#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 3.12 0.11 2.61 0.08 -1.26 -5.11 117.98 117.54 1ngs s PHE 4 Ca 0.00 0.04 0.01 0.00 0.12 0.00 0.00 56.93 57.10 1ngs s PHE 4 Cb 0.00 -1.59 -0.00 0.00 -0.57 0.00 0.00 43.02 40.85 1ngs s PHE 4 CO 0.00 0.51 0.04 0.25 -0.10 0.00 0.00 175.22 175.92 1ngs n THR 5 N 0.49 0.00 0.05 0.64 -2.24 -1.26 -5.02 114.28 106.95 1ngs n THR 5 Ca -0.09 -0.63 0.15 0.00 -2.27 0.00 0.00 64.05 61.21 1ngs n THR 5 Cb 0.52 0.23 0.63 0.00 -2.10 0.00 0.00 70.33 69.60 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 0.43 0.09 -0.11 3.42 5.19 -2.00 -1.20 116.42 122.24 1ngs h ASP 6 Ca -0.08 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.18 1ngs h ASP 6 Cb 0.32 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 1ngs h ASP 6 CO 0.13 0.05 -0.44 -0.29 -3.12 0.00 0.00 179.24 175.57 1ngs h ILE 7 N 0.10 1.30 -0.65 0.35 6.09 -1.97 0.54 117.51 123.27 1ngs h ILE 7 Ca 0.19 -1.63 -0.06 0.00 -1.37 0.00 0.00 64.86 61.99 1ngs h ILE 7 Cb 0.63 1.57 -0.03 0.00 0.47 0.00 0.00 36.82 39.47 1ngs h ILE 7 CO -0.02 0.52 0.18 0.44 -3.07 0.00 0.00 178.15 176.21 1ngs h ASP 8 N 0.53 0.96 0.42 2.19 3.32 -1.64 0.34 116.42 122.53 1ngs h ASP 8 Ca 0.04 -0.22 -0.14 0.00 0.02 0.00 0.00 57.03 56.73 1ngs h ASP 8 Cb 0.98 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 1ngs h ASP 8 CO 0.09 0.92 -0.58 0.11 -1.72 0.00 0.00 179.24 178.06 1ngs h LYS 9 N 0.94 0.17 -0.43 3.56 1.57 -1.06 -1.98 116.57 119.34 1ngs h LYS 9 Ca 0.21 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.72 1ngs h LYS 9 Cb 0.32 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ngs h LYS 9 CO -0.00 0.71 -0.31 1.25 -0.57 0.00 0.00 179.45 180.52 1ngs h LEU 10 N 0.13 1.01 -0.68 2.94 5.85 0.87 -3.07 115.31 122.36 1ngs h LEU 10 Ca -0.00 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 58.30 1ngs h LEU 10 Cb 1.07 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1ngs h LEU 10 CO 0.09 1.22 0.44 0.00 -0.34 0.00 0.00 178.44 179.85 1ngs h ALA 11 N 0.83 0.86 -0.37 1.25 0.00 -0.15 -2.60 119.26 119.09 1ngs h ALA 11 Ca 0.08 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ngs h ALA 11 Cb 0.90 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1ngs h ALA 11 CO 0.08 0.26 0.06 0.28 0.00 0.00 0.00 179.25 179.93 1ngs h VAL 12 N 0.89 1.18 -0.01 0.00 2.07 -1.31 -2.37 116.25 116.71 1ngs h VAL 12 Ca 0.25 -0.68 -0.17 0.00 0.82 0.00 0.00 66.70 66.92 1ngs h VAL 12 Cb -0.07 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1ngs h VAL 12 CO -0.07 0.24 -0.78 0.28 0.02 0.00 0.00 177.57 177.26 1ngs h SER 13 N 0.53 0.18 -0.53 0.57 0.02 -1.40 -2.57 113.55 110.36 1ngs h SER 13 Ca 0.12 -0.13 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1ngs h SER 13 Cb 0.26 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ngs h SER 13 CO 0.00 0.89 0.10 0.74 -1.14 0.00 0.00 176.83 177.42 1ngs h THR 14 N 0.09 1.24 -0.18 -2.27 2.02 -1.14 -0.17 112.91 112.50 1ngs h THR 14 Ca -0.03 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.15 1ngs h THR 14 Cb 1.37 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1ngs h THR 14 CO 0.11 0.34 -0.23 0.40 0.37 0.00 0.00 175.52 176.51 1ngs h ILE 15 N 0.86 1.34 -0.54 3.11 2.04 -1.39 0.18 117.51 123.12 1ngs h ILE 15 Ca 0.18 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.51 1ngs h ILE 15 Cb 0.37 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1ngs h ILE 15 CO 0.01 0.43 -0.08 0.03 0.00 0.00 0.00 178.15 178.54 1ngs h ARG 16 N 0.14 0.98 0.05 2.37 3.08 -1.28 -2.00 114.38 117.71 1ngs h ARG 16 Ca 0.02 -0.34 -0.25 0.00 0.07 0.00 0.00 59.98 59.48 1ngs h ARG 16 Cb 0.79 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.78 1ngs h ARG 16 CO 0.05 1.01 -1.06 0.82 -1.07 0.00 0.00 179.97 179.73 1ngs h ILE 17 N 0.88 1.38 -0.42 2.04 2.04 -0.98 -2.38 117.51 120.07 1ngs h ILE 17 Ca 0.15 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.46 1ngs h ILE 17 Cb 0.62 2.56 -0.02 0.00 -0.74 0.00 0.00 36.82 39.24 1ngs h ILE 17 CO 0.04 0.76 0.22 0.25 0.00 0.00 0.00 178.15 179.42 1ngs h LEU 18 N 0.23 0.53 -1.01 1.44 5.85 -0.54 0.12 115.31 121.93 1ngs h LEU 18 Ca -0.11 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1ngs h LEU 18 Cb 1.72 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 1ngs h LEU 18 CO 0.19 0.49 0.16 0.00 -0.34 0.00 0.00 178.44 178.94 1ngs h ALA 19 N 1.07 1.20 -0.29 1.25 0.00 -1.41 -1.46 119.26 119.61 1ngs h ALA 19 Ca 0.15 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1ngs h ALA 19 Cb 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ngs h ALA 19 CO -0.02 0.56 -0.22 0.28 0.00 0.00 0.00 179.25 179.84 1ngs h VAL 20 N 0.85 1.30 -0.89 0.00 2.07 -0.94 -2.33 116.25 116.31 1ngs h VAL 20 Ca 0.19 -1.37 0.01 0.00 0.82 0.00 0.00 66.70 66.35 1ngs h VAL 20 Cb 0.28 1.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1ngs h VAL 20 CO -0.01 0.44 0.58 0.44 0.02 0.00 0.00 177.57 179.04 1ngs h ASP 21 N 0.41 1.03 -0.35 0.57 3.32 -0.42 -1.11 116.42 119.86 1ngs h ASP 21 Ca 0.05 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 56.96 1ngs h ASP 21 Cb 0.77 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.05 1ngs h ASP 21 CO 0.06 0.75 -0.16 0.74 -1.72 0.00 0.00 179.24 178.91 1ngs h THR 22 N 1.21 1.27 -0.06 0.35 2.02 -1.21 -1.32 112.91 115.17 1ngs h THR 22 Ca 0.32 -1.27 -0.21 0.00 0.77 0.00 0.00 66.41 66.03 1ngs h THR 22 Cb -0.12 1.11 0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1ngs h THR 22 CO -0.07 0.43 -0.78 0.58 0.37 0.00 0.00 175.52 176.05 1ngs h VAL 23 N 0.73 1.32 -0.44 3.16 2.07 -1.03 -3.19 116.25 118.88 1ngs h VAL 23 Ca 0.11 -2.06 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 1ngs h VAL 23 Cb 0.67 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1ngs h VAL 23 CO 0.05 0.63 0.03 0.28 0.02 0.00 0.00 177.57 178.58 1ngs h SER 24 N 0.28 0.74 -0.18 0.57 0.02 -1.20 -1.97 113.55 111.80 1ngs h SER 24 Ca -0.08 -0.29 0.01 0.00 -0.84 0.00 0.00 61.79 60.59 1ngs h SER 24 Cb 1.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1ngs h SER 24 CO 0.16 0.84 0.12 0.50 -1.14 0.00 0.00 176.83 177.31 1ngs h LYS 25 N 0.61 0.23 0.00 3.45 3.64 -1.32 -1.37 116.57 121.80 1ngs h LYS 25 Ca 0.13 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ngs h LYS 25 Cb 0.45 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1ngs h LYS 25 CO 0.02 0.15 -0.50 0.00 -2.27 0.00 0.00 179.45 176.85 1ngs n ALA 26 N -2.51 2.81 -3.66 5.00 0.00 -1.14 -4.93 120.51 116.07 1ngs n ALA 26 Ca -0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 53.44 52.96 1ngs n ALA 26 Cb 0.09 -1.23 0.01 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.13 -4.24 -3.64 0.00 4.05 -0.52 -4.92 115.26 103.87 1ngs n ASN 27 Ca 0.04 -0.61 -0.09 0.00 0.45 0.00 0.00 54.58 54.37 1ngs n ASN 27 Cb 0.43 -3.45 -0.07 0.00 1.23 0.00 0.00 39.78 37.93 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 -3.00 -0.69 0.00 1.20 0.15 -1.20 -4.87 113.70 105.30 1ngs s SER 28 Ca 0.54 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.40 1ngs s SER 28 Cb -0.28 1.25 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1ngs s SER 28 CO 0.67 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.52 1ngs n GLY 29 N 3.23 1.94 3.11 9.45 0.00 -1.26 -4.75 105.19 116.91 1ngs n GLY 29 Ca -0.16 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.63 