 114.58 122.14 1ngs h GLU 112 Ca -0.24 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.50 1ngs h GLU 112 Cb 1.09 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.61 1ngs h GLU 112 CO 0.66 0.38 0.34 0.14 -1.16 0.00 0.00 179.01 179.36 1ngs s VAL 113 N -3.65 0.00 0.04 3.13 -7.23 -1.26 -4.90 120.40 106.53 1ngs s VAL 113 Ca -0.00 -0.04 -0.23 0.00 -1.81 0.00 0.00 61.98 59.90 1ngs s VAL 113 Cb 0.11 -1.04 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 1ngs s VAL 113 CO 0.69 0.00 0.68 -0.89 -0.31 0.00 0.00 175.10 175.27 1ngs s THR 114 N -3.48 4.77 0.19 5.32 2.01 -1.26 -3.79 115.64 119.39 1ngs s THR 114 Ca 0.03 1.44 0.02 0.00 0.31 0.00 0.00 61.69 63.50 1ngs s THR 114 Cb -0.01 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 1ngs s THR 114 CO -0.11 0.42 -0.01 0.42 -0.69 0.00 0.00 174.62 174.66 1ngs s THR 115 N -0.32 0.80 0.00 -0.82 -4.23 -0.83 -4.86 115.64 105.37 1ngs s THR 115 Ca 0.34 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.85 1ngs s THR 115 Cb -0.20 -2.16 0.00 0.00 1.34 0.00 0.00 72.50 71.48 1ngs s THR 115 CO 0.21 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1ngs n GLY 116 N -0.28 -0.25 3.68 3.99 0.00 -1.26 -4.00 105.19 107.06 1ngs n GLY 116 Ca -0.06 0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1ngs n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ngs s PRO 117 N 0.00 4.20 0.60 1.61 0.02 -1.26 -4.71 135.00 135.46 1ngs s PRO 117 Ca 0.00 2.27 -0.18 0.00 0.02 0.00 0.00 61.00 63.11 1ngs s PRO 117 Cb 0.00 -3.66 -0.03 0.00 0.02 0.00 0.00 34.50 30.83 1ngs s PRO 117 CO 0.00 -0.73 1.20 -0.51 -0.33 0.00 0.00 177.00 176.63 1ngs s LEU 118 N 2.83 3.64 0.00 -5.54 1.43 -1.26 -3.47 118.68 116.31 1ngs s LEU 118 Ca 0.73 2.37 0.00 0.00 -1.03 0.00 0.00 54.13 56.20 1ngs s LEU 118 Cb -0.38 -4.60 0.00 0.00 0.03 0.00 0.00 46.19 41.24 1ngs s LEU 118 CO 0.31 -1.63 0.00 0.61 0.23 0.00 0.00 176.35 175.88 1ngs n GLY 119 N 0.47 3.21 0.21 -3.19 0.00 -1.26 -4.90 105.19 99.73 1ngs n GLY 119 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1ngs n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ngs h GLN 120 N 1.83 0.73 -0.63 1.61 1.08 -1.88 -3.29 115.11 114.56 1ngs h GLN 120 Ca 0.00 -0.61 -0.08 0.00 -1.45 0.00 0.00 58.65 56.51 1ngs h GLN 120 Cb 0.00 0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1ngs h GLN 120 CO 0.00 1.22 0.08 0.78 -0.95 0.00 0.00 178.83 179.96 1ngs h GLY 121 N 0.43 1.14 0.94 3.46 0.00 -1.81 -0.91 103.07 106.32 1ngs h GLY 121 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 47.33 46.48 1ngs h GLY 121 CO 0.15 0.72 0.15 1.19 0.00 0.00 0.00 176.54 178.75 1ngs h ILE 122 N 0.97 1.18 -0.57 2.60 6.09 -1.90 -0.86 117.51 125.03 1ngs h ILE 122 Ca 0.19 -0.56 -0.10 0.00 -1.37 0.00 0.00 64.86 63.01 1ngs h ILE 122 Cb 0.46 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 1ngs h ILE 122 CO 0.02 0.20 -0.05 0.28 -3.07 0.00 0.00 178.15 175.53 1ngs h SER 123 N 0.44 1.01 -0.39 2.19 0.02 -1.61 -2.54 113.55 112.68 1ngs h SER 123 Ca 0.12 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1ngs h SER 123 Cb 0.17 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1ngs h SER 123 CO -0.01 1.09 0.22 0.78 -1.14 0.00 0.00 176.83 177.77 1ngs h ASN 124 N 0.93 0.49 -0.17 3.07 -0.26 -1.02 -2.31 115.58 116.30 1ngs h ASN 124 Ca 0.16 -0.09 0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1ngs h ASN 124 Cb 0.61 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 1ngs h ASN 124 CO 0.04 0.43 0.12 0.00 -1.06 0.00 0.00 177.43 176.97 1ngs h ALA 125 N 1.07 2.11 -0.25 -0.83 0.00 -0.84 -1.17 119.26 119.35 1ngs h ALA 125 Ca 0.14 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1ngs h ALA 125 Cb 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ngs h ALA 125 CO -0.02 -0.21 -0.20 0.28 0.00 0.00 0.00 179.25 179.10 1ngs h VAL 126 N 0.00 1.31 -0.90 0.00 2.07 -1.02 -2.50 116.25 115.22 1ngs h VAL 126 Ca 0.08 -1.34 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1ngs h VAL 126 Cb 0.33 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1ngs h VAL 126 CO -0.00 0.42 0.49 1.23 0.02 0.00 0.00 177.57 179.73 1ngs h GLY 127 N 0.29 1.35 1.65 2.17 0.00 -1.05 -1.69 103.07 105.80 1ngs h GLY 127 Ca 0.05 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 1ngs h GLY 127 CO 0.05 0.59 0.16 -0.33 0.00 0.00 0.00 176.54 177.01 1ngs h MET 128 N 1.26 0.45 0.03 4.80 2.86 -1.01 -0.43 114.93 122.89 1ngs h MET 128 Ca 0.32 -0.05 -0.22 0.00 -2.06 0.00 0.00 59.70 57.69 1ngs h MET 128 Cb 0.03 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1ngs h MET 128 CO -0.05 0.36 -1.00 0.00 1.06 0.00 0.00 176.91 177.28 1ngs h ALA 129 N 1.72 0.37 -0.21 6.32 0.00 -0.97 -2.12 119.26 124.36 1ngs h ALA 129 Ca 0.12 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 1ngs h ALA 129 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ngs h ALA 129 CO -0.02 1.08 -0.02 0.52 0.00 0.00 0.00 179.25 180.81 1ngs h MET 130 N 0.04 0.39 -0.95 0.00 2.86 -0.62 -0.68 114.93 115.97 1ngs h MET 130 Ca -0.05 -0.13 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 1ngs h MET 130 Cb 1.71 -0.03 -0.05 0.00 0.06 0.00 0.00 31.60 33.30 1ngs h MET 130 CO 0.15 0.60 0.63 0.00 1.06 0.00 0.00 176.91 179.34 1ngs h ALA 131 N 0.78 1.20 0.05 6.32 0.00 -1.12 -0.45 119.26 126.03 1ngs h ALA 131 Ca 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1ngs h ALA 131 Cb 0.44 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ngs h ALA 131 CO 0.01 0.60 -0.03 0.37 0.00 0.00 0.00 179.25 180.21 1ngs h GLN 132 N 1.29 -0.07 -0.49 0.00 -0.00 -1.19 0.47 115.11 115.11 1ngs h GLN 132 Ca 0.35 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 59.05 1ngs h GLN 132 Cb -0.15 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 27.32 1ngs h GLN 132 CO -0.07 0.08 0.33 0.00 0.00 0.00 0.00 178.83 179.16 1ngs h ALA 133 N 0.73 1.83 -0.04 3.38 0.00 -0.70 -0.46 119.26 124.00 1ngs h ALA 133 Ca -0.01 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ngs h ALA 133 Cb 0.18 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1ngs h ALA 133 CO 0.01 0.10 -0.73 -0.97 0.00 0.00 0.00 179.25 177.67 1ngs h ASN 134 N 0.50 0.71 -0.43 0.00 -0.73 -0.76 -2.59 115.58 112.29 1ngs h ASN 134 Ca 0.21 -0.71 -0.01 0.00 1.87 0.00 0.00 56.30 57.65 1ngs h ASN 134 Cb 0.19 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 38.54 1ngs h ASN 134 CO -0.05 1.32 0.24 0.25 -0.37 0.00 0.00 177.43 178.81 1ngs h LEU 135 N 0.16 0.53 -0.54 0.34 5.85 -0.13 -2.18 115.31 119.34 1ngs h LEU 135 Ca -0.08 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1ngs h LEU 135 Cb 1.40 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 1ngs h LEU 135 CO 0.15 0.47 0.26 0.00 -0.34 0.00 0.00 178.44 178.98 1ngs h ALA 136 N 1.09 0.70 0.00 1.25 0.00 -1.16 -1.14 119.26 120.00 1ngs h ALA 136 Ca 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ngs h ALA 136 Cb 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ngs h ALA 136 CO -0.02 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1ngs h ALA 137 N 1.10 1.00 0.01 0.00 0.00 -1.23 -1.98 119.26 118.15 1ngs h ALA 137 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.73 1ngs h ALA 137 Cb 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1ngs h ALA 137 CO -0.02 0.00 -2.31 2.41 0.00 0.00 0.00 179.25 179.33 1ngs n THR 138 N -2.54 1.46 -0.05 0.00 -1.04 -0.84 -4.75 114.28 106.52 1ngs n THR 138 Ca 0.01 -0.77 -0.06 0.00 -2.04 0.00 0.00 64.05 61.20 1ngs n THR 138 Cb 0.25 -0.82 -0.06 0.00 -1.82 0.00 0.00 70.33 67.88 1ngs n THR 138 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ngs n TYR 139 N -2.94 0.00 -1.70 -1.42 4.01 -0.48 -5.00 117.16 109.63 1ngs n TYR 139 Ca -0.34 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 56.97 1ngs n TYR 139 Cb 1.10 -0.44 -0.01 0.00 -0.31 0.00 0.00 39.34 39.68 1ngs n TYR 139 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ngs n ASN 140 N -2.50 2.92 -4.17 7.72 3.02 -0.75 -4.89 115.26 116.62 1ngs n ASN 140 Ca -0.16 1.18 -0.10 0.00 -0.03 0.00 0.00 54.58 55.47 1ngs n ASN 140 Cb 0.76 -1.49 -0.10 0.00 -0.61 0.00 0.00 39.78 38.35 1ngs n ASN 140 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ngs s LYS 141 N -1.33 0.84 0.08 3.52 3.01 -0.76 -4.92 119.74 120.18 1ngs s LYS 141 Ca 0.60 -1.35 -0.31 0.00 -1.01 0.00 0.00 55.97 53.90 1ngs s LYS 141 Cb -0.58 -0.15 -0.09 0.00 -1.01 0.00 0.00 37.83 36.00 1ngs s LYS 141 CO 0.57 -0.05 1.71 -1.25 0.51 0.00 0.00 175.35 176.84 1ngs s PRO 142 N -3.86 4.18 0.00 -1.68 0.05 -1.26 -0.40 135.00 132.03 1ngs s PRO 142 Ca 0.13 2.40 0.00 0.00 0.05 0.00 0.00 61.00 63.58 1ngs s PRO 142 Cb 0.06 -3.63 0.00 0.00 0.05 0.00 0.00 34.50 30.98 1ngs s PRO 142 CO -0.04 -0.77 0.00 0.41 0.05 0.00 0.00 177.00 176.64 1ngs n GLY 143 N 4.08 2.89 2.83 0.56 0.00 -1.26 -4.99 105.19 109.31 1ngs n GLY 143 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1ngs n GLY 143 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ngs s PHE 144 N -2.71 2.60 -1.02 1.61 0.40 0.46 -5.02 117.98 114.30 1ngs s PHE 144 Ca 0.00 -2.77 -0.15 0.00 -0.60 0.00 0.00 56.93 53.42 1ngs s PHE 144 Cb 0.00 -2.35 0.19 0.00 0.51 0.00 0.00 43.02 41.36 1ngs s PHE 144 CO 0.00 -0.78 1.14 0.99 0.70 0.00 0.00 175.22 177.27 1ngs s THR 145 N 0.14 5.22 0.02 0.64 2.01 -1.26 -1.82 115.64 120.58 1ngs s THR 145 Ca 0.17 -2.39 0.18 0.00 0.31 0.00 0.00 61.69 59.97 1ngs s THR 145 Cb -0.25 -4.73 0.13 0.00 0.01 0.00 0.00 72.50 67.67 1ngs s THR 145 CO -0.01 -1.39 1.63 -0.07 -0.69 0.00 0.00 174.62 174.09 1ngs h LEU 146 N 9.03 0.00 -7.67 4.42 3.38 -1.91 -3.44 115.31 119.12 1ngs h LEU 146 Ca 0.20 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.75 1ngs h LEU 146 Cb 0.96 0.00 -0.35 0.00 0.09 0.00 0.00 40.66 41.36 1ngs h LEU 146 CO 1.06 0.39 -0.77 -0.55 0.09 0.00 0.00 178.44 178.66 1ngs s SER 147 N -6.39 1.11 0.00 -0.43 0.15 -1.26 -4.74 113.70 102.13 1ngs s SER 147 Ca 0.02 -0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1ngs s SER 147 Cb 0.09 -0.45 0.00 0.00 -1.71 0.00 0.00 66.02 63.96 1ngs s SER 147 CO 0.70 -0.09 0.30 -0.90 1.20 0.00 0.00 173.24 174.45 1ngs n ASP 148 N 4.34 0.00 -4.69 5.45 5.68 -1.26 -4.74 116.55 121.33 1ngs n ASP 148 Ca -0.20 -0.76 -0.31 0.00 -0.50 0.00 0.00 54.79 53.02 1ngs n ASP 148 Cb 0.51 0.00 0.15 0.00 -1.14 0.00 0.00 41.12 40.64 1ngs n ASP 148 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ngs s ASN 149 N 0.00 3.24 0.25 -1.12 4.22 -1.26 -5.05 114.94 115.21 1ngs s ASN 149 Ca 0.00 1.92 0.06 0.00 -2.14 0.00 0.00 52.86 52.70 1ngs s ASN 149 Cb 0.00 -2.47 -0.03 0.00 1.28 0.00 0.00 41.25 40.02 1ngs s ASN 149 CO 0.00 -2.85 0.28 -0.31 -2.04 0.00 0.00 177.10 172.17 1ngs s TYR 150 N -2.74 3.27 -0.25 1.54 2.02 -1.26 -4.98 117.35 114.95 1ngs s TYR 150 Ca 0.65 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 57.29 1ngs s TYR 150 Cb -0.21 -1.49 0.06 0.00 -0.40 0.00 0.00 41.96 39.93 1ngs s TYR 150 CO 0.58 0.48 -0.06 0.99 -1.57 0.00 0.00 175.55 175.97 1ngs s THR 151 N -2.06 1.70 0.03 -0.71 2.01 -0.52 -1.13 115.64 114.96 1ngs s THR 151 Ca 0.33 -1.37 0.00 0.00 0.31 0.00 0.00 61.69 60.96 1ngs s THR 151 Cb -0.08 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 1ngs s THR 151 CO 0.27 -0.12 0.12 -0.31 -0.69 0.00 0.00 174.62 173.89 1ngs s TYR 152 N 1.31 3.34 -0.01 4.92 2.02 0.68 -1.19 117.35 128.41 1ngs s TYR 152 Ca -0.06 0.20 -0.04 0.00 -0.37 0.00 0.00 57.07 56.80 1ngs s TYR 152 Cb -0.19 -1.72 -0.00 0.00 -0.40 0.00 0.00 41.96 39.65 1ngs s TYR 152 CO -0.06 0.56 0.09 0.08 -1.57 0.00 0.00 175.55 174.65 1ngs s VAL 153 N -1.32 0.06 -0.11 0.71 1.01 -0.45 -0.11 120.40 120.19 1ngs s VAL 153 Ca 0.27 -0.50 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1ngs s VAL 153 Cb -0.12 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.95 1ngs s VAL 153 CO 0.19 -0.27 -0.17 -0.36 0.00 0.00 0.00 175.10 174.48 1ngs s PHE 154 N -0.90 2.70 0.06 5.22 0.40 -0.71 -0.00 117.98 124.75 1ngs s PHE 154 Ca -0.10 -0.75 -0.06 0.00 -0.60 0.00 0.00 56.93 55.42 1ngs s PHE 154 Cb -0.06 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1ngs s PHE 154 CO 0.01 -0.25 0.11 -0.48 0.70 0.00 0.00 175.22 175.30 1ngs s LEU 155 N 0.24 1.78 0.00 -0.37 2.34 -0.63 -1.16 118.68 120.88 1ngs s LEU 155 Ca -0.12 -0.69 0.00 0.00 0.06 0.00 0.00 54.13 53.38 1ngs s LEU 155 Cb -0.16 0.72 0.00 0.00 -0.56 0.00 0.00 46.19 46.19 1ngs s LEU 155 CO 0.06 -0.63 0.00 0.61 -1.06 0.00 0.00 176.35 175.33 1ngs n GLY 156 N 0.22 4.03 0.37 -3.48 0.00 -1.26 -0.59 105.19 104.48 1ngs n GLY 156 Ca -0.16 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.60 1ngs n GLY 156 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ngs h ASP 157 N 0.30 1.07 -0.59 1.61 3.32 -1.89 -2.57 116.42 117.67 1ngs h ASP 157 Ca -0.10 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.98 1ngs h ASP 157 Cb 0.31 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 1ngs h ASP 157 CO 0.17 0.77 0.29 1.23 -1.72 0.00 0.00 179.24 179.98 1ngs h GLY 158 N 1.26 0.84 1.00 2.75 0.00 -1.96 -1.75 103.07 105.22 1ngs h GLY 158 Ca 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ngs h GLY 158 CO -0.08 0.10 0.39 0.00 0.00 0.00 0.00 176.54 176.94 1ngs n LEU 160 N -4.50 0.49 0.01 0.00 4.77 -0.90 -3.10 117.00 113.78 1ngs n LEU 160 Ca 0.06 0.59 -0.03 0.00 -0.03 0.00 0.00 56.01 56.60 1ngs n LEU 160 Cb 0.09 -0.49 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1ngs n LEU 160 CO 0.37 -0.35 -0.38 0.00 -1.33 0.00 0.00 177.39 175.71 1ngs n GLN 161 N -2.01 0.62 -2.42 3.23 6.02 -0.71 -4.89 117.38 117.22 1ngs n GLN 161 Ca 0.04 0.25 -0.42 0.00 -0.01 0.00 0.00 57.00 56.85 1ngs n GLN 161 Cb 0.28 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.71 1ngs n GLN 161 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1ngs s GLU 162 N -2.81 4.40 0.51 -1.09 0.41 -1.12 -4.93 118.70 114.05 1ngs s GLU 162 Ca -0.04 1.76 0.29 0.00 -0.41 0.00 0.00 54.97 56.57 1ngs s GLU 162 Cb 0.08 -3.42 1.39 0.00 -1.78 0.00 0.00 34.13 30.40 1ngs s GLU 162 CO 0.82 -0.34 1.86 0.78 -0.49 0.00 0.00 175.26 177.89 1ngs h GLY 163 N 7.31 0.26 1.43 -1.39 0.00 -1.90 -1.79 103.07 106.99 1ngs h GLY 163 Ca -0.39 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1ngs h GLY 163 CO 0.84 -0.01 0.36 1.19 0.00 0.00 0.00 176.54 178.92 1ngs h ILE 164 N 0.10 1.15 0.00 2.60 2.10 -1.91 -1.17 117.51 120.39 1ngs h ILE 164 Ca 0.47 -0.31 -0.08 0.00 1.08 0.00 0.00 64.86 66.02 1ngs h ILE 164 Cb 1.68 0.33 -0.01 0.00 -1.09 0.00 0.00 36.82 37.73 1ngs h ILE 164 CO -0.06 0.15 -0.38 0.77 -1.08 0.00 0.00 178.15 177.55 1ngs h SER 165 N 0.78 0.00 -0.03 2.19 4.64 -1.50 -1.89 113.55 117.73 1ngs h SER 165 Ca 0.21 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.49 1ngs h SER 165 Cb -0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1ngs h SER 165 CO -0.04 0.38 -0.12 0.28 -0.87 0.00 0.00 176.83 176.46 1ngs h SER 166 N 0.00 0.16 -0.18 4.97 0.02 -1.36 -0.92 113.55 116.24 1ngs h SER 166 Ca -0.00 -0.64 0.05 0.00 -0.84 0.00 0.00 61.79 60.36 1ngs h SER 166 Cb 1.01 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.44 1ngs h SER 166 CO 0.05 0.77 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.91 1ngs h GLU 167 N -0.45 -0.31 -0.71 3.45 5.08 -1.11 -0.40 114.58 120.14 1ngs h GLU 167 Ca -0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1ngs h GLU 167 Cb 0.76 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1ngs h GLU 167 CO 0.03 -0.21 0.38 0.00 -1.00 0.00 0.00 179.01 178.21 1ngs h ALA 168 N 0.61 1.35 0.00 3.43 0.00 -1.40 -1.93 119.26 121.32 1ngs h ALA 168 Ca 0.11 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1ngs h ALA 168 Cb 0.50 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1ngs h ALA 168 CO -0.36 0.53 -0.43 0.77 0.00 0.00 0.00 179.25 179.76 1ngs h SER 169 N 0.98 0.00 0.10 0.00 0.02 -0.69 0.25 113.55 114.22 1ngs h SER 169 Ca 0.25 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1ngs h SER 169 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ngs h SER 169 CO -0.04 0.43 -0.05 -1.28 -1.14 0.00 0.00 176.83 174.75 1ngs h SER 170 N 0.00 -0.11 -0.15 3.07 0.87 -0.53 -2.00 113.55 114.69 1ngs h SER 170 Ca -0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1ngs h SER 170 Cb 1.00 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1ngs h SER 170 CO 0.06 0.34 0.09 0.25 -0.53 0.00 0.00 176.83 177.04 1ngs h LEU 171 N -0.60 0.16 -0.90 2.23 5.85 -1.27 -1.38 115.31 119.41 1ngs h LEU 171 Ca -0.01 -0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.87 1ngs h LEU 171 Cb 0.48 -0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 1ngs h LEU 171 CO 0.02 0.11 0.48 0.00 -0.34 0.00 0.00 178.44 178.72 1ngs h ALA 172 N 1.06 1.40 -0.13 1.25 0.00 -0.48 0.21 119.26 122.57 1ngs h ALA 172 Ca 0.06 0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1ngs h ALA 172 Cb -0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1ngs h ALA 172 CO -0.02 -0.09 -0.57 0.78 0.00 0.00 0.00 179.25 179.34 1ngs h GLY 173 N 0.65 0.44 0.99 0.00 0.00 -0.98 -2.34 103.07 101.82 1ngs h GLY 173 Ca 0.50 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 47.23 1ngs h GLY 173 CO -0.38 0.47 -0.03 0.84 0.00 0.00 0.00 176.54 177.45 1ngs h HIS 174 N 0.31 0.89 0.00 5.60 6.17 0.42 -2.84 115.15 125.69 1ngs h HIS 174 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 60.37 60.92 1ngs h HIS 174 Cb 1.10 -0.23 0.00 0.00 2.52 0.00 0.00 27.41 30.80 1ngs h HIS 174 CO 0.03 0.87 0.00 1.28 0.71 0.00 0.00 177.93 180.82 1ngs n LEU 175 N -4.36 0.00 -3.53 0.26 4.77 0.21 -4.79 117.00 109.57 1ngs n LEU 175 Ca -0.00 0.43 -0.19 0.00 -0.03 0.00 0.00 56.01 56.22 1ngs n LEU 175 Cb 0.32 -0.43 0.07 0.00 -2.33 0.00 0.00 43.42 41.05 1ngs n LEU 175 CO 0.42 -0.11 0.08 0.29 -1.33 0.00 0.00 177.39 176.74 1ngs n LYS 176 N -1.43 -6.26 -2.27 3.23 5.02 -0.90 -4.46 118.16 111.09 1ngs n LYS 176 Ca 0.07 0.78 -0.43 0.00 -2.02 0.00 0.00 58.31 56.71 1ngs n LYS 176 Cb 0.23 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.57 1ngs n LYS 176 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ngs n LEU 177 N -4.27 5.70 0.17 -0.35 4.77 -1.13 -4.27 117.00 117.62 1ngs n LEU 177 Ca -0.25 -4.03 0.12 0.00 -0.03 0.00 0.00 56.01 51.82 1ngs n LEU 177 Cb 0.66 -1.71 0.62 0.00 -2.33 0.00 0.00 43.42 40.66 1ngs n LEU 177 CO 0.64 0.54 0.86 1.23 -1.33 0.00 0.00 177.39 179.33 1ngs h GLY 178 N 11.45 0.00 -0.68 -0.72 0.00 -1.60 -2.18 103.07 109.34 1ngs h GLY 178 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.82 1ngs h GLY 178 CO 1.62 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.86 1ngs n ASN 179 N -2.32 1.66 -4.58 0.19 4.13 -1.26 -4.59 115.26 108.48 1ngs n ASN 179 Ca -0.01 -1.60 -0.39 0.00 1.68 0.00 0.00 54.58 54.25 1ngs n ASN 179 Cb 0.06 -0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.16 1ngs n ASN 179 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ngs s LEU 180 N -1.84 4.15 -0.15 3.41 2.96 -0.82 -1.44 118.68 124.96 1ngs s LEU 180 Ca 0.36 0.06 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1ngs s LEU 180 Cb 0.20 -2.32 0.02 0.00 0.50 0.00 0.00 46.19 44.59 1ngs s LEU 180 CO 0.31 -0.19 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.39 1ngs s ILE 181 N 1.98 1.49 -0.15 6.68 1.01 -0.34 -1.54 121.20 130.33 1ngs s ILE 181 Ca 0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1ngs s ILE 181 Cb -0.16 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.86 1ngs s ILE 181 CO 0.11 0.42 -0.08 0.00 0.00 0.00 0.00 174.94 175.39 1ngs s ALA 182 N 1.52 2.82 -0.28 9.38 0.00 -0.09 -1.33 121.76 133.77 1ngs s ALA 182 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 1ngs s ALA 182 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 23.12 21.58 1ngs s ALA 182 CO -0.10 0.19 0.06 0.42 0.00 0.00 0.00 175.76 176.33 1ngs s ILE 183 N 0.42 3.86 -0.26 0.00 1.01 1.00 -0.86 121.20 126.37 1ngs s ILE 183 Ca -0.07 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 59.80 1ngs s ILE 183 Cb -0.15 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.33 1ngs s ILE 183 CO 0.04 0.15 0.35 -0.47 0.00 0.00 0.00 174.94 175.01 1ngs s TYR 184 N 1.50 3.26 -1.11 3.97 5.04 -0.03 -1.60 117.35 128.38 1ngs s TYR 184 Ca 0.03 0.41 -0.22 0.00 -2.44 0.00 0.00 57.07 54.85 1ngs s TYR 184 Cb -0.17 -2.54 0.03 0.00 0.35 0.00 0.00 41.96 39.64 1ngs s