3.54 0.04 1.61 3.76 -1.26 -2.11 115.29 119.24 1ngs s HIS 30 Ca 0.00 -2.43 0.05 0.00 -0.15 0.00 0.00 55.06 52.54 1ngs s HIS 30 Cb 0.00 -2.81 -0.24 0.00 1.11 0.00 0.00 32.58 30.64 1ngs s HIS 30 CO 0.00 -0.92 0.99 -1.00 -0.85 0.00 0.00 174.74 172.96 1ngs h PRO 31 N 7.91 0.08 -0.00 8.40 0.13 -1.72 -3.42 132.00 143.38 1ngs h PRO 31 Ca -0.13 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1ngs h PRO 31 Cb 1.04 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ngs h PRO 31 CO 0.60 0.90 -0.01 0.78 -0.23 0.00 0.00 178.00 180.04 1ngs h GLY 32 N 2.73 -1.61 0.85 1.56 0.00 -1.26 -2.67 103.07 102.67 1ngs h GLY 32 Ca -0.15 0.70 0.03 0.00 0.00 0.00 0.00 47.33 47.90 1ngs h GLY 32 CO 0.13 -0.61 0.26 0.00 0.00 0.00 0.00 176.54 176.32 1ngs h ALA 33 N -1.38 0.58 -0.97 3.60 0.00 -1.84 -1.81 119.26 117.45 1ngs h ALA 33 Ca 0.00 -0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.08 1ngs h ALA 33 Cb 0.02 -0.11 -0.09 0.00 0.00 0.00 0.00 17.79 17.61 1ngs h ALA 33 CO -0.01 -0.07 0.61 -1.35 0.00 0.00 0.00 179.25 178.43 1ngs h PRO 34 N 0.52 0.74 -0.17 0.00 0.10 -1.80 0.32 132.00 131.72 1ngs h PRO 34 Ca 0.19 -0.04 -0.13 0.00 0.10 0.00 0.00 66.00 66.12 1ngs h PRO 34 Cb 0.04 -0.17 -0.01 0.00 0.10 0.00 0.00 31.00 30.97 1ngs h PRO 34 CO -0.10 0.49 -0.45 -0.07 0.10 0.00 0.00 178.00 177.97 1ngs h LEU 35 N 0.76 0.45 0.00 2.35 3.38 -1.10 -2.47 115.31 118.68 1ngs h LEU 35 Ca 0.52 -0.21 -0.15 0.00 0.09 0.00 0.00 57.88 58.13 1ngs h LEU 35 Cb 0.80 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1ngs h LEU 35 CO -0.29 0.84 -1.17 1.23 0.09 0.00 0.00 178.44 179.14 1ngs h GLY 36 N 1.16 0.00 -1.41 0.83 0.00 -0.79 -3.36 103.07 99.51 1ngs h GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 1ngs h GLY 36 CO 0.08 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.65 1ngs n MET 37 N -2.98 2.09 -0.12 4.80 2.81 0.10 -4.50 117.12 119.32 1ngs n MET 37 Ca -0.06 -1.59 -0.08 0.00 -1.81 0.00 0.00 57.70 54.16 1ngs n MET 37 Cb 0.81 -1.47 0.01 0.00 -0.71 0.00 0.00 33.22 31.86 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 4.52 0.49 -0.71 3.04 0.00 -1.58 -1.72 119.26 123.29 1ngs h ALA 38 Ca 0.00 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1ngs h ALA 38 Cb 0.80 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 1ngs h ALA 38 CO 0.00 -0.09 0.44 -1.35 0.00 0.00 0.00 179.25 178.25 1ngs h PRO 39 N 0.48 0.83 -0.67 0.00 0.11 -1.83 -1.62 132.00 129.29 1ngs h PRO 39 Ca 0.15 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ngs h PRO 39 Cb -0.01 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 30.88 1ngs h PRO 39 CO -0.06 0.55 0.42 0.00 -0.21 0.00 0.00 178.00 178.69 1ngs h ALA 40 N 1.32 0.85 0.34 -0.75 0.00 -1.74 -1.73 119.26 117.54 1ngs h ALA 40 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1ngs h ALA 40 Cb 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1ngs h ALA 40 CO -0.12 0.31 -0.16 0.00 0.00 0.00 0.00 179.25 179.27 1ngs h ALA 41 N 1.22 -0.45 -0.09 0.00 0.00 -0.92 1.00 119.26 120.02 1ngs h ALA 41 Ca 0.24 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1ngs h ALA 41 Cb -0.05 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1ngs h ALA 41 CO -0.05 -0.74 -0.36 1.25 0.00 0.00 0.00 179.25 179.35 1ngs h HIS 42 N -0.49 -1.02 -0.26 0.00 6.17 -1.12 0.15 115.15 118.57 1ngs h HIS 42 Ca -0.05 0.04 0.04 0.00 0.71 0.00 0.00 60.37 61.12 1ngs h HIS 42 Cb 0.37 0.46 -0.04 0.00 2.52 0.00 0.00 27.41 30.72 1ngs h HIS 42 CO -0.04 -0.44 0.01 0.28 0.71 0.00 0.00 177.93 178.45 1ngs h VAL 43 N -0.47 0.82 0.44 5.26 2.07 -1.20 -1.91 116.25 121.27 1ngs h VAL 43 Ca 0.08 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ngs h VAL 43 Cb 0.59 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ngs h VAL 43 CO -0.35 0.02 -0.21 0.25 0.02 0.00 0.00 177.57 177.30 1ngs h LEU 44 N 0.09 -0.50 -1.39 2.57 5.85 -0.32 -3.14 115.31 118.48 1ngs h LEU 44 Ca 0.13 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1ngs h LEU 44 Cb 0.16 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1ngs h LEU 44 CO -0.20 -0.24 0.46 -0.50 -0.34 0.00 0.00 178.44 177.61 1ngs h TRP 45 N -0.74 0.76 0.00 1.25 4.06 -0.70 -1.35 115.95 119.22 1ngs h TRP 45 Ca -0.06 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.90 1ngs h TRP 45 Cb 0.53 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1ngs h TRP 45 CO -0.01 0.42 -0.07 0.77 -3.56 0.00 0.00 178.44 175.99 1ngs h SER 46 N 0.76 0.00 -0.02 -3.49 0.02 -1.34 -2.50 113.55 106.99 1ngs h SER 46 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1ngs h SER 46 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ngs h SER 46 CO -0.09 0.07 -0.03 1.67 -1.14 0.00 0.00 176.83 177.30 1ngs n GLN 47 N -3.47 1.39 -3.17 3.45 0.00 -0.57 -4.83 117.38 110.17 1ngs n GLN 47 Ca -0.02 -1.44 -0.37 0.00 -0.00 0.00 0.00 57.00 55.18 1ngs n GLN 47 Cb 0.20 -1.32 -0.06 0.00 0.00 0.00 0.00 30.24 29.06 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 -1.46 4.21 -0.48 3.69 -1.94 -0.84 -5.04 119.30 117.45 1ngs s MET 48 Ca 0.19 0.79 -0.18 0.00 -1.71 0.00 0.00 55.69 54.78 1ngs s MET 48 Cb 0.14 -2.97 0.05 0.00 2.01 0.00 0.00 34.83 34.05 1ngs s MET 48 CO 0.23 0.46 0.55 0.50 -0.01 0.00 0.00 175.02 176.75 1ngs s ARG 49 N -1.78 3.11 -0.01 2.03 3.52 -1.26 -4.99 118.95 119.58 1ngs s ARG 49 Ca 0.39 -0.88 -0.24 0.00 -0.13 0.00 0.00 55.73 54.87 1ngs s ARG 49 Cb -0.17 -4.06 0.05 0.00 -1.56 0.00 0.00 34.95 29.21 1ngs s ARG 49 CO 0.21 -1.09 0.54 0.00 -0.81 0.00 0.00 175.30 174.14 1ngs s MET 50 N 2.39 0.96 -0.43 5.12 0.23 -1.26 -0.06 119.30 126.25 1ngs s MET 50 Ca 0.13 -0.03 -0.03 0.00 -1.03 0.00 0.00 55.69 54.74 1ngs s MET 50 Cb -0.19 0.44 0.12 0.00 -1.53 0.00 0.00 34.83 33.67 1ngs s MET 50 CO 0.12 -0.31 0.23 1.21 -2.03 0.00 0.00 175.02 174.24 1ngs s ASN 51 N -1.52 5.24 0.66 -1.18 3.84 -1.26 -4.23 114.94 116.48 1ngs s ASN 51 Ca -0.09 -2.14 0.31 0.00 0.21 0.00 0.00 52.86 51.15 1ngs s ASN 51 Cb -0.01 -1.83 1.67 0.00 -0.55 0.00 0.00 41.25 40.53 1ngs s ASN 51 CO 0.04 -0.52 1.95 -0.65 -2.79 0.00 0.00 177.10 175.14 1ngs h PRO 52 N 7.91 0.00 -0.00 0.43 0.11 -1.87 0.05 132.00 138.63 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 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1ngs h PRO 52 CO 0.70 0.00 -0.27 0.25 -0.21 0.00 0.00 178.00 178.47 1ngs n THR 53 N -3.02 0.00 -3.28 -1.15 -2.24 -1.26 -4.42 114.28 98.91 1ngs n THR 53 Ca -0.01 -0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.51 1ngs n THR 53 Cb 0.39 0.14 -0.07 0.00 -2.10 0.00 0.00 70.33 68.69 1ngs n THR 53 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ngs s ASN 54 N -2.69 0.97 0.00 3.42 3.04 -0.00 -4.99 114.94 114.69 1ngs s ASN 54 Ca 0.21 -2.24 0.16 0.00 0.04 0.00 0.00 52.86 51.03 1ngs s ASN 54 Cb 0.19 0.33 0.96 0.00 -1.54 0.00 0.00 41.25 41.19 1ngs s ASN 54 CO 0.56 -0.19 1.40 -2.65 -3.04 0.00 0.00 177.10 173.18 1ngs n PRO 55 N 3.46 0.65 0.00 0.43 -0.02 -1.20 -2.72 135.00 135.58 1ngs n PRO 55 Ca 0.20 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.76 1ngs n PRO 55 Cb 0.47 -1.39 -0.07 0.00 -0.02 0.00 0.00 33.50 32.50 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 -0.89 1.13 -4.69 2.55 8.00 -1.26 -4.80 116.55 116.58 1ngs n ASP 56 Ca 0.12 -1.06 -0.58 0.00 0.71 0.00 0.00 54.79 53.98 1ngs n ASP 56 Cb 0.06 0.82 -0.07 0.00 -0.02 0.00 0.00 41.12 41.90 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 -0.96 1.90 0.13 1.24 -0.00 -1.10 -4.82 117.44 113.83 1ngs n TRP 57 Ca 0.05 0.63 0.06 0.00 -0.00 0.00 0.00 57.50 58.24 1ngs n TRP 57 Cb 0.30 -2.40 0.53 0.00 -0.00 0.00 0.00 31.31 29.74 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 4.83 1.05 -0.72 5.87 6.09 -1.94 -2.81 117.51 129.88 1ngs h ILE 58 Ca -0.47 -0.10 -0.28 0.00 -1.37 0.00 0.00 64.86 62.64 1ngs h ILE 58 Cb 1.33 0.77 -0.17 0.00 0.47 0.00 0.00 36.82 39.22 1ngs h ILE 58 CO 0.92 0.05 0.35 -3.20 -3.07 0.00 0.00 178.15 173.21 1ngs n ASN 59 N -4.50 4.21 -4.78 2.19 5.15 -1.26 -4.94 115.26 111.33 1ngs n ASN 59 Ca -0.00 -3.17 -0.37 0.00 -0.60 0.00 0.00 54.58 50.44 1ngs n ASN 59 Cb 0.08 -0.74 -0.05 0.00 -0.53 0.00 0.00 39.78 38.54 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 -2.73 4.38 0.28 1.20 1.70 -1.06 -4.54 118.95 118.17 1ngs s ARG 60 Ca 0.49 1.49 -0.29 0.00 -0.47 0.00 0.00 55.73 56.94 1ngs s ARG 60 Cb 0.39 -2.72 -0.10 0.00 -0.57 0.00 0.00 34.95 31.95 1ngs s ARG 60 CO 0.11 0.05 1.31 -0.51 -1.08 0.00 0.00 175.30 175.19 1ngs s ASP 61 N -1.48 6.82 -0.04 -2.89 1.01 0.91 -4.68 116.67 116.32 1ngs s ASP 61 Ca 0.53 2.59 -0.00 0.00 0.71 0.00 0.00 52.55 56.38 1ngs s ASP 61 Cb -0.22 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.04 1ngs s ASP 61 CO 0.28 -0.52 0.01 -0.13 0.21 0.00 0.00 175.17 175.02 1ngs s ARG 62 N -1.17 2.90 -0.08 8.23 0.52 -0.18 -4.82 118.95 124.34 1ngs s ARG 62 Ca 0.52 -0.51 0.01 0.00 -0.52 0.00 0.00 55.73 55.23 1ngs s ARG 62 Cb -0.39 -2.74 0.02 0.00 0.52 0.00 0.00 34.95 32.36 1ngs s ARG 62 CO 0.47 0.66 -0.11 0.12 0.02 0.00 0.00 175.30 176.46 1ngs s PHE 63 N -1.01 1.49 -0.11 -0.53 5.36 -1.26 -0.27 117.98 121.65 1ngs s PHE 63 Ca 0.17 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.52 1ngs s PHE 63 Cb -0.11 -1.14 -0.02 0.00 -0.34 0.00 0.00 43.02 41.41 1ngs s PHE 63 CO 0.07 -0.37 -0.14 0.08 -1.46 0.00 0.00 175.22 173.40 1ngs s VAL 64 N 1.02 2.97 -0.92 3.12 1.01 0.71 -4.59 120.40 123.73 1ngs s VAL 64 Ca -0.08 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.07 1ngs s VAL 64 Cb -0.15 -2.23 0.22 0.00 0.00 0.00 0.00 36.38 34.23 1ngs s VAL 64 CO -0.01 0.54 0.92 -0.22 0.00 0.00 0.00 175.10 176.33 1ngs s LEU 65 N 0.18 6.42 0.20 3.92 2.96 -1.26 -1.66 118.68 129.43 1ngs s LEU 65 Ca -0.08 -2.86 -0.11 0.00 -0.22 0.00 0.00 54.13 50.87 1ngs s LEU 65 Cb -0.15 -2.24 0.17 0.00 0.50 0.00 0.00 46.19 44.47 1ngs s LEU 65 CO 0.05 -0.56 1.85 -1.28 -1.32 0.00 0.00 176.35 175.09 1ngs h SER 66 N 7.59 0.72 -0.07 3.68 0.87 -1.51 -3.16 113.55 121.68 1ngs h SER 66 Ca 0.14 -0.00 -0.71 0.00 -1.23 0.00 0.00 61.79 59.99 1ngs h SER 66 Cb 0.99 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 1ngs h SER 66 CO 0.87 0.51 3.04 -0.46 -0.53 0.00 0.00 176.83 180.26 1ngs n ASN 67 N -4.66 3.91 -0.32 6.23 2.04 -1.21 -4.53 115.26 116.73 1ngs n ASN 67 Ca 0.07 -2.84 0.34 0.00 -0.44 0.00 0.00 54.58 51.71 1ngs n ASN 67 Cb 0.07 -1.65 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 10.32 0.13 1.63 4.83 0.00 -1.83 -1.65 103.07 116.50 1ngs h GLY 68 Ca 0.56 -0.02 0.02 0.00 0.00 0.00 0.00 47.33 47.88 1ngs h GLY 68 CO 1.86 -0.02 0.17 1.12 0.00 0.00 0.00 176.54 179.67 1ngs h HIS 69 N 0.04 0.00 -0.08 5.60 2.07 -1.87 -0.52 115.15 120.39 1ngs h HIS 69 Ca 0.56 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.08 1ngs h HIS 69 Cb 2.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.15 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 -2.11 2.70 -0.36 6.11 0.00 -0.62 -4.43 120.51 121.79 1ngs n ALA 70 Ca -0.01 -0.28 0.27 0.00 0.00 0.00 0.00 53.44 53.42 1ngs n ALA 70 Cb 0.25 -1.02 0.53 0.00 0.00 0.00 0.00 19.45 19.21 1ngs n ALA 70 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1ngs h VAL 71 N 0.58 0.31 -0.88 0.00 -1.51 -1.32 0.46 116.25 113.90 1ngs h VAL 71 Ca 0.00 -0.09 0.25 0.00 -1.23 0.00 0.00 66.70 65.63 1ngs h VAL 71 Cb 0.71 0.01 -0.04 0.00 -2.13 0.00 0.00 31.29 29.84 1ngs h VAL 71 CO 0.07 0.05 0.63 0.00 -1.23 0.00 0.00 177.57 177.09 1ngs h ALA 72 N 1.72 2.78 -0.10 5.19 0.00 -1.87 0.31 119.26 127.28 1ngs h ALA 72 Ca 0.72 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.52 1ngs h ALA 72 Cb 1.89 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1ngs h ALA 72 CO -0.47 -1.03 -0.28 1.25 0.00 0.00 0.00 179.25 178.72 1ngs h LEU 73 N 0.03 0.41 -0.45 0.00 5.85 -1.26 -2.15 115.31 117.75 1ngs h LEU 73 Ca 0.42 -0.60 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1ngs h LEU 73 Cb 1.63 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.52 1ngs h LEU 73 CO -0.02 0.94 0.26 0.25 -0.34 0.00 0.00 178.44 179.53 1ngs h LEU 74 N -0.09 0.55 -0.80 2.25 5.85 -0.61 -2.08 115.31 120.38 1ngs h LEU 74 Ca -0.01 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 1ngs h LEU 74 Cb 0.89 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1ngs h LEU 74 CO 0.06 0.46 0.22 1.88 -0.34 0.00 0.00 178.44 180.72 1ngs h TYR 75 N 0.59 1.16 -0.04 1.25 0.05 -0.81 -1.92 116.97 117.26 1ngs h TYR 75 Ca 0.16 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.83 1ngs h TYR 75 Cb 0.02 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.42 1ngs h TYR 75 CO -0.03 0.91 0.01 0.77 -1.05 0.00 0.00 178.16 178.77 1ngs h SER 76 N 1.08 -0.00 -0.66 3.88 0.02 -1.07 -2.23 113.55 114.56 1ngs h SER 76 Ca 0.23 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.24 1ngs h SER 76 Cb 0.30 0.01 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1ngs h SER 76 CO -0.01 0.01 0.38 0.24 -1.14 0.00 0.00 176.83 176.31 1ngs h MET 77 N 0.02 0.70 -0.83 3.45 2.86 -1.18 -0.83 114.93 119.12 1ngs h MET 77 Ca 0.02 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 1ngs h MET 77 Cb 0.01 -0.16 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 1ngs h MET 77 CO -0.02 0.46 0.52 -0.07 1.06 0.00 0.00 176.91 178.86 1ngs h LEU 78 N 0.72 0.85 0.01 1.22 3.38 -1.11 -0.14 115.31 120.24 1ngs h LEU 78 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ngs h LEU 78 Cb 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1ngs h LEU 78 CO -0.15 0.57 -0.00 -0.74 0.09 0.00 0.00 178.44 178.21 1ngs h HIS 79 N 1.00 -0.01 -0.96 1.13 2.76 -0.78 0.60 115.15 118.89 1ngs h HIS 79 Ca 0.34 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.54 1ngs h HIS 79 Cb 0.07 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.98 1ngs h HIS 79 CO -0.03 0.59 0.63 -0.07 -1.30 0.00 0.00 177.93 177.75 1ngs h LEU 80 N -0.62 1.06 -0.40 0.26 3.38 -0.96 -2.36 115.31 115.67 1ngs h LEU 80 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ngs h LEU 80 Cb 0.61 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ngs h LEU 80 CO 0.00 0.74 0.00 0.35 0.09 0.00 0.00 178.44 179.62 1ngs n THR 81 N -4.46 0.05 -0.18 0.22 -2.24 -0.08 -4.81 114.28 102.77 1ngs n THR 81 Ca 0.12 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ngs n THR 81 Cb 0.07 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 0.99 0.89 3.94 3.38 0.00 -0.89 -4.56 105.19 108.94 1ngs n GLY 82 Ca 0.18 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 1.53 -1.32 1.61 1.51 0.20 -4.66 117.35 114.21 1ngs s TYR 83 Ca 0.00 0.21 -0.16 0.00 -1.01 0.00 0.00 57.07 56.11 1ngs s TYR 83 Cb 0.00 -3.99 0.02 0.00 -0.11 0.00 0.00 