TYR 184 CO 0.01 -0.18 1.66 0.34 -1.34 0.00 0.00 175.55 176.04 1ngs s ASP 185 N 1.55 6.28 -1.26 4.32 2.15 0.24 -1.37 116.67 128.58 1ngs s ASP 185 Ca 0.15 -1.69 -0.13 0.00 0.43 0.00 0.00 52.55 51.31 1ngs s ASP 185 Cb -0.16 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.04 1ngs s ASP 185 CO 0.09 -1.72 1.65 -0.67 -0.17 0.00 0.00 175.17 174.36 1ngs n ASP 186 N 9.96 5.06 -0.84 -0.34 2.03 -0.26 -4.34 116.55 127.83 1ngs n ASP 186 Ca 0.40 -3.00 0.11 0.00 0.52 0.00 0.00 54.79 52.82 1ngs n ASP 186 Cb 0.48 -1.57 0.09 0.00 -0.72 0.00 0.00 41.12 39.40 1ngs n ASP 186 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1ngs n ASN 187 N 5.52 2.75 -0.47 1.67 0.23 -1.26 -2.95 115.26 120.76 1ngs n ASN 187 Ca 0.40 -1.88 -0.06 0.00 -0.53 0.00 0.00 54.58 52.51 1ngs n ASN 187 Cb 0.41 0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 1ngs n ASN 187 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1ngs n LYS 188 N 1.16 -0.75 -4.03 -3.83 4.01 -1.26 -4.50 118.16 108.95 1ngs n LYS 188 Ca 0.12 0.62 -0.13 0.00 -0.51 0.00 0.00 58.31 58.41 1ngs n LYS 188 Cb 0.53 -4.44 -0.13 0.00 -0.51 0.00 0.00 35.03 30.48 1ngs n LYS 188 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1ngs s ILE 189 N -2.06 0.28 0.17 -0.18 -1.09 -1.26 -2.22 121.20 114.84 1ngs s ILE 189 Ca 0.00 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1ngs s ILE 189 Cb 0.00 -0.29 -0.01 0.00 -1.58 0.00 0.00 42.46 40.57 1ngs s ILE 189 CO 0.00 -0.11 0.15 0.35 -1.23 0.00 0.00 174.94 174.10 1ngs n THR 190 N 2.48 0.00 0.18 2.92 -2.24 -0.42 -4.86 114.28 112.35 1ngs n THR 190 Ca -0.16 -1.21 -0.15 0.00 -2.27 0.00 0.00 64.05 60.26 1ngs n THR 190 Cb 0.57 0.62 -0.07 0.00 -2.10 0.00 0.00 70.33 69.35 1ngs n THR 190 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1ngs h ILE 191 N 1.54 0.28 0.00 2.28 2.04 -1.99 -2.75 117.51 118.92 1ngs h ILE 191 Ca -0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1ngs h ILE 191 Cb 0.61 0.28 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1ngs h ILE 191 CO 0.18 0.00 -0.00 0.44 0.00 0.00 0.00 178.15 178.76 1ngs h ASP 192 N -0.67 0.00 0.00 1.72 5.19 -1.98 -3.48 116.42 117.20 1ngs h ASP 192 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1ngs h ASP 192 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1ngs h ASP 192 CO -0.11 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.63 1ngs n GLY 193 N -1.01 0.29 3.78 2.75 0.00 -1.04 -5.10 105.19 104.86 1ngs n GLY 193 Ca -0.03 -1.12 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 1ngs n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngs s ALA 194 N -1.00 2.93 0.29 4.61 0.00 -1.26 -1.30 121.76 126.03 1ngs s ALA 194 Ca 0.00 0.81 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 1ngs s ALA 194 Cb 0.00 -3.33 0.40 0.00 0.00 0.00 0.00 23.12 20.19 1ngs s ALA 194 CO 0.00 -0.53 1.95 1.79 0.00 0.00 0.00 175.76 178.97 1ngs h THR 195 N 1.77 1.22 -0.09 0.00 1.35 -1.75 -2.44 112.91 112.97 1ngs h THR 195 Ca -0.49 -0.44 0.03 0.00 -0.55 0.00 0.00 66.41 64.95 1ngs h THR 195 Cb 1.24 0.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1ngs h THR 195 CO 0.60 0.22 0.46 0.77 -0.25 0.00 0.00 175.52 177.32 1ngs h SER 196 N 1.14 0.00 0.63 5.36 4.64 -1.87 0.80 113.55 124.25 1ngs h SER 196 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1ngs h SER 196 Cb -0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1ngs h SER 196 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 1ngs n ILE 197 N -2.97 0.87 -0.79 0.95 0.13 -0.92 -4.39 119.36 112.25 1ngs n ILE 197 Ca 0.00 0.21 0.00 0.00 -1.10 0.00 0.00 62.75 61.86 1ngs n ILE 197 Cb 0.53 -1.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.33 1ngs n ILE 197 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1ngs n SER 198 N -1.72 0.00 -3.43 9.51 3.41 0.34 -5.06 113.62 116.67 1ngs n SER 198 Ca 0.03 -0.30 -0.28 0.00 -0.26 0.00 0.00 58.87 58.06 1ngs n SER 198 Cb 0.21 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.05 1ngs n SER 198 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ngs s PHE 199 N 0.00 1.06 -0.15 7.33 5.36 0.25 -4.95 117.98 126.89 1ngs s PHE 199 Ca 0.00 -2.17 0.15 0.00 -0.96 0.00 0.00 56.93 53.95 1ngs s PHE 199 Cb 0.00 -0.97 0.33 0.00 -0.34 0.00 0.00 43.02 42.04 1ngs s PHE 199 CO 0.00 -0.82 1.17 -0.40 -1.46 0.00 0.00 175.22 173.71 1ngs n ASP 200 N 3.14 1.94 -4.71 6.13 5.68 -1.26 -4.12 116.55 123.35 1ngs n ASP 200 Ca 0.25 -3.28 -0.29 0.00 -0.50 0.00 0.00 54.79 50.96 1ngs n ASP 200 Cb 0.45 -0.45 0.15 0.00 -1.14 0.00 0.00 41.12 40.13 1ngs n ASP 200 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1ngs s GLU 201 N -2.74 0.95 -0.89 0.11 -1.05 -1.26 -4.97 118.70 108.85 1ngs s GLU 201 Ca 0.32 0.66 -0.15 0.00 -0.15 0.00 0.00 54.97 55.66 1ngs s GLU 201 Cb 0.30 -1.79 0.19 0.00 -0.44 0.00 0.00 34.13 32.40 1ngs s GLU 201 CO -0.01 -2.41 0.92 0.34 0.95 0.00 0.00 175.26 175.04 1ngs s ASP 202 N -3.48 6.76 0.22 0.83 -1.08 -1.26 -4.89 116.67 113.76 1ngs s ASP 202 Ca 0.64 -2.53 -0.07 0.00 -0.52 0.00 0.00 52.55 50.06 1ngs s ASP 202 Cb -0.18 -2.28 0.30 0.00 -1.46 0.00 0.00 42.92 39.30 1ngs s ASP 202 CO 0.57 -0.72 1.81 0.58 0.52 0.00 0.00 175.17 177.93 1ngs h VAL 203 N 5.07 0.95 -0.35 1.11 2.07 -1.98 -0.52 116.25 122.59 1ngs h VAL 203 Ca 0.13 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ngs h VAL 203 Cb 1.02 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1ngs h VAL 203 CO 0.89 0.14 0.20 0.00 0.02 0.00 0.00 177.57 178.81 1ngs h ALA 204 N 1.39 0.44 -0.06 1.67 0.00 -1.99 0.32 119.26 121.03 1ngs h ALA 204 Ca 0.34 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1ngs h ALA 204 Cb 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1ngs h ALA 204 CO -0.20 -0.16 -0.60 -0.22 0.00 0.00 0.00 179.25 178.07 1ngs h LYS 205 N 0.40 0.21 -0.32 0.00 3.64 -1.84 -2.42 116.57 116.24 1ngs h LYS 205 Ca 0.14 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.27 1ngs h LYS 205 Cb 0.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1ngs h LYS 205 CO -0.08 0.75 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.51 1ngs h ARG 206 N 0.16 0.63 -0.20 1.90 2.43 -0.69 -2.73 114.38 115.88 1ngs h ARG 206 Ca -0.01 -0.25 -0.15 0.00 -0.81 0.00 0.00 59.98 58.76 1ngs h ARG 206 Cb 1.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1ngs h ARG 206 CO 0.09 0.82 -0.50 1.88 -1.51 0.00 0.00 179.97 180.75 1ngs h TYR 207 N 0.55 0.67 -0.10 2.20 -1.99 -0.66 -3.01 116.97 114.64 1ngs h TYR 207 Ca 0.08 -0.22 -0.08 0.00 2.00 0.00 0.00 58.73 60.50 1ngs h TYR 207 Cb 0.72 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1ngs h TYR 207 CO 0.03 0.94 -0.31 0.93 -0.00 0.00 0.00 178.16 179.74 1ngs h GLU 208 N 0.43 0.19 -0.01 4.88 5.08 -1.36 -1.83 114.58 121.95 1ngs h GLU 208 Ca 0.02 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1ngs h GLU 208 Cb 1.03 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1ngs h GLU 208 CO 0.09 0.49 -0.17 0.00 -1.00 0.00 0.00 179.01 178.42 1ngs h ALA 209 N 1.52 1.70 0.00 3.43 0.00 -1.35 -2.06 119.26 122.50 1ngs h ALA 209 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ngs h ALA 209 Cb 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1ngs h ALA 209 CO 0.05 0.23 0.00 1.88 0.00 0.00 0.00 179.25 181.40 1ngs h TYR 210 N 0.02 0.00 0.00 0.00 0.05 -1.30 -3.47 116.97 112.27 1ngs h TYR 210 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ngs h TYR 210 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 1ngs h TYR 210 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.16 177.52 1ngs n GLY 211 N 1.25 1.14 3.92 3.88 0.00 -0.77 -4.02 105.19 110.59 1ngs n GLY 211 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 1ngs n GLY 211 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ngs s TRP 212 N -2.00 3.37 -0.09 1.61 0.52 -0.95 -4.48 118.94 116.91 1ngs s TRP 212 Ca 0.00 0.60 -0.03 0.00 0.02 0.00 0.00 56.10 56.69 1ngs s TRP 212 Cb 0.00 -2.45 -0.03 0.00 -1.15 0.00 0.00 33.47 29.83 1ngs s TRP 212 CO 0.00 -0.49 0.04 -2.00 0.02 0.00 0.00 176.95 174.52 1ngs s GLU 213 N -4.78 3.09 -0.13 4.98 2.12 -0.04 -4.24 118.70 119.72 1ngs s GLU 213 Ca 0.50 -0.34 0.01 0.00 0.36 0.00 0.00 54.97 55.50 1ngs s GLU 213 Cb -0.10 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.41 1ngs s GLU 213 CO 0.43 0.72 -0.15 0.08 -0.54 0.00 0.00 175.26 175.80 1ngs s VAL 214 N -0.92 1.57 0.21 3.70 1.01 -1.26 0.21 120.40 124.92 1ngs s VAL 214 Ca 0.14 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1ngs s VAL 214 Cb -0.11 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 1ngs s VAL 214 CO 0.03 0.46 -0.01 -0.76 0.00 0.00 0.00 175.10 174.81 1ngs s LEU 215 N 1.18 3.23 0.09 3.92 1.43 0.11 -4.97 118.68 123.66 1ngs s LEU 215 Ca -0.02 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.66 1ngs s LEU 215 Cb -0.14 -1.83 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 1ngs s LEU 215 CO -0.05 0.06 -0.23 -0.31 0.23 0.00 0.00 176.35 176.04 1ngs s TYR 216 N -1.95 1.98 -0.23 0.29 1.51 -1.26 -0.89 117.35 116.81 1ngs s TYR 216 Ca 0.28 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.91 1ngs s TYR 216 Cb -0.08 -1.10 0.07 0.00 -0.11 0.00 0.00 41.96 40.74 1ngs s TYR 216 CO 0.19 0.22 0.08 0.08 -1.11 0.00 0.00 175.55 175.00 1ngs s VAL 217 N -1.04 0.34 0.17 0.71 1.01 -0.64 -4.93 120.40 116.02 1ngs s VAL 217 Ca 0.09 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 1ngs s VAL 217 Cb -0.10 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.20 1ngs s VAL 217 CO 0.04 -0.41 1.49 1.05 0.00 0.00 0.00 175.10 177.28 1ngs h GLU 218 N 8.29 0.70 -2.72 2.72 4.11 -1.88 -0.89 114.58 124.90 1ngs h GLU 218 Ca -0.16 -0.41 -0.70 0.00 0.07 0.00 0.00 59.36 58.16 1ngs h GLU 218 Cb 1.09 0.04 -0.35 0.00 0.50 0.00 0.00 28.75 30.02 1ngs h GLU 218 CO 0.37 1.03 0.02 -1.71 0.07 0.00 0.00 179.01 178.79 1ngs n ASN 219 N -4.00 4.82 0.12 3.06 2.85 -1.26 -4.40 115.26 116.44 1ngs n ASN 219 Ca -0.03 -3.36 0.11 0.00 -0.11 0.00 0.00 54.58 51.19 1ngs n ASN 219 Cb 0.58 -0.97 0.47 0.00 1.24 0.00 0.00 39.78 41.10 1ngs n ASN 219 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1ngs n GLY 220 N 1.36 -1.22 0.14 8.20 0.00 0.37 -0.75 105.19 113.30 1ngs n GLY 220 Ca 0.27 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.35 1ngs n GLY 220 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ngs h ASN 221 N 0.00 0.01 0.00 1.61 2.35 -1.86 -3.43 115.58 114.27 1ngs h ASN 221 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1ngs h ASN 221 Cb 0.33 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1ngs h ASN 221 CO 0.00 0.59 0.00 -1.84 -1.65 0.00 0.00 177.43 174.53 1ngs n GLU 222 N -3.85 0.00 -2.18 0.81 0.28 -1.02 -4.88 120.64 109.80 1ngs n GLU 222 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.16 56.58 1ngs n GLU 222 Cb 0.59 -0.02 -0.01 0.00 1.43 0.00 0.00 31.44 33.42 1ngs n GLU 222 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1ngs n ASP 223 N 0.00 4.18 -0.21 -1.84 2.03 0.07 -4.78 116.55 116.01 1ngs n ASP 223 Ca 0.00 -2.84 -0.04 0.00 0.52 0.00 0.00 54.79 52.42 1ngs n ASP 223 Cb 0.02 -1.68 0.06 0.00 -0.72 0.00 0.00 41.12 38.80 1ngs n ASP 223 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1ngs h LEU 224 N 12.95 0.60 -1.19 -2.67 3.38 -1.94 -1.32 115.31 125.12 1ngs h LEU 224 Ca 0.44 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.35 1ngs h LEU 224 Cb 0.81 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1ngs h LEU 224 CO 1.56 0.42 -0.12 0.00 0.09 0.00 0.00 178.44 180.39 1ngs h ALA 225 N 1.27 1.33 -0.12 1.53 0.00 -1.99 -0.78 119.26 120.50 1ngs h ALA 225 Ca 0.24 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1ngs h ALA 225 Cb 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngs h ALA 225 CO -0.10 0.45 -0.74 0.78 0.00 0.00 0.00 179.25 179.64 1ngs h GLY 226 N 0.88 0.65 1.01 0.00 0.00 -1.74 -1.48 103.07 102.38 1ngs h GLY 226 Ca 0.07 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.42 1ngs h GLY 226 CO 0.03 0.81 -0.02 -2.22 0.00 0.00 0.00 176.54 175.13 1ngs h ILE 227 N 0.40 1.26 -0.57 2.60 2.04 -1.05 -1.39 117.51 120.81 1ngs h ILE 227 Ca -0.04 -1.10 -0.03 0.00 1.00 0.00 0.00 64.86 64.70 1ngs h ILE 227 Cb 1.34 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.41 1ngs h ILE 227 CO 0.14 0.38 0.25 0.00 0.00 0.00 0.00 178.15 178.92 1ngs h ALA 228 N 0.92 1.36 -0.27 1.87 0.00 -1.03 -1.36 119.26 120.74 1ngs h ALA 228 Ca 0.13 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1ngs h ALA 228 Cb 0.54 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ngs h ALA 228 CO 0.03 0.49 -0.45 0.87 0.00 0.00 0.00 179.25 180.19 1ngs h LYS 229 N 0.82 0.79 -0.40 0.00 1.79 -0.99 -1.98 116.57 116.59 1ngs h LYS 229 Ca 0.20 -0.48 0.01 0.00 -2.18 0.00 0.00 60.65 58.20 1ngs h LYS 229 Cb 0.13 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1ngs h LYS 229 CO -0.02 1.11 0.26 0.00 -1.08 0.00 0.00 179.45 179.72 1ngs h ALA 230 N 0.67 0.51 -0.60 3.86 0.00 -0.86 0.27 119.26 123.11 1ngs h ALA 230 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1ngs h ALA 230 Cb 1.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ngs h ALA 230 CO 0.10 -0.05 -0.02 0.82 0.00 0.00 0.00 179.25 180.10 1ngs h ILE 231 N 0.53 1.27 0.05 0.00 2.04 -1.21 -1.72 117.51 118.46 1ngs h ILE 231 Ca 0.15 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1ngs h ILE 231 Cb -0.04 0.82 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1ngs h ILE 231 CO -0.04 0.43 -0.02 0.00 0.00 0.00 0.00 178.15 178.51 1ngs h ALA 232 N 0.99 -0.06 -0.82 1.87 0.00 -0.99 -2.13 119.26 118.12 1ngs h ALA 232 Ca 0.17 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1ngs h ALA 232 Cb 0.58 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1ngs h ALA 232 CO 0.03 -0.46 0.51 0.37 0.00 0.00 0.00 179.25 179.70 1ngs h GLN 233 N -0.21 0.90 -0.85 0.00 5.75 -0.95 -1.95 115.11 117.79 1ngs h GLN 233 Ca -0.01 -0.05 0.08 0.00 -0.15 0.00 0.00 58.65 58.51 1ngs h GLN 233 Cb 0.19 -0.20 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 1ngs h GLN 233 CO 0.01 0.59 0.55 0.00 -2.65 0.00 0.00 178.83 177.34 1ngs h ALA 234 N 1.39 1.61 0.00 3.38 0.00 -1.02 -1.27 119.26 123.35 1ngs h ALA 234 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1ngs h ALA 234 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1ngs h ALA 234 CO -0.17 0.25 0.00 0.87 0.00 0.00 0.00 179.25 180.19 1ngs h LYS 235 N 0.90 0.00 0.00 0.00 1.57 -0.68 -2.73 116.57 115.63 1ngs h LYS 235 Ca 0.37 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.01 1ngs h LYS 235 Cb 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1ngs h LYS 235 CO -0.14 0.00 -0.84 -0.07 -0.57 0.00 0.00 179.45 177.82 1ngs h LEU 236 N 0.00 0.00 -8.08 2.94 3.38 -1.18 -3.42 115.31 108.96 1ngs h LEU 236 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 1ngs h LEU 236 Cb 0.41 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 1ngs h LEU 236 CO 0.00 0.62 0.94 -0.44 0.09 0.00 0.00 178.44 179.65 1ngs s SER 237 N -6.32 5.10 0.19 -0.43 0.01 -1.03 -4.77 113.70 106.45 1ngs s SER 237 Ca 0.02 -1.26 0.02 0.00 1.31 0.00 0.00 55.95 56.03 1ngs s SER 237 Cb 0.08 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.84 1ngs s SER 237 CO 0.78 -2.92 1.46 0.11 0.41 0.00 0.00 173.24 173.08 1ngs h LYS 238 N 10.36 0.30 -0.55 12.44 1.57 -1.81 -3.29 116.57 135.60 1ngs h LYS 238 Ca 0.17 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ngs h LYS 238 Cb 0.97 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1ngs h LYS 238 CO 1.22 0.90 0.00 -0.40 -0.57 0.00 0.00 179.45 180.60 1ngs n ASP 239 N -3.81 3.40 -3.79 0.86 5.75 -1.26 -2.59 116.55 115.11 1ngs n ASP 239 Ca -0.03 -1.98 -0.14 0.00 -0.01 0.00 0.00 54.79 52.63 1ngs n ASP 239 Cb 0.70 -0.36 -0.15 0.00 -1.03 0.00 0.00 41.12 40.28 1ngs n ASP 239 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ngs s LYS 240 N -1.28 0.00 0.57 0.11 1.02 -1.24 -4.62 119.74 114.30 1ngs s LYS 240 Ca 0.42 0.18 -0.17 0.00 0.02 0.00 0.00 55.97 56.42 1ngs s LYS 240 Cb 0.23 -0.17 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 1ngs s LYS 240 CO 0.30 -0.13 1.06 -1.25 -0.92 0.00 0.00 175.35 174.42 1ngs s PRO 241 N 0.81 3.39 -0.07 -1.68 0.04 -1.24 -3.82 135.00 132.43 1ngs s PRO 241 Ca -0.07 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1ngs s PRO 241 Cb -0.09 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 1ngs s PRO 241 CO -0.03 -0.76 -0.15 0.99 0.04 0.00 0.00 177.00 177.08 1ngs s THR 242 N -2.27 2.93 -0.12 1.26 2.01 -0.59 -0.86 115.64 118.01 1ngs s THR 242 Ca 0.66 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1ngs s THR 242 Cb -0.17 -2.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1ngs s THR 242 CO 0.32 0.57 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.45 1ngs s LEU 243 N -0.42 2.55 -0.34 4.42 2.96 0.13 -0.91 118.68 127.06 1ngs s LEU 243 Ca 0.05 -0.39 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1ngs s LEU 243 Cb -0.12 -1.55 0.08 0.00 0.50 0.00 0.00 46.19 45.09 1ngs s LEU 243 CO 0.02 0.17 0.07 -0.63 -1.32 0.00 0.00 176.35 174.66 1ngs s ILE 244 N 0.32 2.93 -0.80 6.68 1.01 -0.04 -0.71 121.20 130.58 1ngs s ILE 244 Ca -0.13 -1.78 -0.26 0.00 0.00 0.00 0.00 60.65 58.48 1ngs s ILE 244 Cb -0.16 -2.87 0.04 0.00 0.01 0.00 0.00 42.46 39.47 1ngs s ILE 244 CO 0.06 -0.38 1.31 -0.75 0.00 0.00 0.00 174.94 175.19 1ngs s LYS 245 N 1.15 3.28 -0.27 2.79 2.20 -0.06 -0.85 119.74 127.98 1ngs s LYS 245 Ca 0.02 -0.45 -0.09 0.00 -0.36 0.00 0.00 55.97 55.09 1ngs s LYS 245 Cb -0.21 -4.45 -0.03 0.00 -1.51 0.00 0.00 37.83 31.63 1ngs s LYS 245 CO -0.03 -2.16 0.12 1.41 -0.36 0.00 0.00 175.35 174.33 1ngs s MET 246 N 5.54 3.69 -0.01 4.03 -2.45 -0.47 -1.63 119.30 128.00 1ngs s MET 246 Ca 0.37 -0.47 -0.28 0.00 -1.25 0.00 0.00 55.69 54.06 1ngs s MET 246 Cb -0.06 -3.46 -0.04 0.00 1.25 0.00 0.00 34.83 32.52 1ngs s MET 246 CO 0.09 -0.22 0.89 0.99 1.05 0.00 0.00 175.02 177.82 1ngs s THR 247 N 1.66 4.88 0.30 10.11 2.01 -0.34 -1.10 115.64 133.16 1ngs s THR 247 Ca 0.06 1.87 -0.00 0.00 0.31 0.00 0.00 61.69 63.93 1ngs s THR 247 Cb -0.16 -4.23 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 1ngs s THR 247 CO 0.06 0.21 0.34 0.42 -0.69 0.00 0.00 174.62 174.96 1ngs s THR 248 N 0.80 0.00 -0.25 -0.82 -4.23 -1.15 -0.47 115.64 109.52 1ngs s THR 248 Ca 0.47 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1ngs s THR 248 Cb -0.20 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1ngs s THR 248 CO 0.25 0.00 -0.02 -0.89 -0.54 0.00 0.00 174.62 173.42 1ngs s THR 249 N -3.51 3.36 0.22 3.99 2.01 -1.26 -4.22 115.64 116.23 1ngs s THR 249 Ca 0.35 -0.70 -0.32 0.00 0.31 0.00 0.00 61.69 61.34 1ngs s THR 249 Cb 0.02 -2.63 -0.12 0.00 0.01 0.00 0.00 72.50 69.79 1ngs s THR 249 CO 0.20 0.28 1.67 -0.51 -0.69 0.00 0.00 174.62 175.57 1ngs s ILE 250 N 1.44 2.12 -0.67 1.82 2.07 -1.26 -2.09 121.20 124.62 1ngs s ILE 250 Ca 0.03 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.36 1ngs s ILE 250 Cb -0.16 -3.06 0.00 0.00 0.13 0.00 0.00 42.46 39.38 1ngs s ILE 250 CO -0.02 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.63 1ngs n GLY 251 N 3.57 0.72 3.61 1.50 0.00 -0.69 -0.01 105.19 113.90 1ngs n GLY 251 Ca 0.14 -0.73 -0.62 0.00 0.00 0.00 0.00 46.02 44.81 1ngs n GLY 251 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1ngs n TYR 252 N -3.06 1.18 0.00 1.61 9.36 -0.89 -0.57 117.16 124.79 1ngs n TYR 252 Ca -0.07 1.06 0.00 0.00 3.32 0.00 0.00 57.90 62.22 1ngs n TYR 252 Cb 0.29 -2.17 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 1ngs n TYR 252 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ngs n GLY 253 N 2.66 3.05 3.78 2.98 0.00 -1.26 -4.82 105.19 111.57 1ngs n GLY 253 Ca 0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.94 1ngs n GLY 253 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngs s SER 254 N 0.76 5.16 0.53 1.61 0.15 0.26 -4.65 113.70 117.53 1ngs s SER 254 Ca 0.00 1.94 0.34 0.00 0.70 0.00 0.00 55.95 58.93 1ngs s SER 254 Cb 0.00 -2.54 1.44 0.00 -1.71 0.00 0.00 66.02 63.20 1ngs s SER 254 CO 0.00 -1.59 2.00 -0.07 1.20 0.00 0.00 173.24 174.77 1ngs h LEU 255 N -0.05 0.00 -3.59 3.45 3.38 -1.85 -2.91 115.31 113.73 1ngs h LEU 255 Ca -0.46 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.09 1ngs h LEU 255 Cb 1.24 