41.96 37.88 1ngs s TYR 83 CO 0.00 -2.56 2.05 -3.47 -1.11 0.00 0.00 175.55 170.46 1ngs n ASP 84 N -3.66 3.94 -3.44 2.29 2.03 -1.26 -4.73 116.55 111.73 1ngs n ASP 84 Ca 0.16 -2.83 -0.11 0.00 0.52 0.00 0.00 54.79 52.53 1ngs n ASP 84 Cb 0.60 -1.62 -0.09 0.00 -0.72 0.00 0.00 41.12 39.28 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 3.06 -0.54 0.44 -2.67 2.96 -1.26 -4.96 118.68 115.71 1ngs s LEU 85 Ca 0.51 0.30 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1ngs s LEU 85 Cb 0.11 1.01 0.01 0.00 0.50 0.00 0.00 46.19 47.82 1ngs s LEU 85 CO -0.01 -0.29 0.61 -0.94 -1.32 0.00 0.00 176.35 174.41 1ngs s SER 86 N 2.51 5.65 0.45 3.68 1.04 -1.26 -4.35 113.70 121.42 1ngs s SER 86 Ca 0.09 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.45 1ngs s SER 86 Cb -0.15 -0.94 1.01 0.00 0.10 0.00 0.00 66.02 66.04 1ngs s SER 86 CO -0.14 -0.78 2.07 0.40 0.98 0.00 0.00 173.24 175.77 1ngs h ILE 87 N 0.52 1.08 -0.63 -1.02 1.08 -1.98 0.59 117.51 117.14 1ngs h ILE 87 Ca -0.42 -0.22 -0.07 0.00 -0.39 0.00 0.00 64.86 63.75 1ngs h ILE 87 Cb 1.28 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.83 1ngs h ILE 87 CO 0.50 0.09 0.13 -0.08 -0.69 0.00 0.00 178.15 178.09 1ngs h GLU 88 N 0.27 1.02 -0.69 2.37 4.57 -1.98 -1.06 114.58 119.09 1ngs h GLU 88 Ca 0.07 -0.26 -0.01 0.00 -1.18 0.00 0.00 59.36 57.98 1ngs h GLU 88 Cb 0.04 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1ngs h GLU 88 CO -0.01 0.94 0.40 -0.44 -1.18 0.00 0.00 179.01 178.73 1ngs h ASP 89 N 0.94 0.84 0.06 1.04 3.32 -1.29 -1.92 116.42 119.39 1ngs h ASP 89 Ca 0.19 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1ngs h ASP 89 Cb 0.39 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1ngs h ASP 89 CO 0.01 0.66 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.98 1ngs h LEU 90 N 0.94 0.17 0.00 1.55 3.38 -0.88 -2.00 115.31 118.48 1ngs h LEU 90 Ca 0.25 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1ngs h LEU 90 Cb -0.01 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1ngs h LEU 90 CO -0.04 0.34 0.00 0.29 0.09 0.00 0.00 178.44 179.11 1ngs n LYS 91 N -4.29 0.35 -0.63 1.13 5.02 -0.44 -2.29 118.16 117.02 1ngs n LYS 91 Ca -0.01 0.08 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1ngs n LYS 91 Cb 0.26 -1.50 0.18 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.19 1.34 -1.74 1.97 6.02 -0.75 -4.92 117.38 118.11 1ngs n GLN 92 Ca 0.10 -3.03 -0.42 0.00 -0.01 0.00 0.00 57.00 53.64 1ngs n GLN 92 Cb 0.12 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 29.96 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 -0.96 2.72 -1.06 1.08 7.35 -0.97 -1.81 117.46 123.81 1ngs n PHE 93 Ca 0.17 0.40 -0.02 0.00 -0.76 0.00 0.00 57.45 57.24 1ngs n PHE 93 Cb 0.73 -2.52 -0.01 0.00 0.35 0.00 0.00 39.48 38.03 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 1.20 -1.90 -3.50 -4.13 1.74 0.16 -4.74 116.66 105.48 1ngs n ARG 94 Ca 0.05 0.57 -0.38 0.00 -0.77 0.00 0.00 57.85 57.32 1ngs n ARG 94 Cb 0.37 -5.03 -0.06 0.00 -1.02 0.00 0.00 32.46 26.72 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 -2.15 3.92 -0.26 5.56 -1.52 -0.75 -4.86 119.66 119.60 1ngs s GLN 95 Ca 0.00 0.40 -0.34 0.00 -1.95 0.00 0.00 55.36 53.47 1ngs s GLN 95 Cb 0.00 -3.23 -0.11 0.00 -0.22 0.00 0.00 33.01 29.46 1ngs s GLN 95 CO 0.00 0.68 2.08 -0.11 -0.25 0.00 0.00 175.29 177.69 1ngs n LEU 96 N 1.87 2.67 0.00 2.90 7.94 -1.26 -1.35 117.00 129.77 1ngs n LEU 96 Ca -0.14 0.57 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 1ngs n LEU 96 Cb 0.52 -1.33 0.00 0.00 0.53 0.00 0.00 43.42 43.15 1ngs n LEU 96 CO 0.37 -0.53 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 1ngs n GLY 97 N 5.69 0.38 3.72 -3.96 0.00 -1.26 -5.08 105.19 104.68 1ngs n GLY 97 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.54 2.88 0.00 1.61 1.04 -0.46 -4.93 113.70 111.30 1ngs s SER 98 Ca 0.00 1.05 0.21 0.00 0.48 0.00 0.00 55.95 57.69 1ngs s SER 98 Cb 0.00 -1.66 0.54 0.00 0.10 0.00 0.00 66.02 65.00 1ngs s SER 98 CO 0.00 -2.96 1.45 0.54 0.98 0.00 0.00 173.24 173.25 1ngs n ARG 99 N -4.04 2.18 -3.28 4.02 1.74 -1.26 -4.51 116.66 111.50 1ngs n ARG 99 Ca 0.06 -1.79 -0.27 0.00 -0.77 0.00 0.00 57.85 55.08 1ngs n ARG 99 Cb 0.58 -1.45 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 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 0.99 2.48 -1.11 0.55 -2.24 -1.26 -5.03 114.28 108.65 1ngs n THR 100 Ca 0.18 -5.29 -0.30 0.00 -2.27 0.00 0.00 64.05 56.37 1ngs n THR 100 Cb 0.47 -1.89 0.15 0.00 -2.10 0.00 0.00 70.33 66.96 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 -2.73 1.09 0.64 -0.78 0.04 -1.26 0.39 135.00 132.40 1ngs s PRO 101 Ca 0.42 0.89 0.38 0.00 0.04 0.00 0.00 61.00 62.74 1ngs s PRO 101 Cb 0.19 -1.78 2.08 0.00 0.04 0.00 0.00 34.50 35.02 1ngs s PRO 101 CO -0.05 -2.38 2.17 0.78 0.04 0.00 0.00 177.00 177.56 1ngs h GLY 102 N -1.65 0.00 -5.36 0.56 0.00 -1.94 -3.42 103.07 91.26 1ngs h GLY 102 Ca -0.50 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 46.64 1ngs h GLY 102 CO 0.53 0.00 -0.61 0.30 0.00 0.00 0.00 176.54 176.76 1ngs s HIS 103 N -4.08 -0.05 0.26 5.60 3.76 -1.26 -4.81 115.29 114.70 1ngs s HIS 103 Ca -0.04 0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.70 1ngs s HIS 103 Cb 0.11 0.01 -0.13 0.00 1.11 0.00 0.00 32.58 33.68 1ngs s HIS 103 CO 0.35 -0.09 1.49 -0.35 -0.85 0.00 0.00 174.74 175.29 1ngs n PRO 104 N 2.73 2.32 -4.73 8.40 -0.04 -1.25 -4.88 135.00 137.55 1ngs n PRO 104 Ca -0.14 0.83 -0.32 0.00 -0.04 0.00 0.00 63.50 63.83 1ngs n PRO 104 Cb 0.59 -2.54 -0.17 0.00 -0.04 0.00 0.00 33.50 31.34 1ngs n PRO 104 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ngs s GLU 105 N -0.38 2.86 0.17 0.54 2.02 -1.26 -1.89 118.70 120.76 1ngs s GLU 105 Ca 0.67 -0.80 0.01 0.00 0.02 0.00 0.00 54.97 54.86 1ngs s GLU 105 Cb -0.59 -2.30 0.41 0.00 0.10 0.00 0.00 34.13 31.75 1ngs s GLU 105 CO 0.49 0.01 0.85 0.34 0.02 0.00 0.00 175.26 176.97 1ngs n PHE 106 N 3.99 0.34 -0.44 1.61 7.35 -1.25 -1.24 117.46 127.81 1ngs n PHE 106 Ca -0.20 0.65 0.39 0.00 -0.76 0.00 0.00 57.45 57.53 1ngs n PHE 106 Cb 0.52 -0.90 0.73 0.00 0.35 0.00 0.00 39.48 40.17 1ngs n PHE 106 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ngs h GLU 107 N 0.00 0.06 -6.62 -4.13 4.81 -1.88 -3.43 114.58 103.38 1ngs h GLU 107 Ca 0.32 -0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 59.04 1ngs h GLU 107 Cb 0.66 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.00 1ngs h GLU 107 CO -0.51 0.04 0.08 -1.17 -0.73 0.00 0.00 179.01 176.72 1ngs s LEU 108 N -8.53 4.21 0.11 1.64 2.96 -0.38 -5.03 118.68 113.66 1ngs s LEU 108 Ca -0.06 1.31 -0.31 0.00 -0.22 0.00 0.00 54.13 54.86 1ngs s LEU 108 Cb 0.25 -3.80 -0.08 0.00 0.50 0.00 0.00 46.19 43.07 1ngs s LEU 108 CO 0.83 -0.08 1.37 -2.84 -1.32 0.00 0.00 176.35 174.31 1ngs s PRO 109 N -2.47 4.33 0.00 0.98 0.02 -1.26 -2.37 135.00 134.23 1ngs s PRO 109 Ca 0.48 2.05 0.00 0.00 0.02 0.00 0.00 61.00 63.55 1ngs s PRO 109 Cb -0.13 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.13 1ngs s PRO 109 CO 0.19 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.86 1ngs n GLY 110 N 3.42 2.63 3.43 0.52 0.00 -1.26 -4.83 105.19 109.09 1ngs n GLY 110 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.73 4.85 0.01 1.61 1.01 -1.00 -4.98 120.40 119.18 1ngs s VAL 111 Ca 0.00 -0.65 0.19 0.00 0.00 0.00 0.00 61.98 61.53 1ngs s VAL 111 Cb 0.00 -3.64 0.15 0.00 0.00 0.00 0.00 36.38 32.89 1ngs s VAL 111 CO 0.00 -0.17 1.66 -0.33 0.00 0.00 0.00 175.10 176.25 1ngs h GLU 112 N 8.48 0.00 -2.55 2.72 4.39 -1.84 -3.41 114.58 122.37 1ngs h GLU 112 Ca -0.28 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.46 1ngs h GLU 112 Cb 1.12 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.63 1ngs h GLU 112 CO 0.67 0.35 0.35 0.14 -1.16 0.00 0.00 179.01 179.36 1ngs s VAL 113 N -3.37 0.00 0.03 3.13 -7.23 -1.26 -4.90 120.40 106.79 1ngs s VAL 113 Ca 0.02 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.99 1ngs s VAL 113 Cb 0.09 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.97 1ngs s VAL 113 CO 0.69 0.00 0.58 0.42 -0.31 0.00 0.00 175.10 176.48 1ngs s THR 114 N -3.18 4.83 0.20 5.32 -4.23 -1.26 -3.90 115.64 113.42 1ngs s THR 114 Ca 0.02 1.23 0.01 0.00 -1.18 0.00 0.00 61.69 61.77 1ngs s THR 114 Cb -0.01 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.87 1ngs s THR 114 CO -0.09 0.48 0.05 0.42 -0.54 0.00 0.00 174.62 174.94 1ngs s THR 115 N -0.62 0.53 0.00 3.99 -4.23 -0.79 -4.86 115.64 109.66 1ngs s THR 115 Ca 0.30 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1ngs s THR 115 Cb -0.19 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1ngs s THR 115 CO 0.18 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1ngs n GLY 116 N -0.30 0.07 3.68 3.99 0.00 -1.26 -3.95 105.19 107.42 1ngs n GLY 116 Ca -0.04 0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 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 0.52 1.61 0.02 -1.26 -4.72 135.00 135.36 1ngs s PRO 117 Ca 0.00 2.28 -0.21 0.00 0.02 0.00 0.00 61.00 63.09 1ngs s PRO 117 Cb 0.00 -3.71 -0.06 0.00 0.02 0.00 0.00 34.50 30.75 1ngs s PRO 117 CO 0.00 -0.76 1.23 -0.51 -0.33 0.00 0.00 177.00 176.63 1ngs s LEU 118 N 3.03 3.88 0.00 -5.54 1.43 -1.26 -3.37 118.68 116.84 1ngs s LEU 118 Ca 0.74 2.45 0.00 0.00 -1.03 0.00 0.00 54.13 56.29 1ngs s LEU 118 Cb -0.38 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 41.50 1ngs s LEU 118 CO 0.32 -1.27 0.00 0.61 0.23 0.00 0.00 176.35 176.24 1ngs n GLY 119 N 0.52 3.19 0.18 -3.19 0.00 -1.26 -4.92 105.19 99.71 1ngs n GLY 119 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 2.33 0.60 -0.55 1.61 1.08 -1.88 -3.29 115.11 115.02 1ngs h GLN 120 Ca 0.00 -0.55 -0.08 0.00 -1.45 0.00 0.00 58.65 56.57 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 1.17 0.02 0.78 -0.95 0.00 0.00 178.83 179.85 1ngs h GLY 121 N 0.23 1.00 1.10 3.46 0.00 -1.81 -0.76 103.07 106.29 1ngs h GLY 121 Ca -0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 1ngs h GLY 121 CO 0.14 0.63 -0.17 1.19 0.00 0.00 0.00 176.54 178.32 1ngs h ILE 122 N 0.86 1.27 -0.32 2.60 6.09 -1.90 -1.46 117.51 124.65 1ngs h ILE 122 Ca 0.16 -1.33 -0.13 0.00 -1.37 0.00 0.00 64.86 62.19 1ngs h ILE 122 Cb 0.47 1.08 -0.01 0.00 0.47 0.00 0.00 36.82 38.83 1ngs h ILE 122 CO 0.02 0.46 -0.32 0.28 -3.07 0.00 0.00 178.15 175.52 1ngs h SER 123 N 0.86 0.71 -0.39 2.19 0.02 -1.60 -2.55 113.55 112.79 1ngs h SER 123 Ca 0.12 -0.29 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 1ngs h SER 123 Cb 0.75 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1ngs h SER 123 CO 0.06 0.98 0.15 0.78 -1.14 0.00 0.00 176.83 177.66 1ngs h ASN 124 N 0.58 0.54 -0.05 3.07 -0.26 -1.00 -2.02 115.58 116.44 1ngs h ASN 124 Ca 0.06 -0.17 0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1ngs h ASN 124 Cb 0.83 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.95 1ngs h ASN 124 CO 0.07 0.56 0.05 0.00 -1.06 0.00 0.00 177.43 177.05 1ngs h ALA 125 N 0.99 1.73 -0.27 -0.83 0.00 -0.96 -1.18 119.26 118.75 1ngs h ALA 125 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ngs h ALA 125 Cb 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ngs h ALA 125 CO -0.01 -0.08 -0.14 0.28 0.00 0.00 0.00 179.25 179.30 1ngs h VAL 126 N 0.00 1.30 -0.82 0.00 2.07 -0.97 -2.05 116.25 115.78 1ngs h VAL 126 Ca 0.02 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 1ngs h VAL 126 Cb 0.12 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1ngs h VAL 126 CO -0.00 0.39 0.43 1.23 0.02 0.00 0.00 177.57 179.64 1ngs h GLY 127 N 0.30 1.24 1.39 2.17 0.00 -1.03 -1.80 103.07 105.35 1ngs h GLY 127 Ca 0.06 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.82 1ngs h GLY 127 CO 0.04 0.56 0.38 -0.33 0.00 0.00 0.00 176.54 177.20 1ngs h MET 128 N 1.15 0.73 0.01 4.80 2.86 -1.02 -0.12 114.93 123.34 1ngs h MET 128 Ca 0.29 -0.04 -0.19 0.00 -2.06 0.00 0.00 59.70 57.69 1ngs h MET 128 Cb 0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1ngs h MET 128 CO -0.04 0.48 -0.89 0.00 1.06 0.00 0.00 176.91 177.52 1ngs h ALA 129 N 1.65 0.53 -0.14 6.32 0.00 -0.83 -2.19 119.26 124.59 1ngs h ALA 129 Ca 0.22 -0.79 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 1ngs h ALA 129 Cb -0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ngs h ALA 129 CO -0.05 1.05 -0.14 0.52 0.00 0.00 0.00 179.25 180.63 1ngs h MET 130 N 0.02 0.35 -0.79 0.00 2.86 -0.79 -1.38 114.93 115.20 1ngs h MET 130 Ca -0.02 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.44 1ngs h MET 130 Cb 1.56 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.19 1ngs h MET 130 CO 0.12 0.73 0.52 0.00 1.06 0.00 0.00 176.91 179.35 1ngs h ALA 131 N 0.61 1.44 -0.04 6.32 0.00 -1.05 -0.06 119.26 126.48 1ngs h ALA 131 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1ngs h ALA 131 Cb 0.67 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ngs h ALA 131 CO 0.04 0.52 0.00 0.37 0.00 0.00 0.00 179.25 180.18 1ngs h GLN 132 N 1.07 0.06 -1.00 0.00 -0.00 -1.28 -0.55 115.11 113.41 1ngs h GLN 132 Ca 0.29 -0.02 0.13 0.00 -0.00 0.00 0.00 58.65 59.05 1ngs h GLN 132 Cb -0.12 -0.01 -0.09 0.00 0.00 0.00 0.00 27.48 27.26 1ngs h GLN 132 CO -0.06 0.34 0.62 0.00 0.00 0.00 0.00 178.83 179.73 1ngs h ALA 133 N 0.72 1.53 -0.16 3.38 0.00 -0.59 -0.47 119.26 123.67 1ngs h ALA 133 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ngs h ALA 133 Cb 0.31 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ngs h ALA 133 CO 0.00 0.17 -0.13 -0.97 0.00 0.00 0.00 179.25 178.32 1ngs h ASN 134 N 0.94 0.39 0.01 0.00 -0.73 -0.77 -2.49 115.58 112.94 1ngs h ASN 134 Ca 0.51 -0.46 0.01 0.00 1.87 0.00 0.00 56.30 58.23 1ngs h ASN 134 Cb 0.56 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 39.03 1ngs h ASN 134 CO -0.29 0.76 -0.08 0.25 -0.37 0.00 0.00 177.43 177.70 1ngs h LEU 135 N 0.02 -0.23 -0.80 0.34 5.85 -0.27 -1.74 115.31 118.47 1ngs h LEU 135 Ca 0.03 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1ngs h LEU 135 Cb 0.64 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 1ngs h LEU 135 CO 0.03 -0.12 0.51 0.00 -0.34 0.00 0.00 178.44 178.53 1ngs h ALA 136 N 0.82 1.05 0.00 1.25 0.00 -1.17 -1.05 119.26 120.17 1ngs h ALA 136 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ngs h ALA 136 Cb 0.18 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ngs h ALA 136 CO -0.07 0.34 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 1ngs h ALA 137 N 1.33 1.02 0.04 0.00 0.00 -1.11 -1.93 119.26 118.61 1ngs h ALA 137 Ca 0.32 -0.06 -0.34 0.00 0.00 0.00 0.00 54.91 54.83 1ngs h ALA 137 Cb -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1ngs