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.70 1ngs h LEU 255 CO 0.54 0.00 -0.45 1.41 0.09 0.00 0.00 178.44 180.04 1ngs n HIS 256 N -3.00 2.09 -2.05 1.13 8.25 -1.26 -5.05 115.22 115.33 1ngs n HIS 256 Ca 0.00 -2.10 -0.42 0.00 -0.26 0.00 0.00 57.72 54.94 1ngs n HIS 256 Cb 0.27 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 1ngs n HIS 256 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngs s ALA 257 N -3.51 3.63 0.00 -1.41 0.00 -1.10 -2.58 121.76 116.79 1ngs s ALA 257 Ca 0.50 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.73 1ngs s ALA 257 Cb 0.42 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1ngs s ALA 257 CO 0.01 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1ngs n GLY 258 N 2.69 0.93 3.87 0.00 0.00 0.98 -4.97 105.19 108.70 1ngs n GLY 258 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1ngs n GLY 258 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngs s SER 259 N -2.80 6.11 0.00 1.61 0.15 -1.06 -4.92 113.70 112.78 1ngs s SER 259 Ca 0.00 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.03 1ngs s SER 259 Cb 0.00 -1.82 0.96 0.00 -1.71 0.00 0.00 66.02 63.45 1ngs s SER 259 CO 0.00 0.18 1.53 0.00 1.20 0.00 0.00 173.24 176.15 1ngs n HIS 260 N 0.41 0.00 0.22 3.44 -0.00 -1.26 -2.49 115.22 115.54 1ngs n HIS 260 Ca -0.07 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.75 1ngs n HIS 260 Cb 0.51 -0.21 0.45 0.00 -0.00 0.00 0.00 29.99 30.74 1ngs n HIS 260 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ngs h SER 261 N 0.00 0.00 -0.16 4.39 4.64 -1.93 -2.48 113.55 118.00 1ngs h SER 261 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngs h SER 261 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1ngs h SER 261 CO 0.00 0.24 0.00 1.33 -0.87 0.00 0.00 176.83 177.53 1ngs n VAL 262 N -3.42 0.21 0.27 0.95 0.24 -1.04 -4.32 118.33 111.22 1ngs n VAL 262 Ca -0.00 -0.34 -0.11 0.00 -2.04 0.00 0.00 64.34 61.85 1ngs n VAL 262 Cb 0.43 0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 33.10 1ngs n VAL 262 CO 0.00 0.00 0.00 -0.74 -2.14 0.00 0.00 176.83 173.95 1ngs h HIS 263 N 2.15 -0.65 -0.93 6.34 -0.00 -1.61 -0.53 115.15 119.91 1ngs h HIS 263 Ca 0.00 -0.02 -0.43 0.00 -0.00 0.00 0.00 60.37 59.92 1ngs h HIS 263 Cb 0.47 0.22 -0.41 0.00 -0.00 0.00 0.00 27.41 27.68 1ngs h HIS 263 CO 0.10 -0.40 -0.98 0.41 -0.00 0.00 0.00 177.93 177.06 1ngs n GLY 264 N -0.65 3.82 2.96 5.26 0.00 -1.26 -3.91 105.19 111.41 1ngs n GLY 264 Ca -0.09 -1.92 -0.12 0.00 0.00 0.00 0.00 46.02 43.89 1ngs n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngs s ALA 265 N -3.51 -0.23 0.31 4.61 0.00 -0.85 -4.49 121.76 117.61 1ngs s ALA 265 Ca 0.38 0.28 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 1ngs s ALA 265 Cb 0.40 -0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.25 1ngs s ALA 265 CO -0.04 -0.05 1.42 -1.25 0.00 0.00 0.00 175.76 175.84 1ngs s PRO 266 N 0.12 4.25 0.68 0.00 0.04 -1.25 -4.39 135.00 134.45 1ngs s PRO 266 Ca -0.01 2.36 -0.17 0.00 0.04 0.00 0.00 61.00 63.22 1ngs s PRO 266 Cb -0.01 -3.06 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 1ngs s PRO 266 CO -0.00 -0.38 1.07 1.28 0.04 0.00 0.00 177.00 179.00 1ngs n LEU 267 N 1.39 4.32 -4.75 -3.56 4.77 -1.26 -4.94 117.00 112.97 1ngs n LEU 267 Ca 0.03 0.73 -0.41 0.00 -0.03 0.00 0.00 56.01 56.34 1ngs n LEU 267 Cb 0.40 -1.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.01 1ngs n LEU 267 CO 0.61 -1.70 0.95 -0.54 -1.33 0.00 0.00 177.39 175.38 1ngs s LYS 268 N -3.27 4.42 0.29 3.23 3.01 -1.26 -4.81 119.74 121.34 1ngs s LYS 268 Ca 0.77 2.08 -0.05 0.00 -1.01 0.00 0.00 55.97 57.76 1ngs s LYS 268 Cb -0.37 -3.14 0.55 0.00 -1.01 0.00 0.00 37.83 33.86 1ngs s LYS 268 CO 0.47 -0.14 1.57 0.00 0.51 0.00 0.00 175.35 177.75 1ngs h ALA 269 N 4.27 0.83 -0.49 5.17 0.00 -1.99 0.45 119.26 127.49 1ngs h ALA 269 Ca -0.47 0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ngs h ALA 269 Cb 1.22 0.69 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 1ngs h ALA 269 CO 0.71 -0.45 0.06 0.38 0.00 0.00 0.00 179.25 179.95 1ngs h ASP 270 N 0.00 0.74 -0.36 0.00 2.03 -1.99 -1.14 116.42 115.71 1ngs h ASP 270 Ca 0.51 -0.15 -0.07 0.00 -0.73 0.00 0.00 57.03 56.59 1ngs h ASP 270 Cb 0.89 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.18 1ngs h ASP 270 CO -0.97 0.77 -0.02 -0.78 -1.03 0.00 0.00 179.24 177.20 1ngs h ASP 271 N 0.74 0.71 -0.46 4.15 3.58 -0.52 -1.61 116.42 123.02 1ngs h ASP 271 Ca 0.16 -0.17 -0.10 0.00 0.42 0.00 0.00 57.03 57.34 1ngs h ASP 271 Cb 0.36 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 1ngs h ASP 271 CO 0.01 0.80 -0.09 0.58 -2.88 0.00 0.00 179.24 177.66 1ngs h VAL 272 N 0.69 1.27 -0.17 2.25 2.07 -0.61 -2.10 116.25 119.65 1ngs h VAL 272 Ca 0.13 -1.20 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1ngs h VAL 272 Cb 0.46 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1ngs h VAL 272 CO 0.02 0.41 0.10 0.11 0.02 0.00 0.00 177.57 178.23 1ngs h LYS 273 N 0.71 0.24 -0.41 1.57 1.57 -0.80 -1.29 116.57 118.16 1ngs h LYS 273 Ca 0.12 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1ngs h LYS 273 Cb 0.62 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1ngs h LYS 273 CO 0.04 0.22 0.16 -0.56 -0.57 0.00 0.00 179.45 178.74 1ngs h GLN 274 N 0.19 0.58 0.14 3.15 -0.00 -1.23 -1.08 115.11 116.87 1ngs h GLN 274 Ca 0.06 -0.08 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1ngs h GLN 274 Cb 0.05 -0.11 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 1ngs h GLN 274 CO -0.01 0.49 -0.07 1.25 -0.00 0.00 0.00 178.83 180.49 1ngs h LEU 275 N 0.58 -0.16 0.04 0.06 5.85 -0.97 0.98 115.31 121.69 1ngs h LEU 275 Ca 0.14 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ngs h LEU 275 Cb 0.13 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.16 1ngs h LEU 275 CO -0.01 0.09 -0.23 0.11 -0.34 0.00 0.00 178.44 178.06 1ngs h LYS 276 N -0.43 -0.36 -0.31 1.25 1.57 -0.89 -1.04 116.57 116.37 1ngs h LYS 276 Ca -0.02 0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1ngs h LYS 276 Cb 0.34 0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1ngs h LYS 276 CO 0.03 -0.24 -0.15 0.77 -0.57 0.00 0.00 179.45 179.29 1ngs h SER 277 N -0.38 -0.52 -0.86 0.86 0.02 -1.07 0.20 113.55 111.81 1ngs h SER 277 Ca 0.05 0.12 0.21 0.00 -0.84 0.00 0.00 61.79 61.33 1ngs h SER 277 Cb 0.44 0.28 -0.12 0.00 0.14 0.00 0.00 62.40 63.14 1ngs h SER 277 CO -0.18 -0.19 0.33 0.50 -1.14 0.00 0.00 176.83 176.15 1ngs h LYS 278 N -0.11 0.35 -0.60 3.45 3.64 -0.31 0.26 116.57 123.24 1ngs h LYS 278 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ngs h LYS 278 Cb 0.35 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1ngs h LYS 278 CO -0.38 0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.23 1ngs n PHE 279 N -5.08 0.87 -1.14 1.91 3.72 -0.15 -4.90 117.46 112.68 1ngs n PHE 279 Ca 0.20 -0.34 -0.05 0.00 -0.05 0.00 0.00 57.45 57.21 1ngs n PHE 279 Cb 0.61 -0.18 -0.02 0.00 -0.94 0.00 0.00 39.48 38.95 1ngs n PHE 279 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ngs n GLY 280 N 0.71 0.76 3.79 1.37 0.00 0.91 -5.02 105.19 107.70 1ngs n GLY 280 Ca 0.14 -0.78 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1ngs n GLY 280 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ngs s PHE 281 N -2.17 3.16 -0.25 1.61 0.40 0.51 -4.97 117.98 116.27 1ngs s PHE 281 Ca 0.00 0.02 -0.29 0.00 -0.60 0.00 0.00 56.93 56.06 1ngs s PHE 281 Cb 0.00 -1.55 -0.02 0.00 0.51 0.00 0.00 43.02 41.96 1ngs s PHE 281 CO 0.00 0.52 1.56 1.21 0.70 0.00 0.00 175.22 179.21 1ngs s ASN 282 N -2.83 6.40 0.00 1.36 3.84 -1.26 -2.89 114.94 119.56 1ngs s ASN 282 Ca 0.30 1.47 0.01 0.00 0.21 0.00 0.00 52.86 54.85 1ngs s ASN 282 Cb -0.11 -2.53 0.03 0.00 -0.55 0.00 0.00 41.25 38.09 1ngs s ASN 282 CO 0.23 -1.27 0.97 -0.81 -2.79 0.00 0.00 177.10 173.43 1ngs n PRO 283 N 7.68 0.00 0.00 0.43 -0.04 -1.26 -1.93 135.00 139.88 1ngs n PRO 283 Ca 0.18 0.43 0.11 0.00 -0.04 0.00 0.00 63.50 64.18 1ngs n PRO 283 Cb 0.46 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.48 1ngs n PRO 283 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ngs n ASP 284 N -1.44 2.54 -4.50 3.54 8.00 -1.26 -4.69 116.55 118.73 1ngs n ASP 284 Ca 0.00 -1.77 -0.29 0.00 0.71 0.00 0.00 54.79 53.44 1ngs n ASP 284 Cb 0.01 0.14 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 1ngs n ASP 284 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1ngs s LYS 285 N -1.95 1.81 0.10 -1.24 1.02 -0.81 -5.13 119.74 113.54 1ngs s LYS 285 Ca 0.23 -1.18 0.07 0.00 0.02 0.00 0.00 55.97 55.11 1ngs s LYS 285 Cb 0.18 -2.12 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1ngs s LYS 285 CO 0.34 0.48 -0.17 -1.12 -0.92 0.00 0.00 175.35 173.96 1ngs s SER 286 N -2.18 2.19 -1.28 2.83 0.01 -1.26 -4.81 113.70 109.19 1ngs s SER 286 Ca 0.18 -0.70 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 1ngs s SER 286 Cb -0.10 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1ngs s SER 286 CO 0.11 -0.03 0.92 0.49 0.41 0.00 0.00 173.24 175.14 1ngs n PHE 287 N 0.96 -2.19 -3.52 2.43 3.01 -1.26 -4.98 117.46 111.92 1ngs n PHE 287 Ca -0.19 0.91 -0.38 0.00 1.01 0.00 0.00 57.45 58.81 1ngs n PHE 287 Cb 0.55 -4.76 -0.09 0.00 -0.01 0.00 0.00 39.48 35.17 1ngs n PHE 287 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1ngs s VAL 288 N -3.46 5.27 -0.31 -4.37 1.01 -1.26 -5.06 120.40 112.22 1ngs s VAL 288 Ca 0.13 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1ngs s VAL 288 Cb -0.06 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1ngs s VAL 288 CO 0.77 0.28 -0.01 -0.69 0.00 0.00 0.00 175.10 175.44 1ngs s VAL 289 N 1.36 2.24 0.23 2.92 1.01 -1.26 -4.90 120.40 122.00 1ngs s VAL 289 Ca 0.13 -2.09 -0.31 0.00 0.00 0.00 0.00 61.98 59.71 1ngs s VAL 289 Cb -0.14 -2.54 -0.14 0.00 0.00 0.00 0.00 36.38 33.56 1ngs s VAL 289 CO 0.07 -0.39 1.35 -2.65 0.00 0.00 0.00 175.10 173.48 1ngs n PRO 290 N 4.32 1.87 -0.28 2.72 -0.02 -1.26 -4.85 135.00 137.50 1ngs n PRO 290 Ca -0.03 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.21 1ngs n PRO 290 Cb 0.42 -2.29 0.24 0.00 -0.02 0.00 0.00 33.50 31.86 1ngs n PRO 290 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1ngs h GLN 291 N 3.96 0.40 -0.30 -0.52 5.75 -2.00 0.27 115.11 122.66 1ngs h GLN 291 Ca -0.45 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.12 1ngs h GLN 291 Cb 1.29 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1ngs h GLN 291 CO 0.74 0.26 0.30 0.93 -2.65 0.00 0.00 178.83 178.41 1ngs h GLU 292 N 0.41 0.00 -0.05 1.69 3.07 -1.98 0.37 114.58 118.09 1ngs h GLU 292 Ca 0.49 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 59.28 1ngs h GLU 292 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1ngs h GLU 292 CO -0.48 0.00 -0.23 0.28 -1.40 0.00 0.00 179.01 177.18 1ngs h VAL 293 N 0.00 1.45 -0.58 3.13 2.07 -0.81 -1.83 116.25 119.68 1ngs h VAL 293 Ca 0.14 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.99 1ngs h VAL 293 Cb 0.73 2.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.87 1ngs h VAL 293 CO -0.00 0.47 0.38 1.88 0.02 0.00 0.00 177.57 180.32 1ngs h TYR 294 N -0.29 0.73 -0.39 1.57 0.05 -0.92 -1.77 116.97 115.95 1ngs h TYR 294 Ca -0.01 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1ngs h TYR 294 Cb 0.89 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.36 1ngs h TYR 294 CO 0.14 0.47 0.07 -0.44 -1.05 0.00 0.00 178.16 177.35 1ngs h ASP 295 N 0.79 0.55 0.15 3.88 3.32 -1.11 -2.06 116.42 121.93 1ngs h ASP 295 Ca 0.21 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1ngs h ASP 295 Cb -0.08 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.33 1ngs h ASP 295 CO -0.05 0.57 -0.07 -0.74 -1.72 0.00 0.00 179.24 177.23 1ngs h HIS 296 N 0.58 -0.19 -0.06 4.55 2.76 -0.47 -2.79 115.15 119.52 1ngs h HIS 296 Ca 0.13 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.22 1ngs h HIS 296 Cb 0.26 0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1ngs h HIS 296 CO 0.01 0.18 -0.30 1.88 -1.30 0.00 0.00 177.93 178.40 1ngs h TYR 297 N -0.59 0.13 -0.49 5.26 0.05 -1.42 -0.10 116.97 119.81 1ngs h TYR 297 Ca -0.02 -0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.75 1ngs h TYR 297 Cb 0.45 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.13 1ngs h TYR 297 CO 0.05 0.41 0.31 0.37 -1.05 0.00 0.00 178.16 178.24 1ngs h GLN 298 N 0.11 0.60 -0.04 4.88 5.75 -1.39 0.52 115.11 125.54 1ngs h GLN 298 Ca 0.01 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1ngs h GLN 298 Cb 0.59 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.00 1ngs h GLN 298 CO 0.04 0.40 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.29 1ngs h LYS 299 N 0.62 0.15 0.00 1.69 3.64 -1.15 0.15 116.57 121.67 1ngs h LYS 299 Ca 0.19 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1ngs h LYS 299 Cb -0.03 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1ngs h LYS 299 CO -0.06 0.70 -0.24 1.79 -2.27 0.00 0.00 179.45 179.37 1ngs h THR 300 N -0.38 0.00 0.00 1.00 1.35 -1.01 -3.38 112.91 110.49 1ngs h THR 300 Ca -0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1ngs h THR 300 Cb 0.71 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1ngs h THR 300 CO 0.02 0.00 0.00 -0.38 -0.25 0.00 0.00 175.52 174.91 1ngs n ILE 301 N -2.97 0.70 0.20 6.82 5.41 0.11 -4.69 119.36 124.94 1ngs n ILE 301 Ca 0.03 0.23 -0.16 0.00 1.00 0.00 0.00 62.75 63.85 1ngs n ILE 301 Cb 0.53 -1.17 -0.08 0.00 -0.71 0.00 0.00 39.64 38.21 1ngs n ILE 301 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1ngs h LEU 302 N 0.00 -1.20 -0.11 1.39 6.46 -1.26 -0.13 115.31 120.45 1ngs h LEU 302 Ca 0.00 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.87 1ngs h LEU 302 Cb 0.00 0.42 -0.01 0.00 -0.73 0.00 0.00 40.66 40.35 1ngs h LEU 302 CO 0.00 -0.54 0.05 0.11 -0.62 0.00 0.00 178.44 177.44 1ngs h LYS 303 N -0.78 0.16 -0.51 1.25 1.57 -1.20 -0.40 116.57 116.66 1ngs h LYS 303 Ca -0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1ngs h LYS 303 Cb 0.73 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1ngs h LYS 303 CO -0.14 0.25 0.28 -1.35 -0.57 0.00 0.00 179.45 177.92 1ngs h PRO 304 N 0.04 0.53 -0.34 3.15 0.11 -1.72 -1.82 132.00 131.95 1ngs h PRO 304 Ca 0.04 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.14 1ngs h PRO 304 Cb 0.14 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1ngs h PRO 304 CO -0.00 0.35 0.17 0.78 -0.21 0.00 0.00 178.00 179.09 1ngs h GLY 305 N 0.55 0.46 0.76 -0.55 0.00 -0.84 0.22 103.07 103.66 1ngs h GLY 305 Ca 0.21 -0.12 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1ngs h GLY 305 CO -0.13 0.10 0.41 -2.08 0.00 0.00 0.00 176.54 174.84 1ngs h VAL 306 N 0.36 1.02 -0.69 4.60 2.07 -0.87 0.07 116.25 122.80 1ngs h VAL 306 Ca 0.14 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 1ngs h VAL 306 Cb 0.05 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1ngs h VAL 306 CO -0.10 0.14 0.22 -0.08 0.02 0.00 0.00 177.57 177.78 1ngs h GLU 307 N 0.77 1.07 -0.72 1.57 4.81 -0.52 -1.26 114.58 120.30 1ngs h GLU 307 Ca 0.30 -0.23 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1ngs h GLU 307 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1ngs h GLU 307 CO -0.15 0.92 0.26 0.00 -0.73 0.00 0.00 179.01 179.31 1ngs h ALA 308 N 1.10 0.93 -0.08 2.92 0.00 0.16 -1.47 119.26 122.82 1ngs h ALA 308 Ca 0.22 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1ngs h ALA 308 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1ngs h ALA 308 CO -0.01 0.58 -0.27 -0.97 0.00 0.00 0.00 179.25 178.59 1ngs h ASN 309 N 1.04 0.14 -0.04 0.00 -0.73 -0.65 -1.23 115.58 114.10 1ngs h ASN 309 Ca 0.23 -0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 1ngs h ASN 309 Cb 0.26 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 38.81 1ngs h ASN 309 CO -0.01 0.42 -0.08 -1.13 -0.37 0.00 0.00 177.43 176.25 1ngs h ASN 310 N 0.13 0.15 -0.27 1.15 -1.24 -0.51 -2.41 115.58 112.59 1ngs h ASN 310 Ca 0.02 -0.55 0.02 0.00 0.71 0.00 0.00 56.30 56.50 1ngs h ASN 310 Cb 0.55 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.54 1ngs h ASN 310 CO 0.04 0.67 0.13 0.11 -1.29 0.00 0.00 177.43 177.09 1ngs h LYS 311 N -0.37 0.27 -0.63 6.67 6.56 -1.12 -2.53 116.57 125.42 1ngs h LYS 311 Ca 0.00 -0.02 0.12 0.00 -1.06 0.00 0.00 60.65 59.70 1ngs h LYS 311 Cb 0.64 -0.06 -0.09 0.00 -0.57 0.00 0.00 32.23 32.15 1ngs h LYS 311 CO 0.02 0.18 0.12 2.35 -2.06 0.00 0.00 179.45 180.06 1ngs h TRP 312 N 0.28 0.18 -0.31 -1.35 7.01 -1.23 -0.66 115.95 119.88 1ngs h TRP 312 Ca 0.11 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.12 1ngs h TRP 312 Cb 0.03 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.09 1ngs h TRP 312 CO -0.09 -0.06 0.06 -0.91 -2.79 0.00 0.00 178.44 174.64 1ngs h ASN 313 N 0.24 0.41 -0.07 2.65 4.21 -1.07 -0.70 115.58 121.24 1ngs h ASN 313 Ca 0.34 -0.05 -0.03 0.00 1.21 0.00 0.00 56.30 57.76 1ngs h ASN 313 Cb 0.52 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1ngs h ASN 313 CO -0.44 0.43 -0.07 0.50 -1.29 0.00 0.00 177.43 176.56 1ngs h LYS 314 N 0.44 0.17 -0.54 0.81 3.11 -0.76 -2.04 116.57 117.77 1ngs h LYS 314 Ca 0.10 -0.09 0.09 0.00 -2.81 0.00 0.00 60.65 57.95 1ngs h LYS 314 Cb 0.20 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 31.36 1ngs h LYS 314 CO -0.00 0.60 0.13 1.25 -2.81 0.00 0.00 179.45 178.62 1ngs h LEU 315 N -0.25 0.05 -0.42 5.20 5.85 -1.09 -0.70 115.31 123.95 1ngs h LEU 315 Ca 0.01 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ngs h LEU 315 Cb 0.57 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 1ngs h LEU 315 CO 0.02 0.05 0.23 0.15 -0.34 0.00 0.00 178.44 178.54 1ngs h PHE 316 N 0.28 0.57 -0.47 1.25 3.57 -1.09 -0.69 116.94 120.35 1ngs h PHE 316 Ca 0.27 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 1ngs h PHE 316 Cb 0.36 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1ngs h PHE 316 CO -0.22 0.44 0.17 0.66 -2.23 0.00 0.00 178.31 177.13 1ngs h SER 317 N 0.54 0.62 -0.70 0.41 4.64 -0.53 -1.13 113.55 117.41 1ngs h SER 317 Ca 0.15 -0.08 -0.07 0.00 -0.47 0.00 0.00 61.79 61.32 1ngs h SER 317 Cb 0.05 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1ngs h SER 317 CO -0.02 0.58 0.17 -0.33 -0.87 0.00 0.00 176.83 176.35 1ngs h GLU 318 N 0.68 1.13 -0.29 4.77 4.39 -0.74 -3.01 114.58 121.52 1ngs h GLU 318 Ca 0.16 -0.27 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1ngs h GLU 318 Cb 0.17 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 1ngs h GLU 318 CO -0.01 1.00 0.09 -0.92 -1.16 0.00 0.00 179.01 178.01 1ngs h TYR 319 N 1.07 0.16 0.00 4.33 3.20 0.06 -0.79 116.97 125.00 1ngs h TYR 319 Ca 0.22 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1ngs h TYR 319 Cb 0.38 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1ngs h TYR 319 CO 0.03 0.07 0.00 1.04 -1.64 0.00 0.00 178.16 177.66 1ngs n GLN 320 N -5.04 0.16 -0.08 1.82 6.02 -0.68 0.20 117.38 119.77 1ngs n GLN 320 Ca -0.01 0.50 -0.16 0.00 -0.01 0.00 0.00 57.00 57.32 1ngs n GLN 320 Cb 0.11 -1.87 -0.12 0.00 1.02 0.00 0.00 30.24 29.38 1ngs n GLN 320 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1ngs h LYS 321 N 0.00 0.00 -0.50 -1.09 1.57 -1.07 -3.32 116.57 112.16 1ngs h LYS 321 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1ngs h LYS 321 Cb 0.