h ALA 137 CO -0.11 0.09 -1.98 2.41 0.00 0.00 0.00 179.25 179.65 1ngs n THR 138 N -3.20 1.62 -0.03 0.00 -1.04 -0.68 -4.71 114.28 106.23 1ngs n THR 138 Ca 0.00 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.05 61.25 1ngs n THR 138 Cb 0.34 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.58 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 -3.16 0.00 -1.70 -1.42 4.01 -0.46 -5.00 117.16 109.42 1ngs n TYR 139 Ca -0.27 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.04 1ngs n TYR 139 Cb 1.06 -0.33 -0.02 0.00 -0.31 0.00 0.00 39.34 39.75 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 -2.18 3.10 -4.11 7.72 3.02 -0.73 -4.89 115.26 117.20 1ngs n ASN 140 Ca -0.10 1.17 -0.12 0.00 -0.03 0.00 0.00 54.58 55.50 1ngs n ASN 140 Cb 0.64 -1.50 -0.11 0.00 -0.61 0.00 0.00 39.78 38.21 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 -1.00 0.66 0.06 3.52 -0.14 -0.76 -4.92 119.74 117.15 1ngs s LYS 141 Ca 0.62 -1.02 -0.30 0.00 -1.36 0.00 0.00 55.97 53.90 1ngs s LYS 141 Cb -0.57 -0.23 -0.09 0.00 -1.68 0.00 0.00 37.83 35.25 1ngs s LYS 141 CO 0.54 0.01 1.89 -1.25 -0.76 0.00 0.00 175.35 175.79 1ngs s PRO 142 N -2.64 4.14 0.00 -1.68 0.04 -1.26 0.04 135.00 133.64 1ngs s PRO 142 Ca 0.00 2.57 0.00 0.00 0.04 0.00 0.00 61.00 63.61 1ngs s PRO 142 Cb -0.03 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ngs s PRO 142 CO -0.02 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.52 1ngs n GLY 143 N 4.40 2.72 2.84 0.56 0.00 -1.26 -5.00 105.19 109.45 1ngs n GLY 143 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.52 2.68 -1.06 1.61 0.40 0.11 -5.01 117.98 114.19 1ngs s PHE 144 Ca 0.00 -2.87 -0.14 0.00 -0.60 0.00 0.00 56.93 53.32 1ngs s PHE 144 Cb 0.00 -2.40 0.19 0.00 0.51 0.00 0.00 43.02 41.33 1ngs s PHE 144 CO 0.00 -0.74 1.17 0.99 0.70 0.00 0.00 175.22 177.34 1ngs s THR 145 N -0.11 5.29 0.09 0.64 2.01 -1.26 -1.84 115.64 120.46 1ngs s THR 145 Ca 0.18 -2.55 0.17 0.00 0.31 0.00 0.00 61.69 59.80 1ngs s THR 145 Cb -0.23 -4.74 0.09 0.00 0.01 0.00 0.00 72.50 67.63 1ngs s THR 145 CO -0.02 -1.39 1.63 -0.07 -0.69 0.00 0.00 174.62 174.08 1ngs h LEU 146 N 8.84 0.00 -7.69 4.42 3.38 -1.91 -3.44 115.31 118.91 1ngs h LEU 146 Ca 0.21 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.73 1ngs h LEU 146 Cb 0.94 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 41.33 1ngs h LEU 146 CO 1.08 0.46 -0.78 -0.55 0.09 0.00 0.00 178.44 178.73 1ngs s SER 147 N -6.47 1.47 0.00 -0.43 0.15 -1.26 -4.74 113.70 102.41 1ngs s SER 147 Ca 0.01 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1ngs s SER 147 Cb 0.10 -0.57 0.00 0.00 -1.71 0.00 0.00 66.02 63.84 1ngs s SER 147 CO 0.71 -0.09 0.39 -0.90 1.20 0.00 0.00 173.24 174.55 1ngs n ASP 148 N 4.49 0.00 -4.74 5.45 5.75 -1.26 -4.71 116.55 121.54 1ngs n ASP 148 Ca -0.17 -0.81 -0.31 0.00 -0.01 0.00 0.00 54.79 53.48 1ngs n ASP 148 Cb 0.51 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.71 1ngs n ASP 148 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1ngs s ASN 149 N 0.00 4.07 0.25 -1.12 4.22 -1.26 -5.05 114.94 116.05 1ngs s ASN 149 Ca 0.00 1.96 0.06 0.00 -2.14 0.00 0.00 52.86 52.74 1ngs s ASN 149 Cb 0.00 -2.54 -0.03 0.00 1.28 0.00 0.00 41.25 39.96 1ngs s ASN 149 CO 0.00 -2.33 0.32 -0.31 -2.04 0.00 0.00 177.10 172.74 1ngs s TYR 150 N -2.76 3.31 -0.26 1.54 2.02 -1.26 -4.98 117.35 114.96 1ngs s TYR 150 Ca 0.64 -0.07 0.02 0.00 -0.37 0.00 0.00 57.07 57.28 1ngs s TYR 150 Cb -0.19 -1.56 0.07 0.00 -0.40 0.00 0.00 41.96 39.87 1ngs s TYR 150 CO 0.55 0.42 -0.04 0.99 -1.57 0.00 0.00 175.55 175.90 1ngs s THR 151 N -2.05 1.74 -0.01 -0.71 2.01 -0.55 -1.01 115.64 115.05 1ngs s THR 151 Ca 0.35 -1.48 -0.04 0.00 0.31 0.00 0.00 61.69 60.83 1ngs s THR 151 Cb -0.09 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.36 1ngs s THR 151 CO 0.28 -0.19 0.21 -0.31 -0.69 0.00 0.00 174.62 173.92 1ngs s TYR 152 N 1.28 3.56 -0.01 4.92 2.02 0.63 -1.13 117.35 128.62 1ngs s TYR 152 Ca -0.03 0.44 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 1ngs s TYR 152 Cb -0.19 -1.89 -0.00 0.00 -0.40 0.00 0.00 41.96 39.48 1ngs s TYR 152 CO -0.07 0.64 0.09 0.08 -1.57 0.00 0.00 175.55 174.71 1ngs s VAL 153 N -1.31 0.06 -0.10 0.71 1.01 -0.35 -0.20 120.40 120.21 1ngs s VAL 153 Ca 0.27 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.78 1ngs s VAL 153 Cb -0.13 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 1ngs s VAL 153 CO 0.17 -0.26 -0.15 -0.36 0.00 0.00 0.00 175.10 174.50 1ngs s PHE 154 N -0.86 2.74 0.06 5.22 0.40 -0.67 -0.34 117.98 124.54 1ngs s PHE 154 Ca -0.09 -0.58 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1ngs s PHE 154 Cb -0.06 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.70 1ngs s PHE 154 CO 0.00 -0.14 0.16 -0.48 0.70 0.00 0.00 175.22 175.46 1ngs s LEU 155 N 0.07 1.56 0.00 -0.37 2.34 -0.68 -1.33 118.68 120.26 1ngs s LEU 155 Ca -0.06 -0.59 0.00 0.00 0.06 0.00 0.00 54.13 53.54 1ngs s LEU 155 Cb -0.15 0.88 0.00 0.00 -0.56 0.00 0.00 46.19 46.36 1ngs s LEU 155 CO 0.05 -0.64 0.01 0.61 -1.06 0.00 0.00 176.35 175.32 1ngs n GLY 156 N 0.26 3.89 0.27 -3.48 0.00 -1.26 -0.31 105.19 104.57 1ngs n GLY 156 Ca -0.16 -2.24 0.01 0.00 0.00 0.00 0.00 46.02 43.62 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 0.28 0.41 -0.50 1.61 5.19 -1.89 -2.68 116.42 118.84 1ngs h ASP 157 Ca -0.10 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1ngs h ASP 157 Cb 0.31 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 1ngs h ASP 157 CO 0.17 0.47 0.29 1.23 -3.12 0.00 0.00 179.24 178.28 1ngs h GLY 158 N 0.75 0.74 1.35 2.75 0.00 -1.95 -1.81 103.07 104.89 1ngs h GLY 158 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1ngs h GLY 158 CO 0.01 0.31 0.23 0.00 0.00 0.00 0.00 176.54 177.08 1ngs n LEU 160 N -4.32 0.52 0.02 0.00 4.77 -0.89 -3.24 117.00 113.86 1ngs n LEU 160 Ca 0.05 0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 56.59 1ngs n LEU 160 Cb 0.17 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 1ngs n LEU 160 CO 0.39 -0.26 -0.35 0.00 -1.33 0.00 0.00 177.39 175.84 1ngs n GLN 161 N -2.02 0.62 -2.43 3.23 6.02 -0.73 -4.89 117.38 117.18 1ngs n GLN 161 Ca 0.05 0.23 -0.42 0.00 -0.01 0.00 0.00 57.00 56.84 1ngs n GLN 161 Cb 0.32 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.76 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 -2.87 4.39 0.53 -1.09 0.41 -1.13 -4.94 118.70 113.99 1ngs s GLU 162 Ca -0.03 1.73 0.31 0.00 -0.41 0.00 0.00 54.97 56.57 1ngs s GLU 162 Cb 0.09 -3.45 1.45 0.00 -1.78 0.00 0.00 34.13 30.43 1ngs s GLU 162 CO 0.81 -0.35 1.88 0.78 -0.49 0.00 0.00 175.26 177.89 1ngs h GLY 163 N 7.49 0.10 1.66 -1.39 0.00 -1.90 -1.75 103.07 107.28 1ngs h GLY 163 Ca -0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1ngs h GLY 163 CO 0.84 -0.00 0.10 1.19 0.00 0.00 0.00 176.54 178.67 1ngs h ILE 164 N 0.04 1.14 0.00 2.60 2.10 -1.91 -1.08 117.51 120.40 1ngs h ILE 164 Ca 0.44 -0.47 -0.12 0.00 1.08 0.00 0.00 64.86 65.80 1ngs h ILE 164 Cb 1.71 0.80 -0.02 0.00 -1.09 0.00 0.00 36.82 38.22 1ngs h ILE 164 CO -0.03 0.17 -0.56 0.77 -1.08 0.00 0.00 178.15 177.43 1ngs h SER 165 N 0.45 0.00 -0.09 2.19 4.64 -1.50 -1.99 113.55 117.24 1ngs h SER 165 Ca 0.11 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.39 1ngs h SER 165 Cb 0.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1ngs h SER 165 CO -0.01 0.56 -0.10 0.28 -0.87 0.00 0.00 176.83 176.69 1ngs h SER 166 N 0.00 0.25 -0.15 4.97 0.02 -1.33 -1.03 113.55 116.28 1ngs h SER 166 Ca -0.01 -0.50 0.05 0.00 -0.84 0.00 0.00 61.79 60.49 1ngs h SER 166 Cb 1.21 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 1ngs h SER 166 CO 0.07 0.70 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.90 1ngs h GLU 167 N -0.20 -0.27 -0.84 3.45 5.08 -1.15 -0.66 114.58 120.00 1ngs h GLU 167 Ca 0.01 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ngs h GLU 167 Cb 0.63 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1ngs h GLU 167 CO 0.03 -0.18 0.48 0.00 -1.00 0.00 0.00 179.01 178.34 1ngs h ALA 168 N 0.70 1.27 -0.05 3.43 0.00 -1.39 -1.83 119.26 121.40 1ngs h ALA 168 Ca 0.11 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ngs h ALA 168 Cb 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ngs h ALA 168 CO -0.31 0.61 -0.54 0.77 0.00 0.00 0.00 179.25 179.78 1ngs h SER 169 N 1.16 0.15 0.13 0.00 0.02 -0.87 0.44 113.55 114.59 1ngs h SER 169 Ca 0.30 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1ngs h SER 169 Cb -0.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1ngs h SER 169 CO -0.05 0.67 -0.06 -1.28 -1.14 0.00 0.00 176.83 174.96 1ngs h SER 170 N 0.11 -0.15 0.04 3.07 0.87 -0.65 -1.72 113.55 115.12 1ngs h SER 170 Ca -0.00 -0.21 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1ngs h SER 170 Cb 1.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1ngs h SER 170 CO 0.08 0.13 -0.02 0.25 -0.53 0.00 0.00 176.83 176.74 1ngs h LEU 171 N -0.44 -0.04 -0.79 2.23 5.85 -1.22 -1.99 115.31 118.91 1ngs h LEU 171 Ca -0.02 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.86 1ngs h LEU 171 Cb 0.35 0.01 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 1ngs h LEU 171 CO 0.03 -0.02 0.27 0.00 -0.34 0.00 0.00 178.44 178.38 1ngs h ALA 172 N 0.90 1.11 -0.28 1.25 0.00 -0.07 0.25 119.26 122.42 1ngs h ALA 172 Ca -0.01 0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1ngs h ALA 172 Cb 0.05 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1ngs h ALA 172 CO 0.01 -0.30 -0.43 0.78 0.00 0.00 0.00 179.25 179.31 1ngs h GLY 173 N 0.36 0.75 1.03 0.00 0.00 -1.11 -2.51 103.07 101.58 1ngs h GLY 173 Ca 0.45 -0.78 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1ngs h GLY 173 CO -0.48 0.70 0.21 0.84 0.00 0.00 0.00 176.54 177.81 1ngs h HIS 174 N 0.56 1.06 0.00 5.60 6.17 -0.25 -2.58 115.15 125.71 1ngs h HIS 174 Ca 0.04 -0.11 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1ngs h HIS 174 Cb 0.97 -0.31 0.00 0.00 2.52 0.00 0.00 27.41 30.59 1ngs h HIS 174 CO 0.05 0.86 0.00 1.28 0.71 0.00 0.00 177.93 180.83 1ngs n LEU 175 N -4.34 0.00 -3.56 0.26 4.77 -0.29 -4.77 117.00 109.06 1ngs n LEU 175 Ca 0.05 0.36 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1ngs n LEU 175 Cb 0.21 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1ngs n LEU 175 CO 0.41 -0.06 0.02 0.29 -1.33 0.00 0.00 177.39 176.72 1ngs n LYS 176 N -1.36 -5.69 -2.09 3.23 5.02 -0.96 -4.45 118.16 111.86 1ngs n LYS 176 Ca 0.10 0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 56.70 1ngs n LYS 176 Cb 0.23 -5.51 -0.00 0.00 -0.02 0.00 0.00 35.03 29.72 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 -4.19 5.89 0.15 -0.35 4.77 -1.13 -4.25 117.00 117.89 1ngs n LEU 177 Ca -0.29 -3.99 0.10 0.00 -0.03 0.00 0.00 56.01 51.80 1ngs n LEU 177 Cb 0.67 -1.69 0.53 0.00 -2.33 0.00 0.00 43.42 40.61 1ngs n LEU 177 CO 0.65 0.60 0.80 0.61 -1.33 0.00 0.00 177.39 178.72 1ngs n GLY 178 N 4.70 -0.85 0.58 -0.72 0.00 -1.12 -1.77 105.19 106.01 1ngs n GLY 178 Ca 0.51 0.18 0.13 0.00 0.00 0.00 0.00 46.02 46.83 1ngs n GLY 178 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ngs n ASN 179 N -2.19 1.78 -4.57 1.61 4.13 -1.26 -4.58 115.26 110.19 1ngs n ASN 179 Ca -0.01 -1.62 -0.40 0.00 1.68 0.00 0.00 54.58 54.23 1ngs n ASN 179 Cb 0.04 -0.03 -0.09 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 -1.90 4.29 -0.16 3.41 2.96 -0.73 -1.48 118.68 125.07 1ngs s LEU 180 Ca 0.36 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 1ngs s LEU 180 Cb 0.20 -2.42 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1ngs s LEU 180 CO 0.32 -0.32 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.23 1ngs s ILE 181 N 2.11 1.75 -0.12 6.68 1.01 -0.28 -1.48 121.20 130.87 1ngs s ILE 181 Ca 0.14 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1ngs s ILE 181 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.68 1ngs s ILE 181 CO 0.11 0.49 -0.14 0.00 0.00 0.00 0.00 174.94 175.40 1ngs s ALA 182 N 1.41 2.57 -0.26 9.38 0.00 -0.11 -1.22 121.76 133.53 1ngs s ALA 182 Ca 0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 1ngs s ALA 182 Cb -0.13 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 21.85 1ngs s ALA 182 CO -0.11 0.28 0.02 0.42 0.00 0.00 0.00 175.76 176.37 1ngs s ILE 183 N 0.24 3.65 -0.25 0.00 1.01 0.54 -0.81 121.20 125.59 1ngs s ILE 183 Ca -0.10 -0.63 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1ngs s ILE 183 Cb -0.16 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1ngs s ILE 183 CO 0.06 0.23 0.27 -0.47 0.00 0.00 0.00 174.94 175.02 1ngs s TYR 184 N 1.48 3.28 -1.06 3.97 5.04 0.01 -1.69 117.35 128.38 1ngs s TYR 184 Ca 0.03 0.32 -0.22 0.00 -2.44 0.00 0.00 57.07 54.76 1ngs s TYR 184 Cb -0.16 -2.43 0.02 0.00 0.35 0.00 0.00 41.96 39.74 1ngs s TYR 184 CO -0.00 -0.09 1.67 0.34 -1.34 0.00 0.00 175.55 176.13 1ngs s ASP 185 N 1.40 6.10 -1.23 4.32 2.15 0.58 -1.71 116.67 128.27 1ngs s ASP 185 Ca 0.11 -1.46 -0.15 0.00 0.43 0.00 0.00 52.55 51.49 1ngs s ASP 185 Cb -0.15 -2.57 0.15 0.00 -0.30 0.00 0.00 42.92 40.04 1ngs s ASP 185 CO 0.08 -1.89 1.51 -0.62 -0.17 0.00 0.00 175.17 174.08 1ngs s ASP 186 N 5.72 7.01 0.00 -0.34 2.15 -0.58 -4.32 116.67 126.32 1ngs s ASP 186 Ca 0.55 -2.85 0.19 0.00 0.43 0.00 0.00 52.55 50.87 1ngs s ASP 186 Cb -0.01 -2.45 0.09 0.00 -0.30 0.00 0.00 42.92 40.25 1ngs s ASP 186 CO -0.02 -0.85 1.04 -0.46 -0.17 0.00 0.00 175.17 174.70 1ngs n ASN 187 N 6.34 2.27 -0.50 -0.34 0.23 -1.26 -2.80 115.26 119.20 1ngs n ASN 187 Ca 0.40 -1.64 -0.07 0.00 -0.53 0.00 0.00 54.58 52.74 1ngs n ASN 187 Cb 0.44 0.20 -0.03 0.00 -2.08 0.00 0.00 39.78 38.30 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 0.61 -0.90 -4.11 -3.83 4.01 -1.26 -4.52 118.16 108.15 1ngs n LYS 188 Ca 0.10 0.64 -0.15 0.00 -0.51 0.00 0.00 58.31 58.39 1ngs n LYS 188 Cb 0.45 -4.54 -0.13 0.00 -0.51 0.00 0.00 35.03 30.30 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 -2.02 0.46 0.27 -0.18 -1.09 -1.26 -2.17 121.20 115.19 1ngs s ILE 189 Ca 0.00 -0.58 0.04 0.00 -2.23 0.00 0.00 60.65 57.88 1ngs s ILE 189 Cb 0.00 -0.45 -0.02 0.00 -1.58 0.00 0.00 42.46 40.41 1ngs s ILE 189 CO 0.00 -0.10 0.26 0.35 -1.23 0.00 0.00 174.94 174.23 1ngs n THR 190 N 2.32 0.00 0.07 2.92 -2.24 -0.31 -4.85 114.28 112.19 1ngs n THR 190 Ca -0.17 -1.79 -0.12 0.00 -2.27 0.00 0.00 64.05 59.70 1ngs n THR 190 Cb 0.57 0.94 -0.05 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.83 0.37 0.00 2.28 2.04 -1.99 -2.62 117.51 119.42 1ngs h ILE 191 Ca -0.19 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1ngs h ILE 191 Cb 0.94 