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1ngs h LYS 321 CO 0.00 0.93 -0.14 0.87 -0.57 0.00 0.00 179.45 180.53 1ngs h LYS 322 N -1.00 0.97 -2.84 3.15 1.79 -0.66 -3.38 116.57 114.61 1ngs h LYS 322 Ca -0.12 -0.37 -0.60 0.00 -2.18 0.00 0.00 60.65 57.37 1ngs h LYS 322 Cb 1.05 -0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 31.24 1ngs h LYS 322 CO -0.07 1.04 -0.77 -0.06 -1.08 0.00 0.00 179.45 178.51 1ngs s PHE 323 N -4.78 1.85 0.14 -1.35 0.40 0.13 -5.02 117.98 109.36 1ngs s PHE 323 Ca -0.11 -2.41 -0.18 0.00 -0.60 0.00 0.00 56.93 53.63 1ngs s PHE 323 Cb 0.13 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.97 1ngs s PHE 323 CO 0.86 -0.77 1.76 -1.35 0.70 0.00 0.00 175.22 176.42 1ngs h PRO 324 N 6.43 0.24 0.93 0.24 0.11 -1.75 -0.66 132.00 137.54 1ngs h PRO 324 Ca 0.06 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.12 1ngs h PRO 324 Cb 0.91 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.97 1ngs h PRO 324 CO 0.46 0.16 -0.48 0.93 -0.21 0.00 0.00 178.00 178.86 1ngs h GLU 325 N 0.25 -1.25 -0.76 1.05 3.07 -1.95 -0.78 114.58 114.21 1ngs h GLU 325 Ca 0.12 0.09 0.03 0.00 -0.50 0.00 0.00 59.36 59.10 1ngs h GLU 325 Cb 0.07 0.28 -0.05 0.00 -0.84 0.00 0.00 28.75 28.22 1ngs h GLU 325 CO -0.11 -0.83 0.48 -0.07 -1.40 0.00 0.00 179.01 177.08 1ngs h LEU 326 N -1.30 0.80 -0.55 1.33 4.07 -1.97 -2.17 115.31 115.53 1ngs h LEU 326 Ca -0.13 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 1ngs h LEU 326 Cb 1.01 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.55 1ngs h LEU 326 CO 0.19 0.55 0.25 1.23 -1.08 0.00 0.00 178.44 179.57 1ngs h GLY 327 N 0.94 0.87 1.28 0.83 0.00 -1.07 0.12 103.07 106.04 1ngs h GLY 327 Ca 0.31 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.15 1ngs h GLY 327 CO -0.11 0.42 0.24 0.00 0.00 0.00 0.00 176.54 177.10 1ngs h ALA 328 N 1.09 1.25 0.05 3.60 0.00 -0.84 0.14 119.26 124.54 1ngs h ALA 328 Ca 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ngs h ALA 328 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ngs h ALA 328 CO -0.02 0.55 -0.02 1.49 0.00 0.00 0.00 179.25 181.25 1ngs h GLU 329 N 0.91 -0.06 -0.81 0.00 4.81 -1.15 -0.35 114.58 117.93 1ngs h GLU 329 Ca 0.21 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1ngs h GLU 329 Cb 0.19 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ngs h GLU 329 CO -0.02 0.34 0.53 1.25 -0.73 0.00 0.00 179.01 180.37 1ngs h LEU 330 N -0.48 0.94 -0.89 1.64 5.85 -0.76 0.10 115.31 121.71 1ngs h LEU 330 Ca -0.01 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1ngs h LEU 330 Cb 0.43 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1ngs h LEU 330 CO 0.01 0.69 0.58 0.00 -0.34 0.00 0.00 178.44 179.39 1ngs h ALA 331 N 1.29 1.15 -0.15 1.25 0.00 -0.61 0.16 119.26 122.35 1ngs h ALA 331 Ca 0.30 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ngs h ALA 331 Cb -0.11 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.34 1ngs h ALA 331 CO -0.06 0.49 -0.06 -0.09 0.00 0.00 0.00 179.25 179.53 1ngs h ARG 332 N 1.17 0.31 -0.54 0.00 2.43 -0.11 0.01 114.38 117.64 1ngs h ARG 332 Ca 0.34 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1ngs h ARG 332 Cb -0.08 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 1ngs h ARG 332 CO -0.09 0.61 0.30 0.00 -1.51 0.00 0.00 179.97 179.28 1ngs h ARG 333 N -0.01 0.74 -0.64 0.20 3.08 -0.58 -0.90 114.38 116.27 1ngs h ARG 333 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ngs h ARG 333 Cb 0.51 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1ngs h ARG 333 CO 0.02 0.57 0.40 -0.07 -1.07 0.00 0.00 179.97 179.82 1ngs h LEU 334 N 0.72 0.75 -0.02 3.04 3.38 -0.59 0.22 115.31 122.81 1ngs h LEU 334 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1ngs h LEU 334 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1ngs h LEU 334 CO -0.03 0.56 0.00 -1.54 0.09 0.00 0.00 178.44 177.52 1ngs n SER 335 N -4.42 0.07 -0.42 -0.43 3.41 -0.02 -4.88 113.62 106.93 1ngs n SER 335 Ca 0.06 0.51 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 1ngs n SER 335 Cb 0.06 -0.53 -0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1ngs n SER 335 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngs n GLY 336 N 0.95 0.25 3.68 5.00 0.00 0.79 -5.05 105.19 110.80 1ngs n GLY 336 Ca 0.06 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 1ngs n GLY 336 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ngs s GLN 337 N -4.05 2.51 0.32 1.61 1.11 -0.85 -5.03 119.66 115.27 1ngs s GLN 337 Ca 0.00 -0.85 -0.10 0.00 0.01 0.00 0.00 55.36 54.42 1ngs s GLN 337 Cb 0.00 -2.52 -0.07 0.00 -1.01 0.00 0.00 33.01 29.41 1ngs s GLN 337 CO 0.00 0.54 0.65 -0.51 0.01 0.00 0.00 175.29 175.98 1ngs s LEU 338 N -2.30 4.01 0.46 2.90 1.02 -1.26 -4.42 118.68 119.09 1ngs s LEU 338 Ca 0.25 1.00 -0.23 0.00 0.02 0.00 0.00 54.13 55.17 1ngs s LEU 338 Cb -0.12 -3.82 -0.10 0.00 0.02 0.00 0.00 46.19 42.18 1ngs s LEU 338 CO 0.18 -0.23 0.97 -2.65 0.02 0.00 0.00 176.35 174.63 1ngs n PRO 339 N -0.75 1.22 -1.81 1.29 -0.02 -1.26 -4.83 135.00 128.83 1ngs n PRO 339 Ca 0.01 0.44 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1ngs n PRO 339 Cb 0.53 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1ngs n PRO 339 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ngs s ALA 340 N -1.34 3.78 -1.49 3.55 0.00 -1.26 -2.71 121.76 122.29 1ngs s ALA 340 Ca 0.65 1.40 -0.12 0.00 0.00 0.00 0.00 51.96 53.89 1ngs s ALA 340 Cb -0.53 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 18.95 1ngs s ALA 340 CO 0.55 -1.06 1.02 0.09 0.00 0.00 0.00 175.76 176.36 1ngs n ASN 341 N 5.06 -5.26 0.11 0.00 3.02 -1.26 -4.86 115.26 112.07 1ngs n ASN 341 Ca 0.16 -0.69 0.01 0.00 -0.03 0.00 0.00 54.58 54.03 1ngs n ASN 341 Cb 0.38 -4.18 0.32 0.00 -0.61 0.00 0.00 39.78 35.69 1ngs n ASN 341 CO 0.00 0.00 0.00 4.11 -2.62 0.00 0.00 177.26 178.75 1ngs h TRP 342 N -2.20 0.26 0.00 3.10 5.08 -1.88 -2.62 115.95 117.69 1ngs h TRP 342 Ca -0.57 -0.04 0.00 0.00 1.08 0.00 0.00 58.89 59.35 1ngs h TRP 342 Cb 1.37 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.47 1ngs h TRP 342 CO 0.55 0.47 0.04 -0.85 -1.28 0.00 0.00 178.44 177.37 1ngs n GLU 343 N -4.17 0.00 0.19 0.12 0.00 -1.26 -0.99 120.64 114.53 1ngs n GLU 343 Ca -0.01 0.38 0.05 0.00 0.00 0.00 0.00 57.16 57.58 1ngs n GLU 343 Cb 0.35 -1.54 0.38 0.00 0.00 0.00 0.00 31.44 30.63 1ngs n GLU 343 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1ngs h SER 344 N 0.00 0.00 1.14 -1.84 4.64 -1.85 -2.93 113.55 112.70 1ngs h SER 344 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngs h SER 344 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1ngs h SER 344 CO 0.00 0.37 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 1ngs n LYS 345 N -3.73 0.15 -2.05 4.77 5.02 -0.16 -4.84 118.16 117.31 1ngs n LYS 345 Ca -0.01 0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 56.05 1ngs n LYS 345 Cb 0.45 -1.70 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 1ngs n LYS 345 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ngs s LEU 346 N -3.94 4.37 0.43 -0.35 1.43 -1.11 -4.79 118.68 114.71 1ngs s LEU 346 Ca 0.10 2.45 -0.24 0.00 -1.03 0.00 0.00 54.13 55.41 1ngs s LEU 346 Cb 0.14 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 1ngs s LEU 346 CO 0.52 -0.75 1.16 -2.16 0.23 0.00 0.00 176.35 175.35 1ngs s PRO 347 N 1.32 3.93 0.13 1.29 0.05 -1.26 -5.06 135.00 135.40 1ngs s PRO 347 Ca 0.68 1.80 0.09 0.00 0.05 0.00 0.00 61.00 63.62 1ngs s PRO 347 Cb -0.40 -2.55 -0.04 0.00 0.05 0.00 0.00 34.50 31.56 1ngs s PRO 347 CO 0.31 -0.41 -0.22 0.95 0.05 0.00 0.00 177.00 177.67 1ngs s THR 348 N -1.48 1.95 0.28 1.26 -4.23 -1.26 -4.75 115.64 107.41 1ngs s THR 348 Ca 0.60 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 59.41 1ngs s THR 348 Cb -0.29 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1ngs s THR 348 CO 0.36 -0.07 0.12 -0.31 -0.54 0.00 0.00 174.62 174.19 1ngs s TYR 349 N -1.35 1.55 0.12 3.99 1.51 -1.26 -5.01 117.35 116.90 1ngs s TYR 349 Ca 0.12 -1.27 0.01 0.00 -1.01 0.00 0.00 57.07 54.92 1ngs s TYR 349 Cb -0.09 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.84 1ngs s TYR 349 CO 0.06 -0.42 -0.01 0.95 -1.11 0.00 0.00 175.55 175.01 1ngs s THR 350 N -3.70 0.48 0.17 -0.71 -4.23 -1.26 -4.92 115.64 101.46 1ngs s THR 350 Ca 0.37 -1.92 0.25 0.00 -1.18 0.00 0.00 61.69 59.21 1ngs s THR 350 Cb 0.07 -1.85 0.25 0.00 1.34 0.00 0.00 72.50 72.30 1ngs s THR 350 CO 0.15 -0.70 1.74 0.00 -0.54 0.00 0.00 174.62 175.27 1ngs h ALA 351 N 2.90 1.11 0.00 3.99 0.00 -1.79 -1.07 119.26 124.41 1ngs h ALA 351 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ngs h ALA 351 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ngs h ALA 351 CO 0.63 -0.11 -0.01 0.36 0.00 0.00 0.00 179.25 180.13 1ngs n LYS 352 N -2.46 0.01 -1.71 0.00 2.85 -1.26 -4.77 118.16 110.81 1ngs n LYS 352 Ca -0.02 0.01 -0.31 0.00 -1.05 0.00 0.00 58.31 56.94 1ngs n LYS 352 Cb 0.18 -1.51 0.03 0.00 -0.65 0.00 0.00 35.03 33.08 1ngs n LYS 352 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ngs s ASP 353 N -3.05 5.79 0.70 -5.58 1.01 -0.41 -5.04 116.67 110.09 1ngs s ASP 353 Ca 0.14 1.52 -0.14 0.00 0.71 0.00 0.00 52.55 54.79 1ngs s ASP 353 Cb 0.19 -2.48 0.02 0.00 1.01 0.00 0.00 42.92 41.65 1ngs s ASP 353 CO 0.53 -1.17 1.10 -0.94 0.21 0.00 0.00 175.17 174.91 1ngs s SER 354 N -3.98 4.91 0.01 0.27 1.04 -1.26 -4.54 113.70 110.16 1ngs s SER 354 Ca 0.57 1.94 -0.30 0.00 0.48 0.00 0.00 55.95 58.64 1ngs s SER 354 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.41 1ngs s SER 354 CO 0.55 -1.76 1.17 0.00 0.98 0.00 0.00 173.24 174.17 1ngs s ALA 355 N -2.52 3.40 0.05 5.32 0.00 -1.26 -4.51 121.76 122.24 1ngs s ALA 355 Ca 0.65 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.36 1ngs s ALA 355 Cb -0.19 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 1ngs s ALA 355 CO 0.46 -0.52 -0.07 0.08 0.00 0.00 0.00 175.76 175.71 1ngs s VAL 356 N 1.46 0.52 0.24 0.00 1.01 -0.24 -4.75 120.40 118.64 1ngs s VAL 356 Ca 0.57 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1ngs s VAL 356 Cb -0.27 -0.82 -0.09 0.00 0.00 0.00 0.00 36.38 35.20 1ngs s VAL 356 CO 0.27 -0.51 1.22 0.00 0.00 0.00 0.00 175.10 176.07 1ngs s ALA 357 N -1.93 3.46 -0.51 5.51 0.00 -1.25 -2.13 121.76 124.91 1ngs s ALA 357 Ca -0.06 1.03 0.15 0.00 0.00 0.00 0.00 51.96 53.09 1ngs s ALA 357 Cb -0.06 -3.42 0.79 0.00 0.00 0.00 0.00 23.12 20.43 1ngs s ALA 357 CO -0.01 -0.40 1.47 0.25 0.00 0.00 0.00 175.76 177.07 1ngs n THR 358 N 1.85 1.27 -0.02 0.00 -2.24 -1.26 -0.47 114.28 113.41 1ngs n THR 358 Ca 0.02 0.57 -0.07 0.00 -2.27 0.00 0.00 64.05 62.30 1ngs n THR 358 Cb 0.44 -1.54 0.11 0.00 -2.10 0.00 0.00 70.33 67.23 1ngs n THR 358 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ngs h ARG 359 N 0.00 0.59 0.01 -0.78 2.43 -1.85 -1.73 114.38 113.05 1ngs h ARG 359 Ca 0.00 -0.28 -0.25 0.00 -0.81 0.00 0.00 59.98 58.63 1ngs h ARG 359 Cb 0.07 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.58 1ngs h ARG 359 CO 0.00 0.87 -1.35 -0.22 -1.51 0.00 0.00 179.97 177.76 1ngs h LYS 360 N 0.49 0.03 -0.30 0.20 1.63 -1.07 -3.07 116.57 114.49 1ngs h LYS 360 Ca 0.05 -0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 1ngs h LYS 360 Cb 0.86 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.50 1ngs h LYS 360 CO 0.07 0.81 -0.09 -0.07 -3.45 0.00 0.00 179.45 176.72 1ngs h LEU 361 N 0.01 0.47 -0.07 5.20 3.38 -1.27 -2.15 115.31 120.89 1ngs h LEU 361 Ca -0.15 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1ngs h LEU 361 Cb 1.90 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1ngs h LEU 361 CO 0.11 0.61 0.03 -1.28 0.09 0.00 0.00 178.44 178.00 1ngs h SER 362 N 0.46 0.09 -0.71 -0.43 0.87 -1.32 -2.26 113.55 110.25 1ngs h SER 362 Ca 0.09 -0.16 0.11 0.00 -1.23 0.00 0.00 61.79 60.60 1ngs h SER 362 Cb 0.44 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.30 1ngs h SER 362 CO 0.02 0.22 0.33 -0.08 -0.53 0.00 0.00 176.83 176.80 1ngs h GLU 363 N -0.05 0.53 -0.87 2.24 4.81 -1.36 -0.20 114.58 119.68 1ngs h GLU 363 Ca 0.02 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.27 1ngs h GLU 363 Cb 0.16 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 1ngs h GLU 363 CO -0.00 0.35 0.55 1.15 -0.73 0.00 0.00 179.01 180.33 1ngs h THR 364 N 0.54 1.10 -0.20 0.32 2.02 -1.14 -0.79 112.91 114.76 1ngs h THR 364 Ca 0.36 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 1ngs h THR 364 Cb 0.44 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 1ngs h THR 364 CO -0.31 0.19 0.07 0.58 0.37 0.00 0.00 175.52 176.43 1ngs h VAL 365 N 1.04 1.17 -0.63 3.16 2.07 -0.48 -2.44 116.25 120.16 1ngs h VAL 365 Ca 0.36 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.43 1ngs h VAL 365 Cb 0.07 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 30.93 1ngs h VAL 365 CO -0.14 0.17 0.29 -0.07 0.02 0.00 0.00 177.57 177.84 1ngs h LEU 366 N 0.17 0.37 -1.68 2.57 3.38 -0.55 0.78 115.31 120.34 1ngs h LEU 366 Ca 0.07 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1ngs h LEU 366 Cb 0.20 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1ngs h LEU 366 CO -0.00 0.23 0.24 -0.08 0.09 0.00 0.00 178.44 178.91 1ngs h GLU 367 N 0.52 0.41 0.03 1.13 4.57 -1.07 -2.01 114.58 118.15 1ngs h GLU 367 Ca 0.30 -0.02 -0.24 0.00 -1.18 0.00 0.00 59.36 58.21 1ngs h GLU 367 Cb 0.30 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.77 1ngs h GLU 367 CO -0.25 0.27 -1.22 -0.44 -1.18 0.00 0.00 179.01 176.19 1ngs h ASP 368 N 0.42 0.09 -0.01 1.04 3.32 -0.40 -3.39 116.42 117.50 1ngs h ASP 368 Ca 0.14 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ngs h ASP 368 Cb 0.05 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ngs h ASP 368 CO -0.03 1.09 -0.23 1.33 -1.72 0.00 0.00 179.24 179.69 1ngs n VAL 369 N -3.33 0.00 -0.34 -1.35 0.24 -0.46 -4.59 118.33 108.51 1ngs n VAL 369 Ca -0.06 -0.39 0.04 0.00 -2.04 0.00 0.00 64.34 61.89 1ngs n VAL 369 Cb 0.98 1.18 0.21 0.00 -1.47 0.00 0.00 33.84 34.74 1ngs n VAL 369 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1ngs h TYR 370 N 1.71 1.13 0.00 6.34 3.20 -1.55 -0.55 116.97 127.25 1ngs h TYR 370 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ngs h TYR 370 Cb 0.48 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1ngs h TYR 370 CO 0.00 0.57 -0.35 -1.71 -1.64 0.00 0.00 178.16 175.03 1ngs n ASN 371 N -4.51 0.43 0.05 -2.11 4.05 -1.26 -3.61 115.26 108.30 1ngs n ASN 371 Ca 0.15 0.09 -0.12 0.00 0.45 0.00 0.00 54.58 55.15 1ngs n ASN 371 Cb 0.21 -0.05 -0.13 0.00 1.23 0.00 0.00 39.78 41.04 1ngs n ASN 371 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 177.26 173.60 1ngs h GLN 372 N 0.00 0.13 -3.38 1.20 5.75 -1.44 -3.42 115.11 113.96 1ngs h GLN 372 Ca 0.00 -0.23 -0.67 0.00 -0.15 0.00 0.00 58.65 57.60 1ngs h GLN 372 Cb 0.57 0.08 -0.38 0.00 1.07 0.00 0.00 27.48 28.83 1ngs h GLN 372 CO 0.00 0.98 -0.40 -0.51 -2.65 0.00 0.00 178.83 176.25 1ngs s LEU 373 N -6.76 5.04 0.65 -2.39 1.43 -0.35 -4.79 118.68 111.51 1ngs s LEU 373 Ca -0.05 -3.29 0.41 0.00 -1.03 0.00 0.00 54.13 50.17 1ngs s LEU 373 Cb 0.08 -1.78 2.27 0.00 0.03 0.00 0.00 46.19 46.79 1ngs s LEU 373 CO 0.84 -0.24 2.34 1.55 0.23 0.00 0.00 176.35 181.07 1ngs h PRO 374 N 6.36 0.00 -0.00 1.29 0.13 -1.82 -1.15 132.00 136.82 1ngs h PRO 374 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 1ngs h PRO 374 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1ngs h PRO 374 CO 0.74 0.00 -0.03 -0.85 -0.23 0.00 0.00 178.00 177.63 1ngs n GLU 375 N -3.30 0.64 -2.76 0.86 0.00 -1.26 -4.79 120.64 110.03 1ngs n GLU 375 Ca -0.03 -0.07 -0.42 0.00 0.00 0.00 0.00 57.16 56.63 1ngs n GLU 375 Cb 0.07 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 29.99 1ngs n GLU 375 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1ngs s LEU 376 N -2.41 4.16 -0.17 -1.84 2.96 -0.44 -0.76 118.68 120.19 1ngs s LEU 376 Ca 0.33 1.32 -0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1ngs s LEU 376 Cb 0.21 -3.42 0.05 0.00 0.50 0.00 0.00 46.19 43.53 1ngs s LEU 376 CO 0.44 -0.51 0.00 -0.51 -1.32 0.00 0.00 176.35 174.46 1ngs s ILE 377 N 2.52 0.69 0.39 6.68 2.07 -1.19 -4.94 121.20 127.42 1ngs s ILE 377 Ca 0.43 -0.49 0.04 0.00 -1.41 0.00 0.00 60.65 59.22 1ngs s ILE 377 Cb -0.16 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.42 1ngs s ILE 377 CO 0.11 -0.04 0.36 0.61 -1.91 0.00 0.00 174.94 174.07 1ngs n GLY 378 N 5.01 2.60 0.00 1.50 0.00 -0.49 -2.63 105.19 111.18 1ngs n GLY 378 Ca -0.09 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1ngs n GLY 378 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ngs n GLY 379 N 0.27 -0.25 3.24 -0.02 0.00 -1.01 -0.12 105.19 107.29 1ngs n GLY 379 Ca 0.02 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1ngs n GLY 379 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ngs s SER 380 N 0.00 -0.18 -1.26 1.61 0.15 -1.07 -0.71 113.70 112.24 1ngs s SER 380 Ca 0.00 0.04 -0.10 0.00 0.70 0.00 0.00 55.95 56.60 1ngs s SER 380 Cb 0.00 0.32 0.17 0.00 -1.71 0.00 0.00 66.02 64.80 1ngs s SER 380 CO 0.00 -0.48 1.78 0.00 1.20 0.00 0.00 173.24 175.74 1ngs n ALA 381 N 1.16 5.09 -3.14 5.45 0.00 -0.75 -1.78 120.51 126.54 1ngs n ALA 381 Ca -0.21 -4.32 -0.23 0.00 0.00 0.00 0.00 53.44 48.68 1ngs n ALA 381 Cb 0.57 -2.97 0.04 0.00 0.00 0.00 0.00 19.45 17.09 1ngs n ALA 381 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1ngs n ASP 382 N 4.08 -6.22 -0.89 0.00 2.03 -1.16 -4.47 116.55 109.92 1ngs n ASP 382 Ca 0.39 -0.34 0.01 0.00 0.52 0.00 0.00 54.79 55.37 1ngs n ASP 382 Cb 0.37 -5.00 0.01 0.00 -0.72 0.00 0.00 41.12 35.78 1ngs n ASP 382 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ngs n LEU 383 N -4.24 0.35 -0.34 -2.67 4.77 -1.26 -4.94 117.00 108.67 1ngs n LEU 383 Ca -0.09 -1.40 0.14 0.00 -0.03 0.00 0.00 56.01 54.63 1ngs n LEU 383 Cb 0.61 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.98 1ngs n LEU 383 CO 0.51 0.40 0.79 0.74 -1.33 0.00 0.00 177.39 178.50 1ngs h THR 384 N 6.88 0.01 0.00 -5.08 2.02 -1.90 0.19 112.91 115.04 1ngs h THR 384 Ca -0.10 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ngs h THR 384 Cb 1.58 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1ngs h THR 384 CO 0.03 0.00 0.00 1.55 0.37 0.00 0.00 175.52 177.47 1ngs h PRO 385 N 0.00 0.00 0.09 6.66 0.13 -1.97 -0.49 132.00 136.43 1ngs h PRO 385 Ca 0.59 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 65.37 1ngs h PRO 385 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1ngs h PRO 385 CO -0.94 0.00 -1.97 0.43 -0.23 0.00 0.00 178.00 175.29 1ngs n SER 386 N -2.57 2.07 0.17 1.44 7.64 0.40 -4.25 113.62 118.53 1ngs n SER 386 Ca 0.05 0.20 0.06 0.00 1.01 0.00 0.00 58.87 60.19 1ngs n SER 386 Cb 0.45 -0.83 0.13 0.00 -1.01 0.00 0.00 64.21 62.95 1ngs n SER 386 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1ngs h ASN 387 N -0.10 0.00 -4.78 6.43 -0.26 -0.92 -3.48 115.58 112.47 1ngs h ASN 387 Ca -0.44 0.00 -0.36 0.00 -0.56 0.00 0.00 56.30 54.94 1ngs h ASN 387 Cb 1.92 0.00 0.10 0.00 -1.06 0.00 0.00 38.32 39.27 1ngs h ASN 387 CO 0.02 0.32 -0.58 0.18 -1.06 0.00 0.00 177.43 176.31 1ngs n LEU 388 N -3.21 -2.98 -0.11 1.61 4.77 -0.21 -4.84 117.00 112.02 1ngs n LEU 388 Ca 0.02 -0.39 0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1ngs n LEU 388 Cb 0.63 -2.72 0.74 0.00 -2.33 0.00 0.00 43.42 39.74 1ngs n LEU 388 CO 0.38 0.44 0.98 0.35 -1.33 0.00 0.00 177.39 178.20 1ngs n THR 389 N -4.59 0.00 -3.91 -5.08 -2.24 -1.12 -4.34 114.28 93.00 1ngs n THR 389 Ca -0.03 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.34 1ngs n THR 389 Cb 0.57 -0.21 -0.09 0.00 -2.10 0.00 0.00 70.33 68.50 1ngs n THR 389 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1ngs s ARG 390 N -2.25 4.03 0.45 -0.78 1.81 -1.26 -4.69 118.95 116.25 1ngs s ARG 390 Ca 0.37 -0.31 -0.13 0.00 -1.72 0.00 0.00 55.73 53.93 1ngs s ARG 390 Cb 0.21 -3.29 -0.07 0.00 -0.45 0.00 0.00 34.95 31.35 1ngs s ARG 390 CO 0.41 0.25 0.87 1.67 -0.68 0.00 0.00 175.30 177.82 1ngs s TRP 391 N 0.45 3.46 0.26 -0.53 -2.14 -1.26 -4.97 118.94 114.20 1ngs s TRP 391 Ca 0.05 1.24 -0.02 0.00 2.66 0.00 0.00 56.10 60.03 1ngs s TRP 391 Cb -0.12 -2.60 0.32 0.00 -3.10 0.00 0.00 33.47 27.97 1ngs s TRP 391 CO -0.00 -0.22 1.75 0.87 -2.66 0.00 0.00 176.95 176.69 1ngs h LYS 392 N 1.15 0.80 -0.13 3.25 1.79 -1.97 -2.93 116.57 118.52 1ngs h LYS 392 Ca -0.47 -0.22 0.00 0.00 -2.18 0.00 0.00 60.65 57.78 1ngs h LYS 392 Cb 1.19 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.75 1ngs h LYS 392 CO 0.63 0.81 0.00 -1.91 -1.08 0.00 0.00 179.45 177.90 1ngs n GLU 393 N -4.21 1.28 -2.23 3.15 2.13 -1.26 -4.93 120.64 114.57 1ngs n GLU 393 Ca 0.02 -0.43 -0.38 0.00 0.66 0.00 0.00 57.16 57.03 1ngs n GLU 393 Cb 0.31 -1.10 -0.01 0.00 0.27 0.00 0.00 31.44 30.90 1ngs n GLU 393 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ngs s ALA 394 N -1.83 3.15 -0.09 4.31 0.00 -1.11 -5.04 121.76 121.14 1ngs s ALA 394 Ca 0.08 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.09 1ngs s ALA 394 Cb 0.04 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1ngs s ALA 394 CO 0.05 -0.62 -0.16 -1.17 0.00 0.00 0.00 175.76 173.86 1ngs s LEU 395 N -2.56 2.59 0.47 0.00 2.96 -1.26 -5.04 118.68 115.84 1ngs s LEU 395 Ca 0.58 -0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 53.96 1ngs s LEU 395 Cb -0.32 -1.54 -0.08 0.00 0.50 0.00 0.00 46.19 44.74 1ngs s LEU 395 CO 0.40 0.24 1.06 -1.81 -1.32 0.00 0.00 176.35 174.92 1ngs s ASP 396 N -0.12 6.36 -0.50 3.68 1.01 -1.26 -1.36 116.67 124.48 1ngs s ASP 396 Ca -0.02 2.00 -0.26 0.00 0.71 0.00 0.00 52.55 54.98 1ngs s ASP 396 Cb -0.14 -2.57 0.03 0.00 1.01 0.00 0.00 42.92 41.25 1ngs s ASP 396 CO 0.04 -0.77 0.98 0.12 0.21 0.00 0.00 175.17 175.75 1ngs s PHE 397 N -1.86 2.84 0.22 4.23 5.36 0.18 -1.96 117.98 126.99 1ngs s PHE 397 Ca 0.66 0.32 -0.12 0.00 -0.96 0.00 0.00 56.93 56.82 1ngs s PHE 397 Cb -0.19 -4.11 -0.00 0.00 -0.34 0.00 0.00 43.02 38.38 1ngs s PHE 397 CO 0.23 -1.24 0.42 -0.65 -1.46 0.00 0.00 175.22 172.52 1ngs s GLN 398 N 4.02 1.42 0.46 10.12 -1.52 -1.09 -4.69 119.66 128.38 1ngs s GLN 398 Ca 0.37 -1.20 -0.22 0.00 -1.95 0.00 0.00 55.36 52.36 1ngs s GLN 398 Cb -0.10 0.45 -0.08 0.00 -0.22 0.00 0.00 33.01 33.06 1ngs s GLN 398 CO 0.25 -0.57 1.11 -2.14 -0.25 0.00 0.00 175.29 173.69 1ngs s PRO 399 N -3.99 3.79 0.47 2.91 0.02 -1.26 -1.26 135.00 135.67 1ngs s PRO 399 Ca 0.20 1.62 0.19 0.00 0.02 0.00 0.00 61.00 63.02 1ngs s PRO 399 Cb 0.01 -2.31 1.19 0.00 0.02 0.00 0.00 34.50 33.40 1ngs s PRO 399 CO 0.05 -0.49 1.98 -1.00 -0.33 0.00 0.00 177.00 177.22 1ngs h PRO 400 N 1.92 0.23 0.00 5.54 0.13 -1.92 -1.49 132.00 136.41 1ngs h PRO 400 Ca -0.49 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1ngs h PRO 400 Cb 1.24 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ngs h PRO 400 CO 0.60 0.15 0.00 -1.13 -0.23 0.00 0.00 178.00 177.39 1ngs n SER 401 N -4.44 0.00 0.08 1.44 3.41 -1.26 -3.03 113.62 109.82 1ngs n SER 401 Ca 0.10 0.34 -0.10 0.00 -0.26 0.00 0.00 58.87 58.96 1ngs n SER 401 Cb 0.47 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1ngs n SER 401 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ngs h SER 402 N 0.00 0.31 0.00 4.04 4.64 -1.54 -3.47 113.55 117.52 1ngs h SER 402 Ca 0.00 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1ngs h SER 402 Cb 0.16 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ngs h SER 402 CO 0.00 1.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.62 1ngs n GLY 403 N 0.90 2.23 0.00 -0.77 0.00 -1.17 -4.80 105.19 101.57 1ngs n GLY 403 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1ngs n GLY 403 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ngs n SER 404 N 0.00 0.83 0.00 1.61 7.64 -1.26 -5.05 113.62 117.39 1ngs n SER 404 Ca 0.00 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.13 1ngs n SER 404 Cb 0.00 0.87 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 1ngs n SER 404 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ngs n GLY 405 N 1.48 -0.56 3.82 0.23 0.00 -1.26 -4.25 105.19 104.65 1ngs n GLY 405 Ca 0.04 -0.77 -0.06 0.00 0.00 0.00 0.00 46.02 45.23 1ngs n GLY 405 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngs s ASN 406 N -4.00 -0.14 0.41 1.61 2.20 -0.83 -4.20 114.94 109.99 1ngs s ASN 406 Ca 0.00 -0.68 0.26 0.00 -0.94 0.00 0.00 52.86 51.50 1ngs s ASN 406 Cb 0.00 0.65 1.41 0.00 -2.00 0.00 0.00 41.25 41.31 1ngs s ASN 406 CO 0.00 -1.24 1.78 1.88 -2.94 0.00 0.00 177.10 176.59 1ngs h TYR 407 N 2.00 0.00 0.00 1.54 0.05 -1.45 -0.09 116.97 119.02 1ngs h TYR 407 Ca -0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.53 1ngs h TYR 407 Cb 1.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.98 1ngs h TYR 407 CO 0.76 0.00 -0.12 -1.13 -1.05 0.00 0.00 178.16 176.62 1ngs n SER 408 N -2.43 0.32 -4.70 3.88 3.41 -1.26 -3.88 113.62 108.95 1ngs n SER 408 Ca -0.02 0.38 -0.37 0.00 -0.26 0.00 0.00 58.87 58.61 1ngs n SER 408 Cb 0.09 -0.41 0.08 0.00 -0.26 0.00 0.00 64.21 63.70 1ngs n SER 408 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngs n GLY 409 N 1.44 0.30 0.12 5.00 0.00 -0.07 -4.96 105.19 107.03 1ngs n GLY 409 Ca 0.06 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.96 1ngs n GLY 409 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngs n ARG 410 N -1.99 1.59 -4.14 1.61 1.74 -0.46 -4.24 116.66 110.77 1ngs n ARG 410 Ca 0.15 -2.47 -0.27 0.00 -0.77 0.00 0.00 57.85 54.49 1ngs n ARG 410 Cb 0.48 -1.46 -0.17 0.00 -1.02 0.00 0.00 32.46 30.30 1ngs n ARG 410 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1ngs s TYR 411 N -2.64 1.66 -0.14 -1.55 5.04 -1.17 -1.40 117.35 117.14 1ngs s TYR 411 Ca 0.29 -0.80 -0.05 0.00 -2.44 0.00 0.00 57.07 54.06 1ngs s TYR 411 Cb 0.25 -1.29 -0.04 0.00 0.35 0.00 0.00 41.96 41.24 1ngs s TYR 411 CO 0.03 -0.49 0.03 0.42 -1.34 0.00 0.00 175.55 174.20 1ngs s ILE 412 N 1.35 4.52 -0.69 3.14 1.01 0.83 -0.64 121.20 130.72 1ngs s ILE 412 Ca -0.01 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 1ngs s ILE 412 Cb -0.14 -2.98 0.16 0.00 0.01 0.00 0.00 42.46 39.52 1ngs s ILE 412 CO -0.05 0.52 0.67 -0.13 0.00 0.00 0.00 174.94 175.95 1ngs s ARG 413 N -0.11 3.28 0.50 2.79 0.52 -1.26 -2.59 118.95 122.08 1ngs s ARG 413 Ca 0.05 -1.98 0.28 0.00 -0.52 0.00 0.00 55.73 53.57 1ngs s ARG 413 Cb -0.12 -4.38 1.14 0.00 0.52 0.00 0.00 34.95 32.11 1ngs s ARG 413 CO 0.02 -1.36 1.91 1.88 0.02 0.00 0.00 175.30 177.76 1ngs h TYR 414 N 8.46 0.00 0.00 -0.53 0.05 -1.74 -3.49 116.97 119.72 1ngs h TYR 414 Ca -0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1ngs h TYR 414 Cb 1.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.81 1ngs h TYR 414 CO 0.89 0.12 0.00 0.41 -1.05 0.00 0.00 178.16 178.53 1ngs n GLY 415 N 0.06 -2.26 3.46 3.88 0.00 -1.26 -4.22 105.19 104.86 1ngs n GLY 415 Ca 0.00 -1.52 -0.43 0.00 0.00 0.00 0.00 46.02 44.07 1ngs n GLY 415 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ngs n ILE 416 N -0.77 3.90 -3.03 -0.61 -0.00 -1.26 -3.00 119.36 114.60 1ngs n ILE 416 Ca 0.00 -4.00 -0.18 0.00 -0.00 0.00 0.00 62.75 58.57 1ngs n ILE 416 Cb 0.00 -2.39 -0.02 0.00 -0.00 0.00 0.00 39.64 37.23 1ngs n ILE 416 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 1ngs n ARG 417 N 7.96 0.77 -0.15 0.38 1.74 -1.26 -5.02 116.66 121.08 1ngs n ARG 417 Ca 0.49 -2.72 -0.07 0.00 -0.77 0.00 0.00 57.85 54.79 1ngs n ARG 417 Cb 0.45 -1.33 0.02 0.00 -1.02 0.00 0.00 32.46 30.59 1ngs n ARG 417 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1ngs h GLU 418 N 3.85 0.55 -0.33 5.56 3.07 -1.92 -1.30 114.58 124.06 1ngs h GLU 418 Ca -0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 1ngs h GLU 418 Cb 0.95 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1ngs h GLU 418 CO 0.41 0.37 0.11 1.25 -1.40 0.00 0.00 179.01 179.75 1ngs h HIS 419 N 0.57 0.52 -0.45 4.33 2.76 -1.90 -1.60 115.15 119.38 1ngs h HIS 419 Ca 0.18 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1ngs h HIS 419 Cb -0.00 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1ngs h HIS 419 CO -0.06 0.51 -0.02 0.00 -1.30 0.00 0.00 177.93 177.06 1ngs h ALA 420 N 0.95 1.13 -0.23 5.26 0.00 -1.80 -2.42 119.26 122.15 1ngs h ALA 420 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ngs h ALA 420 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1ngs h ALA 420 CO -0.01 0.56 0.10 1.98 0.00 0.00 0.00 179.25 181.88 1ngs h MET 421 N 0.70 0.22 -0.86 0.00 -1.53 -0.91 0.13 114.93 112.67 1ngs h MET 421 Ca 0.14 -0.01 0.10 0.00 -3.44 0.00 0.00 59.70 56.49 1ngs h MET 421 Cb 0.46 -0.05 -0.08 0.00 -0.55 0.00 0.00 31.60 31.38 1ngs h MET 421 CO 0.02 0.14 0.50 0.78 0.14 0.00 0.00 176.91 178.49 1ngs h GLY 422 N 0.22 1.36 1.61 1.39 0.00 -0.87 -0.06 103.07 106.72 1ngs h GLY 422 Ca 0.10 -0.33 -0.24 0.00 0.00 0.00 0.00 47.33 46.86 1ngs h GLY 422 CO -0.08 0.12 -1.02 0.00 0.00 0.00 0.00 176.54 175.56 1ngs h ALA 423 N 1.48 0.31 -0.48 3.60 0.00 -1.08 -2.71 119.26 120.37 1ngs h ALA 423 Ca 0.42 -0.76 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1ngs h ALA 423 Cb 0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ngs h ALA 423 CO -0.26 0.88 -0.11 0.82 0.00 0.00 0.00 179.25 180.58 1ngs h ILE 424 N 0.16 1.26 -0.46 0.00 2.04 -0.40 -1.89 117.51 118.22 1ngs h ILE 424 Ca -0.09 -1.22 -0.10 0.00 1.00 0.00 0.00 64.86 64.45 1ngs h ILE 424 Cb 1.68 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 1ngs h ILE 424 CO 0.17 0.42 -0.12 0.24 0.00 0.00 0.00 178.15 178.86 1ngs h MET 425 N 0.80 0.85 -0.58 2.37 2.86 -1.02 -0.95 114.93 119.26 1ngs h MET 425 Ca 0.13 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.41 1ngs h MET 425 Cb 0.63 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 1ngs h MET 425 CO 0.04 0.93 0.13 -0.91 1.06 0.00 0.00 176.91 178.17 1ngs h ASN 426 N 0.77 0.85 -0.45 1.22 2.35 -1.13 -0.93 115.58 118.25 1ngs h ASN 426 Ca 0.12 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.59 1ngs h ASN 426 Cb 0.63 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1ngs h ASN 426 CO 0.04 0.83 -0.19 1.23 -1.65 0.00 0.00 177.43 177.70 1ngs h GLY 427 N 1.01 1.01 1.01 2.83 0.00 -0.86 0.33 103.07 108.39 1ngs h GLY 427 Ca 0.19 -0.88 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 1ngs h GLY 427 CO 0.00 0.81 0.22 -2.22 0.00 0.00 0.00 176.54 175.34 1ngs h ILE 428 N 0.77 1.24 -0.19 2.60 2.04 -0.98 0.36 117.51 123.34 1ngs h ILE 428 Ca 0.11 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1ngs h ILE 428 Cb 0.75 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1ngs h ILE 428 CO 0.06 0.30 0.06 -1.28 0.00 0.00 0.00 178.15 177.30 1ngs h SER 429 N 0.88 0.28 0.01 1.72 0.87 -1.00 -2.76 113.55 113.54 1ngs h SER 429 Ca 0.20 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ngs h SER 429 Cb 0.25 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.14 1ngs h SER 429 CO -0.01 0.40 -0.00 0.00 -0.53 0.00 0.00 176.83 176.69 1ngs h ALA 430 N 0.89 1.36 -0.61 6.23 0.00 0.06 -3.08 119.26 124.09 1ngs h ALA 430 Ca 0.06 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1ngs h ALA 430 Cb 0.22 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1ngs h ALA 430 CO -0.00 0.00 0.30 0.35 0.00 0.00 0.00 179.25 179.91 1ngs h PHE 431 N 0.00 0.88 0.00 0.00 3.57 -0.62 -3.50 116.94 117.26 1ngs h PHE 431 Ca -0.00 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1ngs h PHE 431 Cb 0.01 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1ngs h PHE 431 CO 0.00 0.66 0.00 0.41 -2.23 0.00 0.00 178.31 177.15 1ngs n GLY 432 N -0.96 0.30 2.60 2.40 0.00 -1.17 -4.99 105.19 103.37 1ngs n GLY 432 Ca 0.04 -2.13 -0.14 0.00 0.00 0.00 0.00 46.02 43.79 1ngs n GLY 432 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngs n ALA 433 N -0.93 -0.84 -1.79 4.61 0.00 -1.26 -2.09 120.51 118.21 1ngs n ALA 433 Ca 0.00 0.10 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1ngs n ALA 433 Cb 0.00 -1.72 -0.05 0.00 0.00 0.00 0.00 19.45 17.68 1ngs n ALA 433 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1ngs n ASN 434 N -1.88 -4.51 -4.61 0.00 5.15 -1.21 -4.69 115.26 103.51 1ngs n ASN 434 Ca -0.12 0.30 -0.48 0.00 -0.60 0.00 0.00 54.58 53.68 1ngs n ASN 434 Cb 0.60 -3.98 -0.04 0.00 -0.53 0.00 0.00 39.78 35.82 1ngs n ASN 434 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 1ngs n TYR 435 N -2.61 1.59 -3.85 1.20 4.01 -0.89 -4.84 117.16 111.77 1ngs n TYR 435 Ca -0.17 0.59 -0.28 0.00 -0.16 0.00 0.00 57.90 57.88 1ngs n TYR 435 Cb 0.58 -2.35 -0.12 0.00 -0.31 0.00 0.00 39.34 37.14 1ngs n TYR 435 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ngs n LYS 436 N 2.07 1.72 -2.65 -0.72 4.76 0.06 -4.72 118.16 118.69 1ngs n LYS 436 Ca 0.15 -4.39 -0.33 0.00 -2.87 0.00 0.00 58.31 50.87 1ngs n LYS 436 Cb 0.25 -2.24 -0.05 0.00 -1.84 0.00 0.00 35.03 31.15 1ngs n LYS 436 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1ngs s PRO 437 N -1.38 4.08 -0.06 1.97 0.04 -1.26 -3.14 135.00 135.24 1ngs s PRO 437 Ca 0.26 1.10 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 1ngs s PRO 437 Cb -0.03 -2.15 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ngs s PRO 437 CO -0.17 -0.16 0.41 1.52 0.04 0.00 0.00 177.00 178.63 1ngs s TYR 438 N -2.30 -0.35 0.03 0.56 -0.85 -1.08 -2.14 117.35 111.22 1ngs s TYR 438 Ca 0.62 0.68 -0.02 0.00 -0.52 0.00 0.00 57.07 57.82 1ngs s TYR 438 Cb -0.10 0.17 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 1ngs s TYR 438 CO 0.20 -0.37 0.01 0.20 -1.52 0.00 0.00 175.55 174.06 1ngs s GLY 439 N -0.83 0.25 0.09 5.49 0.00 -0.61 -2.42 107.32 109.30 1ngs s GLY 439 Ca -0.09 -0.65 0.09 0.00 0.00 0.00 0.00 44.72 44.07 1ngs s GLY 439 CO 0.04 -0.74 -0.21 -0.32 0.00 0.00 0.00 173.10 171.86 1ngs s GLY 440 N -1.83 1.60 0.26 0.20 0.00 0.11 -1.14 107.32 106.52 1ngs s GLY 440 Ca -0.10 -1.32 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1ngs s GLY 440 CO -0.03 -1.26 0.90 -1.08 0.00 0.00 0.00 173.10 171.63 1ngs s THR 441 N -1.02 0.00 0.16 0.90 -1.32 -1.09 -1.81 115.64 111.47 1ngs s THR 441 Ca 0.15 -0.79 -0.30 0.00 -1.21 0.00 0.00 61.69 59.54 1ngs s THR 441 Cb -0.10 -2.63 -0.07 0.00 -1.51 0.00 0.00 72.50 68.19 1ngs s THR 441 CO 0.07 0.00 0.98 -0.36 -2.21 0.00 0.00 174.62 173.10 1ngs s PHE 442 N -2.61 3.83 0.37 9.09 0.08 -1.26 -1.72 117.98 125.76 1ngs s PHE 442 Ca 0.17 1.81 0.21 0.00 0.12 0.00 0.00 56.93 59.23 1ngs s PHE 442 Cb -0.04 -3.07 1.30 0.00 -0.57 0.00 0.00 43.02 40.65 1ngs s PHE 442 CO 0.07 0.15 1.60 1.25 -0.10 0.00 0.00 175.22 178.19 1ngs h LEU 443 N 5.03 0.35 -1.74 -0.37 5.85 -0.61 0.25 115.31 124.07 1ngs h LEU 443 Ca -0.44 0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1ngs h LEU 443 Cb 1.21 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1ngs h LEU 443 CO 0.71 -0.35 -0.12 -1.13 -0.34 0.00 0.00 178.44 177.21 1ngs h ASN 444 N 0.08 0.00 -0.15 1.25 -1.24 -1.82 -2.94 115.58 110.76 1ngs h ASN 444 Ca 0.82 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.83 1ngs h ASN 444 Cb 2.17 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.22 1ngs h ASN 444 CO -0.70 0.12 0.00 0.49 -1.29 0.00 0.00 177.43 176.05 1ngs n PHE 445 N -3.44 0.17 0.24 0.67 3.72 0.88 -3.78 117.46 115.92 1ngs n PHE 445 Ca -0.01 -0.08 0.11 0.00 -0.05 0.00 0.00 57.45 57.41 1ngs n PHE 445 Cb 0.28 0.00 0.58 0.00 -0.94 0.00 0.00 39.48 39.40 1ngs n PHE 445 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1ngs h VAL 446 N 4.54 0.60 -0.07 -4.37 2.07 -1.44 -2.05 116.25 115.52 1ngs h VAL 446 Ca 0.00 -0.87 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ngs h VAL 446 Cb 0.98 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1ngs h VAL 446 CO 0.00 0.19 0.04 0.28 0.02 0.00 0.00 177.57 178.09 1ngs h SER 447 N 0.00 0.09 0.28 0.57 0.02 -1.75 0.13 113.55 112.89 1ngs h SER 447 Ca -0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1ngs h SER 447 Cb 0.56 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.07 1ngs h SER 447 CO 0.02 0.07 -0.08 1.88 -1.14 0.00 0.00 176.83 177.59 1ngs h TYR 448 N 0.10 0.00 -0.58 3.45 -1.99 -1.62 -2.82 116.97 113.51 1ngs h TYR 448 Ca 0.03 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1ngs h TYR 448 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 1ngs h TYR 448 CO 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 178.16 178.24 1ngs n ALA 449 N -2.27 2.83 0.28 3.88 0.00 0.44 -4.39 120.51 121.28 1ngs n ALA 449 Ca -0.02 -1.56 0.18 0.00 0.00 0.00 0.00 53.44 52.04 1ngs n ALA 449 Cb 0.19 -0.88 0.92 0.00 0.00 0.00 0.00 19.45 19.69 1ngs n ALA 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngs h ALA 450 N 3.59 1.43 -0.36 0.00 0.00 -1.40 -0.55 119.26 121.97 1ngs h ALA 450 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1ngs h ALA 450 Cb 1.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ngs h ALA 450 CO 0.16 -0.26 -0.30 0.78 0.00 0.00 0.00 179.25 179.63 1ngs h GLY 451 N 0.00 0.92 1.19 0.00 0.00 -1.86 -2.72 103.07 100.60 1ngs h GLY 451 Ca 0.04 -0.91 -0.32 0.00 0.00 0.00 0.00 47.33 46.14 1ngs h GLY 451 CO -0.00 0.83 -1.39 0.00 0.00 0.00 0.00 176.54 175.98 1ngs h ALA 452 N 0.77 -0.14 -0.71 3.60 0.00 -1.45 -3.31 119.26 118.01 1ngs h ALA 452 Ca 0.07 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.19 1ngs h ALA 452 Cb 0.88 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 1ngs h ALA 452 CO 0.08 0.65 0.43 0.28 0.00 0.00 0.00 179.25 180.69 1ngs h VAL 453 N 0.10 1.05 -0.69 0.00 2.07 -1.35 -1.46 116.25 115.97 1ngs h VAL 453 Ca -0.24 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.05 1ngs h VAL 453 Cb 2.09 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1ngs h VAL 453 CO 0.26 0.15 0.45 -0.09 0.02 0.00 0.00 177.57 178.36 1ngs h ARG 454 N 0.81 0.74 0.00 1.57 2.43 -1.60 -0.56 114.38 117.77 1ngs h ARG 454 Ca 0.30 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1ngs h ARG 454 Cb 0.09 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1ngs h ARG 454 CO -0.14 0.49 -0.38 -0.07 -1.51 0.00 0.00 179.97 178.36 1ngs h LEU 455 N 0.76 0.00 -0.71 3.80 3.38 -1.38 -0.19 115.31 120.97 1ngs h LEU 455 Ca 0.29 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 1ngs h LEU 455 Cb 0.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ngs h LEU 455 CO -0.09 0.38 -0.11 0.28 0.09 0.00 0.00 178.44 178.99 1ngs h SER 456 N 0.00 0.87 -0.01 -0.43 0.02 -0.35 -1.71 113.55 111.93 1ngs h SER 456 Ca -0.00 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.64 1ngs h SER 456 Cb 1.04 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.35 1ngs h SER 456 CO 0.05 1.00 -0.13 0.00 -1.14 0.00 0.00 176.83 176.61 1ngs h ALA 457 N 1.08 0.03 -0.58 3.77 0.00 -1.25 0.69 119.26 123.01 1ngs h ALA 457 Ca 0.13 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1ngs h ALA 457 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1ngs h ALA 457 CO 0.04 -0.02 0.38 1.25 0.00 0.00 0.00 179.25 180.90 1ngs h LEU 458 N -0.55 0.65 0.00 0.00 5.85 -1.03 -3.09 115.31 117.15 1ngs h LEU 458 Ca -0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1ngs h LEU 458 Cb 0.83 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1ngs h LEU 458 CO 0.03 0.47 -1.04 0.28 -0.34 0.00 0.00 178.44 177.84 1ngs h SER 459 N 0.77 0.00 -1.09 1.25 0.02 -1.43 -3.49 113.55 109.59 1ngs h SER 459 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1ngs h SER 459 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1ngs h SER 459 CO -0.06 0.23 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 1ngs n GLY 460 N 1.25 0.79 3.59 -3.77 0.00 -0.26 -4.85 105.19 101.95 1ngs n GLY 460 Ca -0.03 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 1ngs n GLY 460 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ngs s HIS 461 N -2.75 3.18 -1.11 1.61 3.76 0.07 -4.25 115.29 115.80 1ngs s HIS 461 Ca 0.00 0.58 -0.08 0.00 -0.15 0.00 0.00 55.06 55.41 1ngs s HIS 461 Cb 0.00 -3.15 -0.10 0.00 1.11 0.00 0.00 32.58 30.44 1ngs s HIS 461 CO 0.00 -0.57 2.73 -0.35 -0.85 0.00 0.00 174.74 175.70 1ngs n PRO 462 N 6.08 2.84 -2.08 8.40 -0.04 -1.26 -3.28 135.00 145.65 1ngs n PRO 462 Ca 0.01 -1.72 -0.31 0.00 -0.04 0.00 0.00 63.50 61.43 1ngs n PRO 462 Cb 0.48 -2.53 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1ngs n PRO 462 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1ngs s VAL 463 N 2.40 4.66 -0.09 0.52 -7.23 -1.26 -4.77 120.40 114.63 1ngs s VAL 463 Ca 0.58 0.97 0.04 0.00 -1.81 0.00 0.00 61.98 61.75 1ngs s VAL 463 Cb 0.17 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.30 1ngs s VAL 463 CO -0.04 -0.98 -0.22 -0.63 -0.31 0.00 0.00 175.10 172.92 1ngs s ILE 464 N -2.97 1.86 -0.24 -0.62 1.01 -0.91 -0.68 121.20 118.65 1ngs s ILE 464 Ca 0.56 -0.91 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 1ngs s ILE 464 Cb -0.11 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1ngs s ILE 464 CO 0.46 0.52 0.03 0.26 0.00 0.00 0.00 174.94 176.20 1ngs s TRP 465 N 0.39 3.04 -0.91 3.97 0.52 0.21 -1.57 118.94 124.59 1ngs s TRP 465 Ca -0.18 -0.60 -0.14 0.00 0.02 0.00 0.00 56.10 55.21 1ngs s TRP 465 Cb -0.17 -2.19 0.21 0.00 -1.15 0.00 0.00 33.47 30.17 1ngs s TRP 465 CO 0.08 -0.42 0.91 0.08 0.02 0.00 0.00 176.95 177.63 1ngs s VAL 466 N 1.54 5.52 -0.83 4.03 1.01 -0.29 -0.54 120.40 130.83 1ngs s VAL 466 Ca 0.06 -2.51 -0.20 0.00 0.00 0.00 0.00 61.98 59.33 1ngs s VAL 466 Cb -0.15 -4.56 0.11 0.00 0.00 0.00 0.00 36.38 31.78 1ngs s VAL 466 CO 0.01 -1.16 1.07 0.00 0.00 0.00 0.00 175.10 175.02 1ngs s ALA 467 N 0.36 3.25 0.89 5.51 0.00 -0.31 -2.66 121.76 128.81 1ngs s ALA 467 Ca 0.24 -2.41 -0.10 0.00 0.00 0.00 0.00 51.96 49.69 1ngs s ALA 467 Cb -0.09 -3.99 0.19 0.00 0.00 0.00 0.00 23.12 19.23 1ngs s ALA 467 CO -0.09 -2.92 1.16 0.25 0.00 0.00 0.00 175.76 174.17 1ngs n THR 468 N 5.71 0.00 -3.63 0.00 -2.24 -0.70 -0.90 114.28 112.51 1ngs n THR 468 Ca 0.14 -1.18 -0.29 0.00 -2.27 0.00 0.00 64.05 60.45 1ngs n THR 468 Cb 0.48 -1.28 0.04 0.00 -2.10 0.00 0.00 70.33 67.47 1ngs n THR 468 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ngs n HIS 469 N -3.39 -1.97 0.67 4.78 8.25 -0.57 -0.00 115.22 122.97 1ngs n HIS 469 Ca 0.16 0.53 0.08 0.00 -0.26 0.00 0.00 57.72 58.23 1ngs n HIS 469 Cb 0.57 -3.58 0.37 0.00 1.12 0.00 0.00 29.99 28.46 1ngs n HIS 469 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1ngs n ASP 470 N -2.78 0.00 -0.54 0.41 5.75 -0.93 -4.35 116.55 114.11 1ngs n ASP 470 Ca -0.11 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 1ngs n ASP 470 Cb 0.60 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 1ngs n ASP 470 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1ngs n SER 471 N -1.36 0.00 0.00 -1.12 3.41 -1.26 -4.54 113.62 108.75 1ngs n SER 471 Ca 0.06 -0.54 0.02 0.00 -0.26 0.00 0.00 58.87 58.16 1ngs n SER 471 Cb 0.14 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.20 1ngs n SER 471 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1ngs n ILE 472 N 0.00 1.09 0.34 -1.33 -5.35 -1.26 -0.41 119.36 112.44 1ngs n ILE 472 Ca 0.00 0.27 0.11 0.00 -0.27 0.00 0.00 62.75 62.87 1ngs n ILE 472 Cb 0.00 -1.20 0.50 0.00 -1.74 0.00 0.00 39.64 37.20 1ngs n ILE 472 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ngs n GLY 473 N -0.92 -1.16 0.30 3.28 0.00 -1.26 -1.44 105.19 103.98 1ngs n GLY 473 Ca 0.02 0.11 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1ngs n GLY 473 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ngs h VAL 474 N 0.00 1.13 0.00 1.61 2.07 -1.07 -3.41 116.25 116.58 1ngs h VAL 474 Ca 0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ngs h VAL 474 Cb 0.27 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ngs h VAL 474 CO 0.00 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1ngs n GLY 475 N -1.34 1.04 0.35 2.17 0.00 -0.52 -4.33 105.19 102.55 1ngs n GLY 475 Ca 0.03 -0.74 0.17 0.00 0.00 0.00 0.00 46.02 45.48 1ngs n GLY 475 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ngs h GLU 476 N 0.00 0.00 -0.14 1.61 3.07 -1.53 -2.41 114.58 115.17 1ngs h GLU 476 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1ngs h GLU 476 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1ngs h GLU 476 CO 0.00 0.00 0.12 -0.44 -1.40 0.00 0.00 179.01 177.29 1ngs h ASP 477 N 0.00 0.00 -4.39 1.42 3.32 -1.88 -3.41 116.42 111.48 1ngs h ASP 477 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1ngs h ASP 477 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 1ngs h ASP 477 CO -0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1ngs n GLY 478 N -1.47 -2.56 0.37 2.75 0.00 -0.91 -4.56 105.19 98.81 1ngs n GLY 478 Ca 0.01 -1.72 0.17 0.00 0.00 0.00 0.00 46.02 44.47 1ngs n GLY 478 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ngs h PRO 479 N 0.00 0.17 0.00 1.61 0.13 -1.82 -0.04 132.00 132.05 1ngs h PRO 479 Ca 0.00 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ngs h PRO 479 Cb 0.00 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.09 1ngs h PRO 479 CO 0.00 0.11 0.00 1.79 -0.23 0.00 0.00 178.00 179.67 1ngs h THR 480 N 0.18 0.00 0.00 1.56 1.35 -1.98 -3.19 112.91 110.83 1ngs h THR 480 Ca 0.28 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 1ngs h THR 480 Cb 0.85 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 1ngs h THR 480 CO -0.04 0.00 -1.12 1.41 -0.25 0.00 0.00 175.52 175.52 1ngs n HIS 481 N -2.79 0.00 -2.98 4.73 8.25 -0.09 -4.99 115.22 117.34 1ngs n HIS 481 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1ngs n HIS 481 Cb 0.17 -0.12 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1ngs n HIS 481 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1ngs s GLN 482 N -2.29 4.19 0.41 -0.41 -0.21 -0.84 -4.57 119.66 115.94 1ngs s GLN 482 Ca -0.02 0.81 -0.25 0.00 0.02 0.00 0.00 55.36 55.93 1ngs s GLN 482 Cb 0.04 -3.62 -0.08 0.00 1.00 0.00 0.00 33.01 30.35 1ngs s GLN 482 CO 0.26 -0.41 1.18 -2.14 -2.12 0.00 0.00 175.29 172.06 1ngs s PRO 483 N 2.47 4.00 0.00 2.91 0.02 -1.26 -4.77 135.00 138.37 1ngs s PRO 483 Ca 0.32 1.86 0.00 0.00 0.02 0.00 0.00 61.00 63.20 1ngs s PRO 483 Cb -0.16 -2.64 0.00 0.00 0.02 0.00 0.00 34.50 31.72 1ngs s PRO 483 CO 0.09 -0.37 0.00 -0.89 -0.33 0.00 0.00 177.00 175.50 1ngs n ILE 484 N -0.00 0.00 0.88 2.83 2.08 -1.26 -4.60 119.36 119.28 1ngs n ILE 484 Ca 0.05 0.00 0.10 0.00 0.56 0.00 0.00 62.75 63.45 1ngs n ILE 484 Cb 0.46 -0.64 -0.01 0.00 -0.75 0.00 0.00 39.64 38.70 1ngs n ILE 484 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1ngs n GLU 485 N -2.43 1.35 0.07 0.38 0.00 -1.26 -0.51 120.64 118.25 1ngs n GLU 485 Ca 0.00 -0.82 -0.12 0.00 0.00 0.00 0.00 57.16 56.22 1ngs n GLU 485 Cb 0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 31.44 30.16 1ngs n GLU 485 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.13 178.28 1ngs h THR 486 N 1.94 0.49 -0.30 3.84 2.02 -1.95 -1.31 112.91 117.64 1ngs h THR 486 Ca 0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 1ngs h THR 486 Cb 0.65 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1ngs h THR 486 CO 0.00 0.00 -0.46 -0.07 0.37 0.00 0.00 175.52 175.36 1ngs h LEU 487 N -0.37 0.86 -0.87 2.58 3.38 -1.97 -2.07 115.31 116.85 1ngs h LEU 487 Ca 0.05 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.66 1ngs h LEU 487 Cb 0.44 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 1ngs h LEU 487 CO -0.18 1.18 0.54 0.00 0.09 0.00 0.00 178.44 180.08 1ngs h ALA 488 N 0.85 1.18 0.83 1.53 0.00 -1.84 0.75 119.26 122.56 1ngs h ALA 488 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ngs h ALA 488 Cb 1.03 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.58 1ngs h ALA 488 CO 0.10 0.31 -0.40 1.25 0.00 0.00 0.00 179.25 180.52 1ngs h HIS 489 N 1.01 -1.04 0.00 0.00 -0.00 -0.97 -3.04 115.15 111.12 1ngs h HIS 489 Ca 0.37 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1ngs h HIS 489 Cb 0.13 0.34 -0.00 0.00 -0.00 0.00 0.00 27.41 27.88 1ngs h HIS 489 CO -0.03 -0.65 -0.02 0.74 -0.00 0.00 0.00 177.93 177.98 1ngs h PHE 490 N -1.13 0.00 -0.00 5.26 0.04 -1.03 -0.66 116.94 119.41 1ngs h PHE 490 Ca -0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1ngs h PHE 490 Cb 0.86 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.01 1ngs h PHE 490 CO 0.04 0.02 -0.05 0.54 -0.60 0.00 0.00 178.31 178.26 1ngs n ARG 491 N -3.20 0.60 0.00 1.51 1.74 0.23 -2.73 116.66 114.81 1ngs n ARG 491 Ca -0.01 -0.10 0.09 0.00 -0.77 0.00 0.00 57.85 57.05 1ngs n ARG 491 Cb 0.19 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.10 1ngs n ARG 491 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1ngs n SER 492 N -1.11 1.60 -4.69 0.55 7.64 -0.26 -4.89 113.62 112.45 1ngs n SER 492 Ca 0.15 -1.30 -0.38 0.00 1.01 0.00 0.00 58.87 58.35 1ngs n SER 492 Cb 0.25 0.61 -0.07 0.00 -1.01 0.00 0.00 64.21 63.99 1ngs n SER 492 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1ngs s LEU 493 N -2.44 4.19 0.51 -3.43 2.96 -1.10 -5.06 118.68 114.31 1ngs s LEU 493 Ca 0.14 0.60 -0.22 0.00 -0.22 0.00 0.00 54.13 54.43 1ngs s LEU 493 Cb 0.15 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 1ngs s LEU 493 CO 0.57 -0.05 1.28 -2.84 -1.32 0.00 0.00 176.35 173.99 1ngs s PRO 494 N 1.09 3.38 -0.97 0.98 0.02 -1.26 -4.24 135.00 133.99 1ngs s PRO 494 Ca 0.21 2.05 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 1ngs s PRO 494 Cb -0.15 -2.31 -0.03 0.00 0.02 0.00 0.00 34.50 32.03 1ngs s PRO 494 CO 0.08 -0.94 0.83 -1.71 -0.33 0.00 0.00 177.00 174.93 1ngs n ASN 495 N -0.82 -4.20 -3.65 2.53 5.15 -1.26 -4.68 115.26 108.33 1ngs n ASN 495 Ca 0.09 -0.58 -0.05 0.00 -0.60 0.00 0.00 54.58 53.44 1ngs n ASN 495 Cb 0.46 -4.56 -0.06 0.00 -0.53 0.00 0.00 39.78 35.09 1ngs n ASN 495 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1ngs s ILE 496 N -3.33 -0.37 0.17 -1.44 2.07 -1.26 -4.16 121.20 112.88 1ngs s ILE 496 Ca 0.22 0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.18 1ngs s ILE 496 Cb -0.03 -0.96 -0.08 0.00 0.13 0.00 0.00 42.46 41.53 1ngs s ILE 496 CO 0.64 0.01 0.91 -1.10 -1.91 0.00 0.00 174.94 173.48 1ngs s GLN 497 N 2.10 4.74 -0.55 3.50 -0.21 -0.78 -4.72 119.66 123.73 1ngs s GLN 497 Ca -0.08 1.40 0.04 0.00 0.02 0.00 0.00 55.36 56.74 1ngs s GLN 497 Cb -0.08 -3.31 0.16 0.00 1.00 0.00 0.00 33.01 30.78 1ngs s GLN 497 CO -0.19 0.41 0.39 0.08 -2.12 0.00 0.00 175.29 173.86 1ngs s VAL 498 N -0.72 1.76 0.21 1.09 1.01 -1.26 -2.08 120.40 120.42 1ngs s VAL 498 Ca 0.42 -3.39 -0.30 0.00 0.00 0.00 0.00 61.98 58.71 1ngs s VAL 498 Cb -0.24 -2.18 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 1ngs s VAL 498 CO 0.30 -1.06 1.09 0.26 0.00 0.00 0.00 175.10 175.69 1ngs s TRP 499 N -0.59 3.62 -0.40 5.22 0.52 -0.08 -4.45 118.94 122.78 1ngs s TRP 499 Ca 0.26 1.66 0.08 0.00 0.02 0.00 0.00 56.10 58.12 1ngs s TRP 499 Cb -0.06 -3.25 0.25 0.00 -1.15 0.00 0.00 33.47 29.27 1ngs s TRP 499 CO -0.14 -0.49 0.54 -2.13 0.02 0.00 0.00 176.95 174.75 1ngs n ARG 500 N 1.93 0.79 -1.72 4.98 0.63 0.09 -0.66 116.66 122.70 1ngs n ARG 500 Ca 0.01 -3.28 -0.41 0.00 -0.92 0.00 0.00 57.85 53.25 1ngs n ARG 500 Cb 0.46 -1.27 0.01 0.00 0.45 0.00 0.00 32.46 32.10 1ngs n ARG 500 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1ngs n PRO 501 N 1.33 2.13 -0.01 -0.14 -0.04 -1.26 -0.88 135.00 136.13 1ngs n PRO 501 Ca 0.22 0.75 -0.16 0.00 -0.04 0.00 0.00 63.50 64.27 1ngs n PRO 501 Cb 0.53 -2.46 -0.14 0.00 -0.04 0.00 0.00 33.50 31.39 1ngs n PRO 501 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ngs n ALA 502 N -0.04 1.16 -3.03 0.55 0.00 -1.26 -4.40 120.51 113.49 1ngs n ALA 502 Ca 0.05 -0.70 -0.00 0.00 0.00 0.00 0.00 53.44 52.78 1ngs n ALA 502 Cb 0.39 -0.70 -0.00 0.00 0.00 0.00 0.00 19.45 19.14 1ngs n ALA 502 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1ngs n ASP 503 N -3.28 -0.03 -0.21 0.00 5.68 -1.26 -4.79 116.55 112.65 1ngs n ASP 503 Ca -0.27 -1.05 -0.01 0.00 -0.50 0.00 0.00 54.79 52.96 1ngs n ASP 503 Cb 1.05 0.06 0.10 0.00 -1.14 0.00 0.00 41.12 41.19 1ngs n ASP 503 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1ngs h GLY 504 N 0.05 0.89 1.81 6.12 0.00 -1.93 -1.54 103.07 108.47 1ngs h GLY 504 Ca -0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1ngs h GLY 504 CO 0.01 0.07 -0.37 3.43 0.00 0.00 0.00 176.54 179.68 1ngs h ASN 505 N 0.54 0.22 1.18 0.19 2.35 -1.91 -2.55 115.58 115.60 1ngs h ASN 505 Ca 0.29 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.86 1ngs h ASN 505 Cb 0.27 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 1ngs h ASN 505 CO -0.23 0.58 -0.48 -0.33 -1.65 0.00 0.00 177.43 175.32 1ngs h GLU 506 N 0.18 0.00 -0.09 0.81 5.08 -1.67 -2.93 114.58 115.96 1ngs h GLU 506 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1ngs h GLU 506 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1ngs h GLU 506 CO 0.06 0.48 -0.67 0.28 -1.00 0.00 0.00 179.01 178.15 1ngs h VAL 507 N 0.00 1.38 -0.29 3.13 2.07 -0.91 -1.53 116.25 120.10 1ngs h VAL 507 Ca -0.00 -2.05 -0.09 0.00 0.82 0.00 0.00 66.70 65.37 1ngs h VAL 507 Cb 1.19 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1ngs h VAL 507 CO 0.06 0.62 -0.20 0.28 0.02 0.00 0.00 177.57 178.34 1ngs h SER 508 N 0.26 0.53 0.32 0.57 0.02 -1.41 -1.08 113.55 112.77 1ngs h SER 508 Ca -0.02 -0.17 -0.19 0.00 -0.84 0.00 0.00 61.79 60.57 1ngs h SER 508 Cb 1.22 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1ngs h SER 508 CO 0.11 0.74 -0.79 0.00 -1.14 0.00 0.00 176.83 175.75 1ngs h ALA 509 N 1.31 0.55 0.16 3.77 0.00 -1.42 -0.71 119.26 122.92 1ngs h ALA 509 Ca 0.08 -0.64 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1ngs h ALA 509 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ngs h ALA 509 CO 0.04 0.79 -0.08 0.00 0.00 0.00 0.00 179.25 180.00 1ngs h ALA 510 N 0.91 -0.23 -0.27 0.00 0.00 -0.91 -1.34 119.26 117.42 1ngs h ALA 510 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1ngs h ALA 510 Cb 1.38 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1ngs h ALA 510 CO 0.13 -0.63 -0.21 1.88 0.00 0.00 0.00 179.25 180.43 1ngs h TYR 511 N -0.23 0.55 -0.14 0.00 0.05 -1.13 -1.70 116.97 114.37 1ngs h TYR 511 Ca -0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.62 1ngs h TYR 511 Cb 0.18 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.78 1ngs h TYR 511 CO -0.07 0.67 -0.04 -0.22 -1.05 0.00 0.00 178.16 177.45 1ngs h LYS 512 N 0.45 0.27 -0.51 4.88 3.64 -0.97 -1.62 116.57 122.72 1ngs h LYS 512 Ca 0.07 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1ngs h LYS 512 Cb 0.61 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1ngs h LYS 512 CO 0.04 0.57 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.79 1ngs h ASN 513 N -0.04 0.93 -0.12 4.20 4.21 -1.20 -1.46 115.58 122.10 1ngs h ASN 513 Ca 0.03 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.24 1ngs h ASN 513 Cb 0.48 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.42 1ngs h ASN 513 CO 0.02 1.05 0.03 0.28 -1.29 0.00 0.00 177.43 177.52 1ngs h SER 514 N 0.84 0.18 0.04 5.81 0.02 -1.30 -2.32 113.55 116.82 1ngs h SER 514 Ca 0.14 -0.21 -0.19 0.00 -0.84 0.00 0.00 61.79 60.68 1ngs h SER 514 Cb 0.64 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 1ngs h SER 514 CO 0.04 0.35 -0.68 -0.07 -1.14 0.00 0.00 176.83 175.33 1ngs h LEU 515 N 0.00 0.68 -1.35 5.07 3.38 -1.28 -3.03 115.31 118.78 1ngs h LEU 515 Ca 0.04 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1ngs h LEU 515 Cb 0.23 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ngs h LEU 515 CO -0.00 1.17 -0.09 -0.33 0.09 0.00 0.00 178.44 179.28 1ngs h GLU 516 N 0.42 0.00 -6.73 1.13 5.08 -1.28 -3.45 114.58 109.75 1ngs h GLU 516 Ca -0.02 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.81 1ngs h GLU 516 Cb 1.26 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.58 1ngs h GLU 516 CO 0.13 0.09 0.90 0.45 -1.00 0.00 0.00 179.01 179.58 1ngs s SER 517 N -5.91 6.45 -0.02 1.42 0.15 -0.88 -4.94 113.70 109.98 1ngs s SER 517 Ca 0.01 2.83 0.14 0.00 0.70 0.00 0.00 55.95 59.63 1ngs s SER 517 Cb 0.10 -2.62 -0.21 0.00 -1.71 0.00 0.00 66.02 61.58 1ngs s SER 517 CO 0.58 -0.88 0.35 0.29 1.20 0.00 0.00 173.24 174.78 1ngs n LYS 518 N 2.93 0.77 0.00 5.44 5.02 -1.26 -4.73 118.16 126.33 1ngs n LYS 518 Ca 0.11 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ngs n LYS 518 Cb 0.37 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.08 1ngs n LYS 518 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1ngs n HIS 519 N -1.88 0.00 -3.92 2.13 8.25 -1.26 -4.42 115.22 114.12 1ngs n HIS 519 Ca -0.02 -0.05 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 1ngs n HIS 519 Cb 0.34 -0.01 -0.17 0.00 1.12 0.00 0.00 29.99 31.28 1ngs n HIS 519 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1ngs s THR 520 N -0.10 1.07 1.14 1.59 2.01 -1.26 -4.13 115.64 115.96 1ngs s THR 520 Ca 0.00 -0.32 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 1ngs s THR 520 Cb 0.00 -1.08 0.26 0.00 0.01 0.00 0.00 72.50 71.69 1ngs s THR 520 CO 0.00 0.38 1.12 -2.16 -0.69 0.00 0.00 174.62 173.27 1ngs s PRO 521 N 1.68 -0.74 0.03 4.92 0.04 -1.21 -4.41 135.00 135.32 1ngs s PRO 521 Ca 0.05 0.02 -0.14 0.00 0.04 0.00 0.00 61.00 60.96 1ngs s PRO 521 Cb -0.13 -1.65 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1ngs s PRO 521 CO -0.08 -3.41 0.31 0.45 0.04 0.00 0.00 177.00 174.31 1ngs s SER 522 N -3.89 -0.15 -0.09 6.66 0.15 0.14 -1.87 113.70 114.65 1ngs s SER 522 Ca 0.70 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 57.24 1ngs s SER 522 Cb -0.11 0.35 0.03 0.00 -1.71 0.00 0.00 66.02 64.57 1ngs s SER 522 CO 0.56 -0.57 -0.04 -0.63 1.20 0.00 0.00 173.24 173.76 1ngs s ILE 523 N -2.18 0.71 -0.39 6.45 1.01 -0.88 -0.61 121.20 125.31 1ngs s ILE 523 Ca -0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 1ngs s ILE 523 Cb -0.02 -0.79 0.08 0.00 0.01 0.00 0.00 42.46 41.74 1ngs s ILE 523 CO -0.01 0.31 0.18 -0.63 0.00 0.00 0.00 174.94 174.79 1ngs s ILE 524 N 1.76 3.70 -0.38 2.92 1.01 0.29 -0.90 121.20 129.60 1ngs s ILE 524 Ca 0.04 -1.55 -0.28 0.00 0.00 0.00 0.00 60.65 58.85 1ngs s ILE 524 Cb -0.13 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.07 1ngs s ILE 524 CO -0.06 -0.45 1.06 0.00 0.00 0.00 0.00 174.94 175.49 1ngs s ALA 525 N 1.31 3.36 0.01 9.38 0.00 0.16 -1.16 121.76 134.82 1ngs s ALA 525 Ca 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 51.96 51.74 1ngs s ALA 525 Cb -0.22 -3.72 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1ngs s ALA 525 CO -0.00 -1.77 -0.09 -0.51 0.00 0.00 0.00 175.76 173.39 1ngs s LEU 526 N 3.88 3.05 0.63 0.00 1.43 -0.08 -4.23 118.68 123.36 1ngs s LEU 526 Ca 0.45 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 1ngs s LEU 526 Cb -0.10 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1ngs s LEU 526 CO 0.22 0.28 1.04 -0.94 0.23 0.00 0.00 176.35 177.17 1ngs s SER 527 N -1.37 6.04 -0.20 2.29 1.04 -1.26 -1.52 113.70 118.72 1ngs s SER 527 Ca 0.16 1.32 -0.19 0.00 0.48 0.00 0.00 55.95 57.72 1ngs s SER 527 Cb -0.11 -2.32 -0.20 0.00 0.10 0.00 0.00 66.02 63.49 1ngs s SER 527 CO 0.07 -0.97 0.24 -0.09 0.98 0.00 0.00 173.24 173.46 1ngs h ARG 528 N -0.38 0.04 -7.33 4.02 2.43 -1.94 -3.10 114.38 108.13 1ngs h ARG 528 Ca -0.44 -0.07 -0.51 0.00 -0.81 0.00 0.00 59.98 58.14 1ngs h ARG 528 Cb 1.21 0.03 0.12 0.00 -0.42 0.00 0.00 29.97 30.90 1ngs h ARG 528 CO 0.62 1.03 0.33 1.14 -1.51 0.00 0.00 179.97 181.59 1ngs s GLN 529 N -2.39 2.39 0.16 0.20 0.00 -1.26 -4.72 119.66 114.03 1ngs s GLN 529 Ca -0.28 1.05 -0.30 0.00 -0.00 0.00 0.00 55.36 55.83 1ngs s GLN 529 Cb 0.06 -1.92 -0.07 0.00 0.00 0.00 0.00 33.01 31.08 1ngs s GLN 529 CO 0.62 -1.52 1.03 -0.80 0.00 0.00 0.00 175.29 174.63 1ngs s ASN 530 N -3.55 7.39 0.01 12.60 0.01 -1.26 -3.93 114.94 126.20 1ngs s ASN 530 Ca 0.60 1.96 0.05 0.00 -0.71 0.00 0.00 52.86 54.77 1ngs s ASN 530 Cb -0.16 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 1ngs s ASN 530 CO 0.56 -0.13 -0.17 -0.76 -1.51 0.00 0.00 177.10 175.09 1ngs s LEU 531 N -0.28 2.09 0.86 0.60 1.43 -0.90 -4.86 118.68 117.61 1ngs s LEU 531 Ca 0.48 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1ngs s LEU 531 Cb -0.27 -0.83 0.15 0.00 0.03 0.00 0.00 46.19 45.28 1ngs s LEU 531 CO 0.33 0.16 1.19 -2.16 0.23 0.00 0.00 176.35 176.10 1ngs s PRO 532 N -0.70 1.23 -0.07 1.29 0.04 -1.26 -1.08 135.00 134.45 1ngs s PRO 532 Ca 0.06 -0.48 -0.25 0.00 0.04 0.00 0.00 61.00 60.37 1ngs s PRO 532 Cb -0.07 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 1ngs s PRO 532 CO 0.00 -1.95 0.76 -0.65 0.04 0.00 0.00 177.00 175.20 1ngs s GLN 533 N -5.61 4.44 0.26 4.56 -1.52 -1.26 -4.68 119.66 115.85 1ngs s GLN 533 Ca 0.69 0.97 -0.20 0.00 -1.95 0.00 0.00 55.36 54.87 1ngs s GLN 533 Cb -0.06 -3.46 -0.09 0.00 -0.22 0.00 0.00 33.01 29.18 1ngs s GLN 533 CO 0.50 0.00 0.77 -0.51 -0.25 0.00 0.00 175.29 175.80 1ngs s LEU 534 N 0.99 4.29 -0.55 2.90 1.43 -1.26 -4.50 118.68 121.99 1ngs s LEU 534 Ca 0.40 1.48 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 1ngs s LEU 534 Cb -0.18 -3.75 0.07 0.00 0.03 0.00 0.00 46.19 42.35 1ngs s LEU 534 CO 0.19 -0.03 0.74 -0.70 0.23 0.00 0.00 176.35 176.78 1ngs s GLU 535 N -2.15 3.14 0.00 1.70 2.56 -1.26 -3.89 118.70 118.79 1ngs s GLU 535 Ca 0.46 -0.87 0.00 0.00 0.00 0.00 0.00 54.97 54.56 1ngs s GLU 535 Cb -0.16 -4.14 0.00 0.00 2.00 0.00 0.00 34.13 31.83 1ngs s GLU 535 CO 0.21 -1.41 0.00 0.41 -0.56 0.00 0.00 175.26 173.91 1ngs n GLY 536 N 5.21 0.65 3.92 -1.50 0.00 -1.26 -4.87 105.19 107.34 1ngs n GLY 536 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 1ngs n GLY 536 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ngs s SER 537 N -0.59 5.45 -0.16 1.61 1.04 -1.25 -4.84 113.70 114.96 1ngs s SER 537 Ca 0.00 0.63 -0.34 0.00 0.48 0.00 0.00 55.95 56.72 1ngs s SER 537 Cb 0.00 -1.57 0.13 0.00 0.10 0.00 0.00 66.02 64.69 1ngs s SER 537 CO 0.00 -1.15 1.19 -0.94 0.98 0.00 0.00 173.24 173.32 1ngs s SER 538 N -4.34 -0.15 0.04 7.02 1.04 -1.26 -5.01 113.70 111.04 1ngs s SER 538 Ca 0.55 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 1ngs s SER 538 Cb -0.11 0.16 -0.17 0.00 0.10 0.00 0.00 66.02 66.01 1ngs s SER 538 CO 0.45 -0.27 1.52 0.40 0.98 0.00 0.00 173.24 176.32 1ngs h ILE 539 N 2.00 1.12 -0.29 -1.02 2.04 -1.98 0.15 117.51 119.54 1ngs h ILE 539 Ca -0.12 -0.49 0.07 0.00 1.00 0.00 0.00 64.86 65.32 1ngs h ILE 539 Cb 1.17 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.64 1ngs h ILE 539 CO 0.24 0.12 -0.15 -0.33 0.00 0.00 0.00 178.15 178.03 1ngs h GLU 540 N -0.26 -0.10 -0.17 2.37 3.07 -1.96 0.28 114.58 117.81 1ngs h GLU 540 Ca -0.00 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1ngs h GLU 540 Cb 0.24 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1ngs h GLU 540 CO 0.01 -0.07 -0.20 0.77 -1.40 0.00 0.00 179.01 178.12 1ngs h SER 541 N -0.11 0.47 -0.31 1.42 0.02 -1.95 -3.12 113.55 109.97 1ngs h SER 541 Ca 0.15 -0.49 0.02 0.00 -0.84 0.00 0.00 61.79 60.63 1ngs h SER 541 Cb 0.34 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1ngs h SER 541 CO -0.36 0.87 0.21 0.00 -1.14 0.00 0.00 176.83 176.41 1ngs h ALA 542 N 0.62 1.88 0.00 3.77 0.00 -0.47 -0.73 119.26 124.32 1ngs h ALA 542 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ngs h ALA 542 Cb 0.75 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1ngs h ALA 542 CO 0.05 0.09 0.00 0.77 0.00 0.00 0.00 179.25 180.16 1ngs h SER 543 N 0.34 0.00 -0.09 0.00 0.02 -0.39 -1.11 113.55 112.32 1ngs h SER 543 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ngs h SER 543 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ngs h SER 543 CO -0.03 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.95 1ngs n LYS 544 N -2.93 1.37 0.00 3.45 5.02 -0.28 -4.91 118.16 119.88 1ngs n LYS 544 Ca -0.02 -0.56 0.00 0.00 -2.02 0.00 0.00 58.31 55.71 1ngs n LYS 544 Cb 0.10 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1ngs n LYS 544 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ngs n GLY 545 N 0.95 2.63 3.62 0.72 0.00 -0.42 -3.28 105.19 109.41 1ngs n GLY 545 Ca 0.15 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1ngs n GLY 545 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ngs s GLY 546 N -0.60 -0.54 0.18 -0.02 0.00 -1.26 -2.00 107.32 103.07 1ngs s GLY 546 Ca 0.00 2.05 -0.17 0.00 0.00 0.00 0.00 44.72 46.60 1ngs s GLY 546 CO 0.00 1.81 0.48 -2.52 0.00 0.00 0.00 173.10 172.86 1ngs s TYR 547 N 0.54 -0.10 -0.51 1.90 1.13 -0.13 -4.97 117.35 115.21 1ngs s TYR 547 Ca -0.01 -0.23 -0.27 0.00 -1.41 0.00 0.00 57.07 55.14 1ngs s TYR 547 Cb -0.05 0.33 0.03 0.00 -1.10 0.00 0.00 41.96 41.17 1ngs s TYR 547 CO -0.02 -0.85 1.06 0.08 -2.51 0.00 0.00 175.55 173.31 1ngs s VAL 548 N -3.86 4.27 0.00 -3.49 1.01 -1.26 -0.94 120.40 116.13 1ngs s VAL 548 Ca 0.08 0.87 -0.20 0.00 0.00 0.00 0.00 61.98 62.74 1ngs s VAL 548 Cb 0.00 -4.57 -0.23 0.00 0.00 0.00 0.00 36.38 31.58 1ngs s VAL 548 CO -0.05 -1.05 1.10 0.25 0.00 0.00 0.00 175.10 175.35 1ngs h LEU 549 N 11.16 0.52 -7.83 3.92 5.85 -1.27 -3.45 115.31 124.21 1ngs h LEU 549 Ca -0.24 -0.75 -0.37 0.00 0.84 0.00 0.00 57.88 57.35 1ngs h LEU 549 Cb 1.07 -0.16 -0.31 0.00 0.37 0.00 0.00 40.66 41.62 1ngs h LEU 549 CO 1.11 1.20 -0.77 -1.10 -0.34 0.00 0.00 178.44 178.54 1ngs s GLN 550 N -3.24 0.64 0.21 1.25 -0.21 -0.71 -4.66 119.66 112.94 1ngs s GLN 550 Ca -0.13 -0.15 0.10 0.00 0.02 0.00 0.00 55.36 55.20 1ngs s GLN 550 Cb 0.03 -0.64 -0.05 0.00 1.00 0.00 0.00 33.01 33.36 1ngs s GLN 550 CO 0.82 0.02 -0.20 0.34 -2.12 0.00 0.00 175.29 174.15 1ngs s ASP 551 N 0.41 3.16 0.07 5.90 -1.08 -1.26 -1.22 116.67 122.65 1ngs s ASP 551 Ca -0.05 -0.94 -0.08 0.00 -0.52 0.00 0.00 52.55 50.97 1ngs s ASP 551 Cb -0.09 -0.23 -0.01 0.00 -1.46 0.00 0.00 42.92 41.14 1ngs s ASP 551 CO -0.00 0.01 0.15 0.68 0.52 0.00 0.00 175.17 176.54 1ngs s VAL 552 N -2.20 0.15 -0.05 1.11 -7.23 -1.26 -4.98 120.40 105.94 1ngs s VAL 552 Ca 0.22 -1.21 -0.25 0.00 -1.81 0.00 0.00 61.98 58.93 1ngs s VAL 552 Cb -0.05 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.59 1ngs s VAL 552 CO 0.10 -0.67 0.77 0.00 -0.31 0.00 0.00 175.10 174.99 1ngs s ALA 553 N -3.58 3.29 -0.94 1.32 0.00 -1.26 -4.17 121.76 116.43 1ngs s ALA 553 Ca 0.03 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.15 1ngs s ALA 553 Cb 0.04 -3.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 1ngs s ALA 553 CO -0.09 -0.13 0.77 0.09 0.00 0.00 0.00 175.76 176.40 1ngs n ASN 554 N 3.77 -6.46 -4.74 0.00 5.03 -1.26 -4.92 115.26 106.68 1ngs n ASN 554 Ca 0.00 -0.61 -0.36 0.00 0.87 0.00 0.00 54.58 54.48 1ngs n ASN 554 Cb 0.51 -4.28 0.06 0.00 -1.02 0.00 0.00 39.78 35.05 1ngs n ASN 554 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1ngs s PRO 555 N -4.43 2.65 0.15 3.52 0.04 -1.26 -4.82 135.00 130.85 1ngs s PRO 555 Ca 0.25 1.91 0.23 0.00 0.04 0.00 0.00 61.00 63.43 1ngs s PRO 555 Cb -0.06 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.78 1ngs s PRO 555 CO 0.80 -1.48 1.19 -0.44 0.04 0.00 0.00 177.00 177.11 1ngs h ASP 556 N 0.53 0.00 -4.61 6.66 3.32 0.11 -3.48 116.42 118.95 1ngs h ASP 556 Ca -0.50 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 56.43 1ngs h ASP 556 Cb 1.31 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 40.67 1ngs h ASP 556 CO 0.53 0.07 0.38 -0.51 -1.72 0.00 0.00 179.24 178.00 1ngs s ILE 557 N -3.24 0.00 -0.17 0.35 2.07 -1.15 -4.42 121.20 114.63 1ngs s ILE 557 Ca 0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1ngs s ILE 557 Cb 0.12 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 1ngs s ILE 557 CO 0.75 0.00 -0.08 -0.63 -1.91 0.00 0.00 174.94 173.07 1ngs s ILE 558 N -1.83 3.33 -0.29 2.00 1.01 -0.43 -1.99 121.20 122.99 1ngs s ILE 558 Ca -0.03 -0.54 -0.10 0.00 0.00 0.00 0.00 60.65 59.98 1ngs s ILE 558 Cb -0.00 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.99 1ngs s ILE 558 CO 0.01 0.48 0.16 -0.76 0.00 0.00 0.00 174.94 174.83 1ngs s LEU 559 N 0.75 4.01 -0.21 2.97 1.43 0.06 -1.48 118.68 126.21 1ngs s LEU 559 Ca -0.04 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.71 1ngs s LEU 559 Cb -0.15 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.99 1ngs s LEU 559 CO 0.02 -0.12 0.06 -0.69 0.23 0.00 0.00 176.35 175.84 1ngs s VAL 560 N 1.68 4.52 0.20 -1.59 1.01 -0.39 -0.52 120.40 125.29 1ngs s VAL 560 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ngs s VAL 560 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1ngs s VAL 560 CO 0.08 0.41 0.11 0.00 0.00 0.00 0.00 175.10 175.70 1ngs s ALA 561 N 0.85 1.21 0.11 5.51 0.00 -0.78 0.12 121.76 128.80 1ngs s ALA 561 Ca 0.03 -1.68 -0.01 0.00 0.00 0.00 0.00 51.96 50.30 1ngs s ALA 561 Cb -0.14 1.21 -0.04 0.00 0.00 0.00 0.00 23.12 24.15 1ngs s ALA 561 CO 0.02 -0.54 0.04 0.95 0.00 0.00 0.00 175.76 176.23 1ngs s THR 562 N -4.06 0.13 0.00 0.00 -4.23 -1.24 -1.62 115.64 104.63 1ngs s THR 562 Ca 0.36 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1ngs s THR 562 Cb 0.07 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.99 1ngs s THR 562 CO 0.10 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.21 1ngs n GLY 563 N -0.05 2.58 0.20 3.99 0.00 -0.06 -1.56 105.19 110.28 1ngs n GLY 563 Ca -0.07 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.10 1ngs n GLY 563 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ngs h SER 564 N 0.00 0.00 0.74 1.61 4.64 -1.87 -2.87 113.55 115.79 1ngs h SER 564 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ngs h SER 564 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ngs h SER 564 CO 0.00 0.00 -0.32 -0.62 -0.87 0.00 0.00 176.83 175.02 1ngs n GLU 565 N -2.43 0.03 -0.02 4.77 4.71 -0.60 -3.94 120.64 123.16 1ngs n GLU 565 Ca -0.02 0.01 -0.12 0.00 -0.01 0.00 0.00 57.16 57.03 1ngs n GLU 565 Cb 0.06 -1.53 -0.08 0.00 -1.01 0.00 0.00 31.44 28.88 1ngs n GLU 565 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1ngs h VAL 566 N 0.00 1.25 -0.26 2.62 2.07 -1.53 0.25 116.25 120.65 1ngs h VAL 566 Ca 0.00 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.76 1ngs h VAL 566 Cb 0.53 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 1ngs h VAL 566 CO 0.00 0.21 0.13 0.77 0.02 0.00 0.00 177.57 178.71 1ngs h SER 567 N -0.18 0.20 -0.60 0.57 4.64 -1.78 0.17 113.55 116.58 1ngs h SER 567 Ca 0.02 0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.44 1ngs h SER 567 Cb 0.34 -0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 1ngs h SER 567 CO 0.00 0.15 0.23 0.25 -0.87 0.00 0.00 176.83 176.59 1ngs h LEU 568 N 0.28 0.23 -1.00 5.97 5.85 -1.66 0.88 115.31 125.86 1ngs h LEU 568 Ca 0.11 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1ngs h LEU 568 Cb 0.02 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 1ngs h LEU 568 CO -0.07 0.14 0.44 0.28 -0.34 0.00 0.00 178.44 178.89 1ngs h SER 569 N 0.41 1.02 -0.88 1.25 0.02 0.00 0.34 113.55 115.71 1ngs h SER 569 Ca 0.30 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1ngs h SER 569 Cb 0.36 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1ngs h SER 569 CO -0.30 0.83 0.53 0.58 -1.14 0.00 0.00 176.83 177.33 1ngs h VAL 570 N 1.15 1.24 -0.20 2.27 2.07 0.11 -0.40 116.25 122.49 1ngs h VAL 570 Ca 0.29 -0.53 -0.19 0.00 0.82 0.00 0.00 66.70 67.09 1ngs h VAL 570 Cb 0.03 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1ngs h VAL 570 CO -0.05 0.25 -0.63 -0.33 0.02 0.00 0.00 177.57 176.83 1ngs h GLU 571 N 1.21 0.70 -0.40 1.57 4.39 0.36 -2.79 114.58 119.63 1ngs h GLU 571 Ca 0.32 -0.49 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 1ngs h GLU 571 Cb -0.05 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1ngs h GLU 571 CO -0.06 1.12 0.07 0.00 -1.16 0.00 0.00 179.01 178.97 1ngs h ALA 572 N 0.77 1.38 -0.14 3.43 0.00 0.12 -1.89 119.26 122.93 1ngs h ALA 572 Ca -0.01 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1ngs h ALA 572 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1ngs h ALA 572 CO 0.13 0.44 -0.31 0.00 0.00 0.00 0.00 179.25 179.51 1ngs h ALA 573 N 1.50 1.22 -0.46 0.00 0.00 -0.94 0.05 119.26 120.64 1ngs h ALA 573 Ca 0.13 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 1ngs h ALA 573 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ngs h ALA 573 CO 0.00 0.52 -0.14 0.87 0.00 0.00 0.00 179.25 180.50 1ngs h LYS 574 N 0.23 0.90 -0.39 0.00 6.56 -1.09 0.20 116.57 122.98 1ngs h LYS 574 Ca 0.03 -0.36 -0.10 0.00 -1.06 0.00 0.00 60.65 59.16 1ngs h LYS 574 Cb 0.67 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1ngs h LYS 574 CO 0.05 1.01 -0.17 1.15 -2.06 0.00 0.00 179.45 179.42 1ngs h THR 575 N 0.74 1.26 -0.20 -0.16 2.02 -1.03 -2.70 112.91 112.84 1ngs h THR 575 Ca 0.11 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 65.91 1ngs h THR 575 Cb 0.69 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.25 1ngs h THR 575 CO 0.05 0.42 -0.46 -0.07 0.37 0.00 0.00 175.52 175.82 1ngs h LEU 576 N 0.65 0.54 -1.04 2.58 3.38 -0.72 -2.91 115.31 117.79 1ngs h LEU 576 Ca 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1ngs h LEU 576 Cb 0.66 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1ngs h LEU 576 CO 0.05 0.93 0.61 0.00 0.09 0.00 0.00 178.44 180.11 1ngs h ALA 577 N 1.09 1.29 -0.35 1.53 0.00 -0.69 -0.44 119.26 121.70 1ngs h ALA 577 Ca 0.02 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1ngs h ALA 577 Cb 0.97 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1ngs h ALA 577 CO 0.09 0.64 0.24 0.00 0.00 0.00 0.00 179.25 180.22 1ngs h ALA 578 N 1.38 2.09 -0.55 0.00 0.00 -1.28 0.25 119.26 121.16 1ngs h ALA 578 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1ngs h ALA 578 Cb -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1ngs h ALA 578 CO -0.07 -0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.64 1ngs n LYS 579 N -4.47 4.38 -3.81 0.00 5.02 -0.56 -4.93 118.16 113.78 1ngs n LYS 579 Ca 0.04 -2.86 -0.28 0.00 -2.02 0.00 0.00 58.31 53.20 1ngs n LYS 579 Cb 0.29 -2.14 0.04 0.00 -0.02 0.00 0.00 35.03 33.21 1ngs n LYS 579 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ngs n ASN 580 N 0.68 -4.90 -4.37 4.39 5.03 0.88 -5.00 115.26 111.98 1ngs n ASN 580 Ca 0.25 -0.72 -0.34 0.00 0.87 0.00 0.00 54.58 54.64 1ngs n ASN 580 Cb 1.07 -4.20 -0.14 0.00 -1.02 0.00 0.00 39.78 35.48 1ngs n ASN 580 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1ngs s ILE 581 N -3.33 3.44 -0.30 2.41 1.01 -0.28 -4.99 121.20 119.16 1ngs s ILE 581 Ca 0.59 -0.49 -0.20 0.00 0.00 0.00 0.00 60.65 60.55 1ngs s ILE 581 Cb -0.29 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1ngs s ILE 581 CO 0.80 0.46 0.62 -0.54 0.00 0.00 0.00 174.94 176.28 1ngs s LYS 582 N 1.00 3.93 -0.15 2.79 1.02 -1.26 -3.21 119.74 123.86 1ngs s LYS 582 Ca 0.00 0.32 0.00 0.00 0.02 0.00 0.00 55.97 56.32 1ngs s LYS 582 Cb -0.15 -3.72 -0.00 0.00 -0.52 0.00 0.00 37.83 33.44 1ngs s LYS 582 CO 0.00 -0.55 -0.15 0.00 -0.92 0.00 0.00 175.35 173.73 1ngs s ALA 583 N 2.59 2.50 0.08 5.17 0.00 -1.26 0.15 121.76 130.99 1ngs s ALA 583 Ca 0.25 -1.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.02 1ngs s ALA 583 Cb -0.15 -1.21 -0.07 0.00 0.00 0.00 0.00 23.12 21.69 1ngs s ALA 583 CO 0.11 0.00 0.53 0.50 0.00 0.00 0.00 175.76 176.91 1ngs s ARG 584 N 0.76 4.07 -0.21 0.00 3.52 -0.84 -4.72 118.95 121.53 1ngs s ARG 584 Ca -0.06 0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1ngs s ARG 584 Cb -0.15 -3.13 0.02 0.00 -1.56 0.00 0.00 34.95 30.12 1ngs s ARG 584 CO 0.01 0.59 -0.12 0.08 -0.81 0.00 0.00 175.30 175.05 1ngs s VAL 585 N -1.23 2.60 -0.07 7.11 1.01 -0.35 -0.76 120.40 128.70 1ngs s VAL 585 Ca 0.31 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1ngs s VAL 585 Cb -0.17 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1ngs s VAL 585 CO 0.18 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 175.01 1ngs s VAL 586 N 1.34 4.36 -0.10 2.92 1.01 0.32 -0.76 120.40 129.49 1ngs s VAL 586 Ca 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 61.98 61.72 1ngs s VAL 586 Cb -0.14 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 1ngs s VAL 586 CO -0.08 0.56 -0.07 -0.55 0.00 0.00 0.00 175.10 174.96 1ngs s SER 587 N -1.03 4.57 -0.56 3.32 0.15 -0.11 -1.86 113.70 118.18 1ngs s SER 587 Ca 0.15 -0.10 0.07 0.00 0.70 0.00 0.00 55.95 56.76 1ngs s SER 587 Cb -0.11 -1.37 0.26 0.00 -1.71 0.00 0.00 66.02 63.08 1ngs s SER 587 CO 0.04 0.28 0.69 -0.11 1.20 0.00 0.00 173.24 175.35 1ngs n LEU 588 N 2.74 2.71 0.27 3.45 7.94 -0.64 -0.95 117.00 132.52 1ngs n LEU 588 Ca -0.18 -5.23 0.18 0.00 -1.11 0.00 0.00 56.01 49.67 1ngs n LEU 588 Cb 0.53 -0.26 0.94 0.00 0.53 0.00 0.00 43.42 45.17 1ngs n LEU 588 CO 0.29 2.08 1.04 1.55 -1.11 0.00 0.00 177.39 181.25 1ngs h PRO 589 N 4.03 0.00 -1.89 1.96 0.13 -1.73 -3.41 132.00 131.09 1ngs h PRO 589 Ca 0.16 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.23 1ngs h PRO 589 Cb 0.72 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.59 1ngs h PRO 589 CO 0.72 0.00 -0.36 0.34 -0.23 0.00 0.00 178.00 178.47 1ngs s ASP 590 N -4.81 -0.42 0.11 1.44 2.15 -0.85 -0.73 116.67 113.57 1ngs s ASP 590 Ca -0.03 0.75 -0.27 0.00 0.43 0.00 0.00 52.55 53.43 1ngs s ASP 590 Cb 0.10 1.55 -0.08 0.00 -0.30 0.00 0.00 42.92 44.19 1ngs s ASP 590 CO 0.36 -0.26 1.64 -0.26 -0.17 0.00 0.00 175.17 176.48 1ngs h PHE 591 N 8.12 -0.65 -0.29 -5.34 -1.00 -1.79 -1.77 116.94 114.22 1ngs h PHE 591 Ca -0.19 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.65 1ngs h PHE 591 Cb 1.14 0.27 -0.08 0.00 3.61 0.00 0.00 35.95 40.89 1ngs h PHE 591 CO 0.17 -0.34 -0.54 0.35 -1.61 0.00 0.00 178.31 176.34 1ngs h PHE 592 N -0.44 -1.61 -0.54 -0.55 3.57 -1.91 0.11 116.94 115.56 1ngs h PHE 592 Ca 0.03 0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.63 1ngs h PHE 592 Cb 0.47 0.74 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 1ngs h PHE 592 CO -0.23 -0.51 0.33 1.15 -2.23 0.00 0.00 178.31 176.82 1ngs h THR 593 N -0.47 1.06 -0.31 4.41 2.02 -1.87 -2.39 112.91 115.37 1ngs h THR 593 Ca 0.06 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1ngs h THR 593 Cb 0.63 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1ngs h THR 593 CO -0.53 0.12 0.16 0.15 0.37 0.00 0.00 175.52 175.79 1ngs h PHE 594 N 0.65 0.43 0.00 3.16 3.57 -0.85 -2.40 116.94 121.51 1ngs h PHE 594 Ca 0.22 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1ngs h PHE 594 Cb 0.02 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.62 1ngs h PHE 594 CO -0.06 0.37 -0.01 -0.44 -2.23 0.00 0.00 178.31 175.94 1ngs h ASP 595 N 0.37 0.00 1.03 0.41 3.32 -0.54 0.10 116.42 121.11 1ngs h ASP 595 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ngs h ASP 595 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 1ngs h ASP 595 CO -0.02 0.01 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 1ngs n LYS 596 N -3.81 0.05 -1.58 3.56 5.02 -0.91 -4.84 118.16 115.66 1ngs n LYS 596 Ca -0.03 0.08 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 1ngs n LYS 596 Cb 0.09 -1.57 0.05 0.00 -0.02 0.00 0.00 35.03 33.59 1ngs n LYS 596 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1ngs s GLN 597 N -3.03 2.81 0.33 1.97 -1.52 0.02 -4.99 119.66 115.25 1ngs s GLN 597 Ca 0.12 1.09 -0.29 0.00 -1.95 0.00 0.00 55.36 54.33 1ngs s GLN 597 Cb 0.16 -1.97 -0.11 0.00 -0.22 0.00 0.00 33.01 30.88 1ngs s GLN 597 CO 0.51 -1.21 1.41 -1.25 -0.25 0.00 0.00 175.29 174.51 1ngs s PRO 598 N -4.77 4.24 0.26 2.91 0.04 -1.26 -4.83 135.00 131.58 1ngs s PRO 598 Ca 0.60 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.92 1ngs s PRO 598 Cb -0.16 -3.04 0.37 0.00 0.04 0.00 0.00 34.50 31.72 1ngs s PRO 598 CO 0.51 -0.38 1.57 1.25 0.04 0.00 0.00 177.00 179.99 1ngs h LEU 599 N 3.64 -0.94 -1.43 -3.56 5.85 -1.94 0.19 115.31 117.11 1ngs h LEU 599 Ca -0.49 0.28 0.22 0.00 0.84 0.00 0.00 57.88 58.73 1ngs h LEU 599 Cb 1.23 0.59 -0.08 0.00 0.37 0.00 0.00 40.66 42.78 1ngs h LEU 599 CO 0.68 -0.30 0.63 -0.33 -0.34 0.00 0.00 178.44 178.78 1ngs h GLU 600 N -0.01 0.42 0.07 1.25 5.08 -1.97 0.31 114.58 119.74 1ngs h GLU 600 Ca 0.42 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1ngs h GLU 600 Cb 0.66 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1ngs h GLU 600 CO -0.94 0.28 -0.04 -0.92 -1.00 0.00 0.00 179.01 176.39 1ngs h TYR 601 N 0.43 -0.09 -0.90 4.33 3.20 -1.01 -2.88 116.97 120.05 1ngs h TYR 601 Ca 0.52 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.45 1ngs h TYR 601 Cb 1.26 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 39.50 1ngs h TYR 601 CO -0.00 0.47 0.59 0.00 -1.64 0.00 0.00 178.16 177.58 1ngs h ARG 602 N -0.82 0.98 0.00 1.82 3.08 -0.76 0.45 114.38 119.14 1ngs h ARG 602 Ca -0.01 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ngs h ARG 602 Cb 0.61 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1ngs h ARG 602 CO 0.02 0.65 0.00 1.28 -1.07 0.00 0.00 179.97 180.84 1ngs n LEU 603 N -4.49 0.17 0.07 3.04 4.77 0.94 -0.62 117.00 120.88 1ngs n LEU 603 Ca 0.14 0.53 0.04 0.00 -0.03 0.00 0.00 56.01 56.68 1ngs n LEU 603 Cb 0.21 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1ngs n LEU 603 CO 0.33 -0.18 -0.10 0.77 -1.33 0.00 0.00 177.39 176.87 1ngs h SER 604 N 0.00 0.00 0.22 -1.43 4.64 0.09 -3.21 113.55 113.86 1ngs h SER 604 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 1ngs h SER 604 Cb 0.42 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.52 1ngs h SER 604 CO 0.00 0.39 -1.70 0.58 -0.87 0.00 0.00 176.83 175.23 1ngs h VAL 605 N 0.00 1.00 -3.02 0.95 2.07 -0.35 -3.41 116.25 113.50 1ngs h VAL 605 Ca -0.10 -2.56 -0.62 0.00 0.82 0.00 0.00 66.70 64.25 1ngs h VAL 605 Cb 1.38 2.81 -0.41 0.00 -1.52 0.00 0.00 31.29 33.55 1ngs h VAL 605 CO 0.03 0.85 -0.66 -0.76 0.02 0.00 0.00 177.57 177.05 1ngs s LEU 606 N -7.33 3.98 0.00 2.57 1.43 0.21 -4.97 118.68 114.58 1ngs s LEU 606 Ca -0.14 -3.45 -0.11 0.00 -1.03 0.00 0.00 54.13 49.39 1ngs s LEU 606 Cb 0.05 -1.39 0.19 0.00 0.03 0.00 0.00 46.19 45.08 1ngs s LEU 606 CO 0.87 -0.14 1.20 -0.81 0.23 0.00 0.00 176.35 177.69 1ngs n PRO 607 N 2.48 -0.90 -2.28 1.29 -0.04 -1.21 -4.55 135.00 129.78 1ngs n PRO 607 Ca 0.17 -2.20 -0.28 0.00 -0.04 0.00 0.00 63.50 61.15 1ngs n PRO 607 Cb 0.36 -1.12 0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1ngs n PRO 607 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1ngs s ASP 608 N -5.50 5.64 -1.58 3.54 1.11 -1.26 -3.79 116.67 114.84 1ngs s ASP 608 Ca 0.71 0.85 0.00 0.00 0.18 0.00 0.00 52.55 54.29 1ngs s ASP 608 Cb -0.02 -1.83 0.00 0.00 1.07 0.00 0.00 42.92 42.13 1ngs s ASP 608 CO 0.49 -1.08 0.00 0.59 1.18 0.00 0.00 175.17 176.35 1ngs n ASN 609 N -2.66 -4.88 -3.72 0.27 3.02 0.58 -4.88 115.26 102.99 1ngs n ASN 609 Ca 0.05 0.24 -0.14 0.00 -0.03 0.00 0.00 54.58 54.69 1ngs n ASN 609 Cb 0.57 -3.87 -0.14 0.00 -0.61 0.00 0.00 39.78 35.73 1ngs n ASN 609 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1ngs s VAL 610 N -2.68 -0.12 0.34 2.41 1.01 -1.26 -4.79 120.40 115.31 1ngs s VAL 610 Ca 0.00 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1ngs s VAL 610 Cb 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 35.97 1ngs s VAL 610 CO 0.00 0.09 1.38 -2.84 0.00 0.00 0.00 175.10 173.72 1ngs s PRO 611 N 1.51 4.27 -0.13 2.72 0.02 -1.26 -4.84 135.00 137.29 1ngs s PRO 611 Ca -0.06 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.33 1ngs s PRO 611 Cb -0.11 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.38 1ngs s PRO 611 CO -0.07 -0.32 -0.20 0.42 -0.33 0.00 0.00 177.00 176.50 1ngs s ILE 612 N -1.06 1.89 -0.11 2.83 1.01 -1.26 -1.32 121.20 123.18 1ngs s ILE 612 Ca 0.51 -0.88 0.03 0.00 0.00 0.00 0.00 60.65 60.31 1ngs s ILE 612 Cb -0.42 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.38 1ngs s ILE 612 CO 0.56 0.52 -0.20 -0.32 0.00 0.00 0.00 174.94 175.50 1ngs s MET 613 N 0.83 2.65 0.38 2.79 1.75 -0.55 0.16 119.30 127.30 1ngs s MET 613 Ca -0.08 -0.73 -0.05 0.00 -1.25 0.00 0.00 55.69 53.59 1ngs s MET 613 Cb -0.16 -2.12 -0.04 0.00 2.84 0.00 0.00 34.83 35.35 1ngs s MET 613 CO -0.01 0.04 0.66 -1.54 -0.65 0.00 0.00 175.02 173.52 1ngs s SER 614 N 0.69 6.37 -0.18 1.11 1.04 -0.46 -1.27 113.70 121.00 1ngs s SER 614 Ca -0.12 0.79 -0.05 0.00 0.48 0.00 0.00 55.95 57.06 1ngs s SER 614 Cb -0.16 -2.18 0.06 0.00 0.10 0.00 0.00 66.02 63.84 1ngs s SER 614 CO 0.02 -0.37 0.10 -0.69 0.98 0.00 0.00 173.24 173.28 1ngs s VAL 615 N -2.39 -0.09 -0.29 5.02 1.01 0.12 -0.87 120.40 122.90 1ngs s VAL 615 Ca 0.45 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.10 1ngs s VAL 615 Cb -0.10 -0.60 0.11 0.00 0.00 0.00 0.00 36.38 35.79 1ngs s VAL 615 CO 0.36 -0.31 0.72 -0.70 0.00 0.00 0.00 175.10 175.18 1ngs s GLU 616 N 2.14 0.59 0.00 2.72 2.12 -0.96 -3.60 118.70 121.72 1ngs s GLU 616 Ca 0.03 1.23 0.00 0.00 0.36 0.00 0.00 54.97 56.59 1ngs s GLU 616 Cb -0.16 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.69 1ngs s GLU 616 CO -0.11 -0.16 0.92 1.33 -0.54 0.00 0.00 175.26 176.70 1ngs n VAL 617 N 4.78 0.92 -3.87 3.70 0.24 -1.26 -3.93 118.33 118.91 1ngs n VAL 617 Ca -0.16 -0.23 -0.00 0.00 -2.04 0.00 0.00 64.34 61.92 1ngs n VAL 617 Cb 0.54 -1.22 -0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1ngs n VAL 617 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1ngs n LEU 618 N 1.74 0.00 -4.53 1.34 4.32 -1.26 -4.61 117.00 113.99 1ngs n LEU 618 Ca 0.00 -0.03 -0.49 0.00 -0.02 0.00 0.00 56.01 55.47 1ngs n LEU 618 Cb 0.23 0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.01 1ngs n LEU 618 CO 0.00 -0.01 0.50 0.00 -1.22 0.00 0.00 177.39 176.67 1ngs n ALA 619 N -2.98 -1.45 0.74 -1.18 0.00 0.33 -0.77 120.51 115.21 1ngs n ALA 619 Ca -0.00 0.46 0.11 0.00 0.00 0.00 0.00 53.44 54.01 1ngs n ALA 619 Cb 0.01 -1.90 0.07 0.00 0.00 0.00 0.00 19.45 17.63 1ngs n ALA 619 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1ngs n THR 620 N 0.87 0.11 0.34 0.00 -2.24 -1.26 -4.49 114.28 107.60 1ngs n THR 620 Ca 0.15 -0.15 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 1ngs n THR 620 Cb 0.25 0.31 0.67 0.00 -2.10 0.00 0.00 70.33 69.46 1ngs n THR 620 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1ngs h THR 621 N 0.00 0.00 -0.00 4.28 1.35 -1.97 -1.85 112.91 114.72 1ngs h THR 621 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ngs h THR 621 Cb 0.64 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1ngs h THR 621 CO 0.00 0.00 -0.69 0.00 -0.25 0.00 0.00 175.52 174.58 1ngs h TRP 623 N 0.24 0.00 0.00 0.00 4.06 -1.64 -3.29 115.95 115.31 1ngs h TRP 623 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1ngs h TRP 623 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 1ngs h TRP 623 CO 0.00 0.00 0.02 0.41 -3.56 0.00 0.00 178.44 175.31 1ngs n GLY 624 N 0.44 -0.40 0.03 1.49 0.00 -1.26 -1.55 105.19 103.95 1ngs n GLY 624 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 1ngs n GLY 624 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ngs n LYS 625 N -1.39 0.12 0.00 1.61 2.85 -1.24 -4.36 118.16 115.75 1ngs n LYS 625 Ca 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 1ngs n LYS 625 Cb 0.02 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 1ngs n LYS 625 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1ngs n TYR 626 N -1.77 0.00 -4.39 5.58 4.01 -0.66 -3.87 117.16 116.06 1ngs n TYR 626 Ca 0.05 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.55 1ngs n TYR 626 Cb 0.38 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.30 1ngs n TYR 626 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ngs s ALA 627 N -1.39 2.34 -0.08 -0.72 0.00 -0.59 -4.60 121.76 116.72 1ngs s ALA 627 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.18 1ngs s ALA 627 Cb 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 23.12 22.57 1ngs s ALA 627 CO 0.00 0.33 0.69 0.45 0.00 0.00 0.00 175.76 177.23 1ngs h HIS 628 N 3.11 0.52 -3.79 0.00 3.86 -0.60 -3.40 115.15 114.84 1ngs h HIS 628 Ca -0.44 -0.38 -0.37 0.00 -1.16 0.00 0.00 60.37 58.02 1ngs h HIS 628 Cb 1.21 -0.02 -0.19 0.00 1.06 0.00 0.00 27.41 29.47 1ngs h HIS 628 CO 0.70 1.49 -0.75 -0.65 0.86 0.00 0.00 177.93 179.57 1ngs s GLN 629 N -2.47 0.85 -0.03 2.45 -1.52 -0.89 -5.03 119.66 113.02 1ngs s GLN 629 Ca -0.17 -1.08 0.02 0.00 -1.95 0.00 0.00 55.36 52.18 1ngs s GLN 629 Cb 0.03 -0.70 0.01 0.00 -0.22 0.00 0.00 33.01 32.13 1ngs s GLN 629 CO 0.80 0.14 -0.06 -1.12 -0.25 0.00 0.00 175.29 174.79 1ngs s SER 630 N -2.14 0.97 -0.40 5.90 0.01 -1.26 -1.35 113.70 115.43 1ngs s SER 630 Ca 0.03 -0.14 -0.07 0.00 1.31 0.00 0.00 55.95 57.07 1ngs s SER 630 Cb -0.06 -0.34 0.08 0.00 0.21 0.00 0.00 66.02 65.91 1ngs s SER 630 CO 0.02 0.01 0.21 0.12 0.41 0.00 0.00 173.24 174.00 1ngs s PHE 631 N 0.46 3.37 0.00 2.43 5.36 -0.05 -4.94 117.98 124.61 1ngs s PHE 631 Ca -0.06 -1.71 0.00 0.00 -0.96 0.00 0.00 56.93 54.20 1ngs s PHE 631 Cb -0.10 -2.84 0.00 0.00 -0.34 0.00 0.00 43.02 39.74 1ngs s PHE 631 CO 0.00 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.32 1ngs n GLY 632 N 4.82 4.07 2.99 13.12 0.00 -1.26 -2.26 105.19 126.67 1ngs n GLY 632 Ca -0.09 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1ngs n GLY 632 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngs s ILE 633 N -1.88 1.89 -0.75 -0.61 1.01 0.05 -4.86 121.20 116.04 1ngs s ILE 633 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 60.65 58.98 1ngs s ILE 633 Cb 0.00 -2.18 0.38 0.00 0.01 0.00 0.00 42.46 40.67 1ngs s ILE 633 CO 0.00 -0.24 1.89 0.47 0.00 0.00 0.00 174.94 177.06 1ngs n ASP 634 N 4.50 7.14 -3.46 3.58 8.00 -1.26 -3.11 116.55 131.94 1ngs n ASP 634 Ca -0.08 -3.81 -0.11 0.00 0.71 0.00 0.00 54.79 51.49 1ngs n ASP 634 Cb 0.43 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 1ngs n ASP 634 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ngs s ARG 635 N -3.95 1.12 0.93 -1.24 1.04 -1.26 -5.09 118.95 110.49 1ngs s ARG 635 Ca 0.54 -0.35 -0.11 0.00 -1.04 0.00 0.00 55.73 54.77 1ngs s ARG 635 Cb 0.45 0.52 0.15 0.00 -2.04 0.00 0.00 34.95 34.03 1ngs s ARG 635 CO -0.31 -0.48 1.11 -0.06 -0.04 0.00 0.00 175.30 175.53 1ngs s PHE 636 N -3.29 1.81 0.00 5.89 0.08 -1.26 -4.99 117.98 116.22 1ngs s PHE 636 Ca 0.01 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.64 1ngs s PHE 636 Cb -0.01 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.21 1ngs s PHE 636 CO -0.10 -2.79 0.00 0.41 -0.10 0.00 0.00 175.22 172.65 1ngs n GLY 637 N -0.09 0.12 3.28 4.36 0.00 -1.26 -5.05 105.19 106.56 1ngs n GLY 637 Ca 0.09 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.55 1ngs n GLY 637 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngs s ALA 638 N -3.67 -0.92 -0.46 4.61 0.00 -1.26 -4.62 121.76 115.44 1ngs s ALA 638 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 1ngs s ALA 638 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.27 1ngs s ALA 638 CO 0.00 -0.31 0.67 0.45 0.00 0.00 0.00 175.76 176.57 1ngs s SER 639 N -1.46 6.32 0.05 0.00 0.15 -1.26 -4.40 113.70 113.10 1ngs s SER 639 Ca -0.11 -0.40 -0.27 0.00 0.70 0.00 0.00 55.95 55.86 1ngs s SER 639 Cb -0.04 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.04 1ngs s SER 639 CO 0.04 -0.84 1.18 -0.83 1.20 0.00 0.00 173.24 173.98 1ngs s GLY 640 N 2.16 -0.23 0.23 9.45 0.00 -1.23 -4.91 107.32 112.79 1ngs s GLY 640 Ca 0.23 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.92 1ngs s GLY 640 CO 0.18 1.52 1.42 0.54 0.00 0.00 0.00 173.10 176.76 1ngs s LYS 641 N -2.48 4.29 0.26 2.90 1.02 -1.26 -1.42 119.74 123.04 1ngs s LYS 641 Ca 0.18 2.25 -0.06 0.00 0.02 0.00 0.00 55.97 58.36 1ngs s LYS 641 Cb 0.01 -3.13 0.48 0.00 -0.52 0.00 0.00 37.83 34.68 1ngs s LYS 641 CO -0.00 -0.39 1.61 0.00 -0.92 0.00 0.00 175.35 175.64 1ngs h ALA 642 N 5.19 0.80 -0.91 5.17 0.00 -1.85 0.56 119.26 128.22 1ngs h ALA 642 Ca -0.46 0.29 0.06 0.00 0.00 0.00 0.00 54.91 54.80 1ngs h ALA 642 Cb 1.22 0.52 -0.06 0.00 0.00 0.00 0.00 17.79 19.47 1ngs h ALA 642 CO 0.78 -0.45 0.59 -1.35 0.00 0.00 0.00 179.25 178.83 1ngs h PRO 643 N 0.06 1.03 -0.15 0.00 0.11 -1.92 -1.52 132.00 129.61 1ngs h PRO 643 Ca 0.45 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.34 1ngs h PRO 643 Cb 0.80 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.67 1ngs h PRO 643 CO -0.78 0.68 -0.59 0.93 -0.21 0.00 0.00 178.00 178.04 1ngs h GLU 644 N 1.06 0.49 -0.28 1.05 5.08 -1.31 -2.50 114.58 118.17 1ngs h GLU 644 Ca 0.38 -0.33 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1ngs h GLU 644 Cb 0.15 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ngs h GLU 644 CO -0.14 0.94 -0.30 0.28 -1.00 0.00 0.00 179.01 178.79 1ngs h VAL 645 N 0.37 1.28 -0.32 3.13 2.07 -0.45 -0.70 116.25 121.64 1ngs h VAL 645 Ca -0.00 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.08 1ngs h VAL 645 Cb 1.13 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1ngs h VAL 645 CO 0.11 0.45 0.04 -0.26 0.02 0.00 0.00 177.57 177.92 1ngs h PHE 646 N 0.50 0.58 -0.36 1.57 0.04 -1.23 -1.97 116.94 116.08 1ngs h PHE 646 Ca 0.06 -0.09 0.01 0.00 2.80 0.00 0.00 57.97 60.75 1ngs h PHE 646 Cb 0.77 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 1ngs h PHE 646 CO 0.03 0.63 0.23 0.87 -0.60 0.00 0.00 178.31 179.47 1ngs h LYS 647 N 0.36 0.45 -0.60 1.51 1.57 -1.33 0.13 116.57 118.66 1ngs h LYS 647 Ca 0.10 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1ngs h LYS 647 Cb 0.38 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 1ngs h LYS 647 CO 0.01 0.30 0.40 0.35 -0.57 0.00 0.00 179.45 179.94 1ngs h PHE 648 N 0.47 0.52 -0.02 -1.35 3.57 -0.93 -1.27 116.94 117.93 1ngs h PHE 648 Ca 0.13 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1ngs h PHE 648 Cb -0.04 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.53 1ngs h PHE 648 CO -0.06 0.26 0.00 1.19 -2.23 0.00 0.00 178.31 177.48 1ngs n PHE 649 N -4.48 0.01 -0.58 0.41 3.72 -0.76 -4.93 117.46 110.86 1ngs n PHE 649 Ca 0.09 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 1ngs n PHE 649 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1ngs n PHE 649 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ngs n GLY 650 N 1.18 0.78 2.71 1.37 0.00 -0.48 -4.98 105.19 105.78 1ngs n GLY 650 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1ngs n GLY 650 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ngs n PHE 651 N -2.07 3.43 -4.42 1.61 3.01 0.40 -4.30 117.46 115.13 1ngs n PHE 651 Ca 0.00 -2.97 -0.24 0.00 1.01 0.00 0.00 57.45 55.25 1ngs n PHE 651 Cb 0.00 -2.51 -0.11 0.00 -0.01 0.00 0.00 39.48 36.85 1ngs n PHE 651 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1ngs s THR 652 N 2.94 2.25 0.13 4.37 -4.23 -1.26 -4.50 115.64 115.34 1ngs s THR 652 Ca 0.48 -2.19 -0.29 0.00 -1.18 0.00 0.00 61.69 58.50 1ngs s THR 652 Cb 0.14 -2.14 -0.06 0.00 1.34 0.00 0.00 72.50 71.77 1ngs s THR 652 CO -0.08 -0.32 1.58 -0.65 -0.54 0.00 0.00 174.62 174.61 1ngs h PRO 653 N 2.74 -0.49 0.00 3.99 0.11 -1.89 -0.09 132.00 136.37 1ngs h PRO 653 Ca -0.42 0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 1ngs h PRO 653 Cb 1.23 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1ngs h PRO 653 CO 0.55 -0.33 -0.10 0.93 -0.21 0.00 0.00 178.00 178.84 1ngs h GLU 654 N -0.51 0.00 -0.48 1.05 5.08 -1.93 0.25 114.58 118.04 1ngs h GLU 654 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 1ngs h GLU 654 Cb 0.63 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1ngs h GLU 654 CO -0.39 0.10 -0.11 0.78 -1.00 0.00 0.00 179.01 178.39 1ngs h GLY 655 N 0.43 1.01 0.96 -3.84 0.00 -1.41 -1.21 103.07 99.01 1ngs h GLY 655 Ca -0.00 -0.83 -0.14 0.00 0.00 0.00 0.00 47.33 46.36 1ngs h GLY 655 CO 0.01 0.76 -0.43 -2.08 0.00 0.00 0.00 176.54 174.80 1ngs h VAL 656 N 0.78 1.32 -0.62 4.60 2.07 -0.18 -3.06 116.25 121.17 1ngs h VAL 656 Ca 0.12 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 66.03 1ngs h VAL 656 Cb 0.67 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 1ngs h VAL 656 CO 0.05 0.52 0.33 0.00 0.02 0.00 0.00 177.57 178.49 1ngs h ALA 657 N 0.60 0.81 -0.44 1.67 0.00 -0.90 -1.00 119.26 120.00 1ngs h ALA 657 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1ngs h ALA 657 Cb 1.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1ngs h ALA 657 CO 0.10 0.00 0.20 1.49 0.00 0.00 0.00 179.25 181.04 1ngs h GLU 658 N 0.63 0.39 -0.10 0.00 4.81 -1.24 -0.39 114.58 118.68 1ngs h GLU 658 Ca 0.27 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 1ngs h GLU 658 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1ngs h GLU 658 CO -0.17 0.26 -0.26 0.00 -0.73 0.00 0.00 179.01 178.11 1ngs h ARG 659 N 0.41 0.18 -0.31 1.92 3.08 -1.28 -0.78 114.38 117.61 1ngs h ARG 659 Ca 0.19 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.10 1ngs h ARG 659 Cb 0.13 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1ngs h ARG 659 CO -0.15 0.44 -0.14 0.00 -1.07 0.00 0.00 179.97 179.04 1ngs h ALA 660 N 1.57 0.43 -0.95 0.04 0.00 -0.39 -1.82 119.26 118.14 1ngs h ALA 660 Ca 0.03 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1ngs h ALA 660 Cb 0.56 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1ngs h ALA 660 CO 0.04 0.33 0.62 1.96 0.00 0.00 0.00 179.25 182.20 1ngs h GLN 661 N 0.40 1.16 -0.23 0.00 4.20 -0.48 -0.83 115.11 119.33 1ngs h GLN 661 Ca 0.07 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1ngs h GLN 661 Cb 0.67 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1ngs h GLN 661 CO 0.04 0.77 -0.41 0.87 -0.67 0.00 0.00 178.83 179.43 1ngs h LYS 662 N 1.20 0.55 -0.47 1.46 1.79 -1.00 -2.25 116.57 117.84 1ngs h LYS 662 Ca 0.37 -0.28 -0.12 0.00 -2.18 0.00 0.00 60.65 58.44 1ngs h LYS 662 Cb 0.00 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 1ngs h LYS 662 CO -0.11 0.87 -0.18 1.15 -1.08 0.00 0.00 179.45 180.09 1ngs h THR 663 N 0.45 1.27 0.03 -0.16 2.02 -0.47 -0.90 112.91 115.15 1ngs h THR 663 Ca 0.04 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 65.89 1ngs h THR 663 Cb 0.91 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1ngs h THR 663 CO 0.08 0.46 -0.01 0.40 0.37 0.00 0.00 175.52 176.81 1ngs h ILE 664 N 0.82 1.15 -0.46 3.11 2.04 -1.12 -2.12 117.51 120.93 1ngs h ILE 664 Ca 0.12 -0.55 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1ngs h ILE 664 Cb 0.74 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 1ngs h ILE 664 CO 0.06 0.14 0.27 0.00 0.00 0.00 0.00 178.15 178.62 1ngs h ALA 665 N 0.68 0.59 -0.85 1.87 0.00 -1.33 0.30 119.26 120.51 1ngs h ALA 665 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 1ngs h ALA 665 Cb 0.26 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1ngs h ALA 665 CO 0.01 -0.05 0.51 0.35 0.00 0.00 0.00 179.25 180.07 1ngs h PHE 666 N 0.54 0.93 0.00 0.00 3.57 -1.08 -2.67 116.94 118.22 1ngs h PHE 666 Ca 0.19 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1ngs h PHE 666 Cb 0.02 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.47 1ngs h PHE 666 CO -0.07 0.42 -0.79 0.66 -2.23 0.00 0.00 178.31 176.30 1ngs n TYR 667 N -4.68 0.02 -1.50 0.41 4.01 -0.80 -4.94 117.16 109.68 1ngs n TYR 667 Ca 0.13 0.01 -0.53 0.00 -0.16 0.00 0.00 57.90 57.35 1ngs n TYR 667 Cb 0.24 -0.14 -0.07 0.00 -0.31 0.00 0.00 39.34 39.05 1ngs n TYR 667 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1ngs n LYS 668 N -1.54 1.09 0.00 -0.72 3.00 0.10 -0.59 118.16 119.50 1ngs n LYS 668 Ca 0.04 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.68 1ngs n LYS 668 Cb 0.34 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.04 1ngs n LYS 668 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ngs n GLY 669 N 6.04 2.66 3.88 3.14 0.00 -1.26 -5.04 105.19 114.61 1ngs n GLY 669 Ca 0.38 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.09 1ngs n GLY 669 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ngs s ASP 670 N -1.38 6.59 -0.12 1.61 1.01 0.25 -5.06 116.67 119.57 1ngs s ASP 670 Ca 0.00 0.96 -0.16 0.00 0.71 0.00 0.00 52.55 54.06 1ngs s ASP 670 Cb 0.00 -2.24 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 1ngs s ASP 670 CO 0.00 -0.17 0.38 -0.75 0.21 0.00 0.00 175.17 174.84 1ngs s LYS 671 N -3.16 4.24 -0.00 8.23 2.47 -1.26 -5.04 119.74 125.21 1ngs s LYS 671 Ca 0.48 0.28 0.03 0.00 -1.56 0.00 0.00 55.97 55.21 1ngs s LYS 671 Cb -0.11 -3.40 -0.03 0.00 -1.46 0.00 0.00 37.83 32.83 1ngs s LYS 671 CO 0.24 0.27 -0.08 -0.51 0.16 0.00 0.00 175.35 175.43 1ngs s LEU 672 N 0.32 3.09 -0.10 5.43 1.43 -1.26 -4.98 118.68 122.61 1ngs s LEU 672 Ca 0.21 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.14 1ngs s LEU 672 Cb -0.14 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 1ngs s LEU 672 CO 0.08 0.29 -0.06 -0.63 0.23 0.00 0.00 176.35 176.26 1ngs s ILE 673 N -0.96 3.74 0.30 -0.59 1.01 -1.26 0.21 121.20 123.66 1ngs s ILE 673 Ca 0.16 -0.44 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 1ngs s ILE 673 Cb -0.11 -2.57 -0.11 0.00 0.01 0.00 0.00 42.46 39.68 1ngs s ILE 673 CO 0.06 0.56 1.51 -0.55 0.00 0.00 0.00 174.94 176.52 1ngs s SER 674 N -0.34 6.47 0.62 3.58 0.15 -1.25 -4.85 113.70 118.09 1ngs s SER 674 Ca 0.05 2.88 0.31 0.00 0.70 0.00 0.00 55.95 59.89 1ngs s SER 674 Cb -0.12 -2.64 1.72 0.00 -1.71 0.00 0.00 66.02 63.27 1ngs s SER 674 CO 0.02 -0.82 2.06 -0.65 1.20 0.00 0.00 173.24 175.06 1ngs h PRO 675 N 4.36 0.00 0.00 5.44 0.11 -1.83 -2.82 132.00 137.25 1ngs h PRO 675 Ca -0.48 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1ngs h PRO 675 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1ngs h PRO 675 CO 0.74 0.00 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.31 1ngs h LEU 676 N 0.00 0.00 -9.37 2.35 3.38 -1.87 -3.44 115.31 106.36 1ngs h LEU 676 Ca 0.08 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.50 1ngs h LEU 676 Cb 0.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 1ngs h LEU 676 CO -0.00 0.15 0.87 -0.54 0.09 0.00 0.00 178.44 179.01 1ngs s LYS 677 N -4.48 4.26 0.05 1.13 1.02 -1.07 -5.02 119.74 115.64 1ngs s LYS 677 Ca -0.04 2.01 0.07 0.00 0.02 0.00 0.00 55.97 58.03 1ngs s LYS 677 Cb 0.15 -3.61 -0.03 0.00 -0.52 0.00 0.00 37.83 33.81 1ngs s LYS 677 CO 0.65 -0.62 -0.16 0.15 -0.92 0.00 0.00 175.35 174.45 1ngs s LYS 678 N 2.57 2.10 0.10 1.68 -0.14 -1.26 -5.04 119.74 119.75 1ngs s LYS 678 Ca 0.65 -0.97 0.08 0.00 -1.36 0.00 0.00 55.97 54.36 1ngs s LYS 678 Cb -0.32 -2.23 -0.21 0.00 -1.68 0.00 0.00 37.83 33.39 1ngs s LYS 678 CO 0.27 0.54 1.19 0.00 -0.76 0.00 0.00 175.35 176.59 1ngs h ALA 679 N 4.38 0.41 0.00 5.17 0.00 -2.00 -3.56 119.26 123.65 1ngs h ALA 679 Ca -0.48 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 53.44 1ngs h ALA 679 Cb 1.16 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ngs h ALA 679 CO 0.48 1.29 0.00 1.97 0.00 0.00 0.00 179.25 183.00