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1ngs h ILE 191 CO 0.27 0.00 -0.03 0.44 0.00 0.00 0.00 178.15 178.84 1ngs h ASP 192 N -0.44 0.00 0.00 1.72 5.19 -1.98 -3.48 116.42 117.43 1ngs h ASP 192 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 1ngs h ASP 192 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1ngs h ASP 192 CO -0.23 0.03 0.00 0.61 -3.12 0.00 0.00 179.24 176.52 1ngs n GLY 193 N -1.24 0.12 3.77 2.75 0.00 -0.99 -5.11 105.19 104.50 1ngs n GLY 193 Ca -0.03 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 2.98 0.28 4.61 0.00 -1.26 -1.16 121.76 126.20 1ngs s ALA 194 Ca 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 1ngs s ALA 194 Cb 0.00 -3.35 0.37 0.00 0.00 0.00 0.00 23.12 20.14 1ngs s ALA 194 CO 0.00 -0.55 1.93 1.79 0.00 0.00 0.00 175.76 178.93 1ngs h THR 195 N 1.89 1.23 0.00 0.00 1.35 -1.75 -2.44 112.91 113.20 1ngs h THR 195 Ca -0.49 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 1ngs h THR 195 Cb 1.24 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1ngs h THR 195 CO 0.60 0.24 0.31 0.77 -0.25 0.00 0.00 175.52 177.19 1ngs h SER 196 N 1.15 0.00 0.85 5.36 4.64 -1.87 0.76 113.55 124.44 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 -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1ngs h SER 196 CO -0.06 0.00 0.00 0.40 -0.87 0.00 0.00 176.83 176.30 1ngs h ILE 197 N 0.00 0.00 0.00 0.95 5.03 -1.83 -3.39 117.51 118.27 1ngs h ILE 197 Ca 0.00 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1ngs h ILE 197 Cb 0.63 1.21 0.00 0.00 -3.03 0.00 0.00 36.82 35.63 1ngs h ILE 197 CO 0.00 0.00 0.00 -1.54 -0.68 0.00 0.00 178.15 175.93 1ngs n SER 198 N -2.64 0.00 -3.36 1.72 3.41 0.49 -5.05 113.62 108.19 1ngs n SER 198 Ca 0.01 -0.65 -0.25 0.00 -0.26 0.00 0.00 58.87 57.72 1ngs n SER 198 Cb 0.26 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.69 -0.16 7.33 5.36 0.23 -4.95 117.98 126.48 1ngs s PHE 199 Ca 0.00 -1.92 0.17 0.00 -0.96 0.00 0.00 56.93 54.22 1ngs s PHE 199 Cb 0.00 -0.78 0.35 0.00 -0.34 0.00 0.00 43.02 42.26 1ngs s PHE 199 CO 0.00 -0.88 1.21 -0.40 -1.46 0.00 0.00 175.22 173.70 1ngs n ASP 200 N 3.22 2.50 -4.76 6.13 5.75 -1.26 -4.07 116.55 124.05 1ngs n ASP 200 Ca 0.24 -3.22 -0.30 0.00 -0.01 0.00 0.00 54.79 51.50 1ngs n ASP 200 Cb 0.46 -0.47 0.11 0.00 -1.03 0.00 0.00 41.12 40.19 1ngs n ASP 200 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1ngs s GLU 201 N -2.94 1.83 -0.80 0.11 -1.05 -1.26 -4.98 118.70 109.61 1ngs s GLU 201 Ca 0.35 0.81 -0.19 0.00 -0.15 0.00 0.00 54.97 55.79 1ngs s GLU 201 Cb 0.31 -1.88 0.13 0.00 -0.44 0.00 0.00 34.13 32.25 1ngs s GLU 201 CO 0.02 -1.84 0.96 0.34 0.95 0.00 0.00 175.26 175.69 1ngs s ASP 202 N -3.63 6.49 0.19 0.83 -1.08 -1.26 -4.88 116.67 113.34 1ngs s ASP 202 Ca 0.62 -1.87 -0.12 0.00 -0.52 0.00 0.00 52.55 50.66 1ngs s ASP 202 Cb -0.16 -2.35 0.12 0.00 -1.46 0.00 0.00 42.92 39.06 1ngs s ASP 202 CO 0.56 -1.05 1.85 0.58 0.52 0.00 0.00 175.17 177.62 1ngs h VAL 203 N 5.70 1.18 -0.36 1.11 2.07 -1.98 -0.91 116.25 123.06 1ngs h VAL 203 Ca -0.01 -0.38 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1ngs h VAL 203 Cb 1.05 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1ngs h VAL 203 CO 1.06 0.18 0.10 0.00 0.02 0.00 0.00 177.57 178.93 1ngs h ALA 204 N 1.22 0.41 -0.11 1.67 0.00 -2.00 0.41 119.26 120.86 1ngs h ALA 204 Ca 0.24 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.07 1ngs h ALA 204 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ngs h ALA 204 CO -0.05 -0.30 -0.54 -0.22 0.00 0.00 0.00 179.25 178.14 1ngs h LYS 205 N 0.24 0.32 -0.39 0.00 3.64 -1.91 -2.51 116.57 115.95 1ngs h LYS 205 Ca 0.17 -0.20 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1ngs h LYS 205 Cb 0.17 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1ngs h LYS 205 CO -0.20 0.78 -0.25 -0.09 -2.27 0.00 0.00 179.45 177.42 1ngs h ARG 206 N 0.25 0.81 -0.02 1.90 2.43 -0.62 -2.77 114.38 116.36 1ngs h ARG 206 Ca 0.00 -0.35 -0.13 0.00 -0.81 0.00 0.00 59.98 58.69 1ngs h ARG 206 Cb 1.03 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1ngs h ARG 206 CO 0.09 0.98 -0.60 1.88 -1.51 0.00 0.00 179.97 180.80 1ngs h TYR 207 N 0.70 0.08 -0.12 2.20 -1.99 -0.77 -2.91 116.97 114.17 1ngs h TYR 207 Ca 0.09 -0.03 -0.12 0.00 2.00 0.00 0.00 58.73 60.67 1ngs h TYR 207 Cb 0.78 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.49 1ngs h TYR 207 CO 0.04 0.65 -0.44 0.93 -0.00 0.00 0.00 178.16 179.34 1ngs h GLU 208 N 0.04 0.27 0.00 4.88 5.08 -1.39 -2.03 114.58 121.44 1ngs h GLU 208 Ca -0.01 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1ngs h GLU 208 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ngs h GLU 208 CO 0.08 0.67 -0.14 0.00 -1.00 0.00 0.00 179.01 178.61 1ngs h ALA 209 N 1.32 1.31 0.00 3.43 0.00 -1.29 -1.40 119.26 122.63 1ngs h ALA 209 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ngs h ALA 209 Cb 0.87 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ngs h ALA 209 CO 0.07 0.18 -0.07 1.88 0.00 0.00 0.00 179.25 181.31 1ngs h TYR 210 N 0.00 0.00 0.00 0.00 0.05 -1.33 -3.47 116.97 112.22 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 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1ngs h TYR 210 CO 0.00 0.07 0.00 0.41 -1.05 0.00 0.00 178.16 177.59 1ngs n GLY 211 N 1.10 1.20 3.90 3.88 0.00 -0.53 -4.05 105.19 110.69 1ngs n GLY 211 Ca 0.04 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 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 3.52 -0.13 1.61 0.52 -0.92 -4.53 118.94 117.01 1ngs s TRP 212 Ca 0.00 0.93 -0.06 0.00 0.02 0.00 0.00 56.10 56.99 1ngs s TRP 212 Cb 0.00 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.75 1ngs s TRP 212 CO 0.00 -0.53 0.08 -2.00 0.02 0.00 0.00 176.95 174.52 1ngs s GLU 213 N -4.94 3.48 -0.11 4.98 2.12 -0.25 -4.21 118.70 119.78 1ngs s GLU 213 Ca 0.51 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.61 1ngs s GLU 213 Cb -0.11 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.19 1ngs s GLU 213 CO 0.48 0.62 -0.20 0.08 -0.54 0.00 0.00 175.26 175.70 1ngs s VAL 214 N -0.60 1.80 0.26 3.70 1.01 -1.26 -0.25 120.40 125.06 1ngs s VAL 214 Ca 0.12 -0.84 0.10 0.00 0.00 0.00 0.00 61.98 61.36 1ngs s VAL 214 Cb -0.12 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.63 1ngs s VAL 214 CO 0.02 0.50 -0.09 -0.76 0.00 0.00 0.00 175.10 174.77 1ngs s LEU 215 N 0.65 2.93 0.07 3.92 1.43 0.09 -4.98 118.68 122.80 1ngs s LEU 215 Ca -0.13 -0.79 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 1ngs s LEU 215 Cb -0.16 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 1ngs s LEU 215 CO 0.03 0.03 -0.15 -0.31 0.23 0.00 0.00 176.35 176.17 1ngs s TYR 216 N -2.33 1.32 -0.22 0.29 1.51 -1.26 -0.73 117.35 115.93 1ngs s TYR 216 Ca 0.30 -0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 55.90 1ngs s TYR 216 Cb -0.06 -0.74 0.06 0.00 -0.11 0.00 0.00 41.96 41.11 1ngs s TYR 216 CO 0.17 0.08 0.01 0.08 -1.11 0.00 0.00 175.55 174.79 1ngs s VAL 217 N -1.22 0.86 0.16 0.71 1.01 -0.74 -4.92 120.40 116.26 1ngs s VAL 217 Ca -0.00 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.21 1ngs s VAL 217 Cb -0.10 -1.32 -0.16 0.00 0.00 0.00 0.00 36.38 34.81 1ngs s VAL 217 CO 0.03 -0.22 1.37 1.05 0.00 0.00 0.00 175.10 177.32 1ngs h GLU 218 N 8.14 0.06 -2.54 2.72 4.11 -1.88 -1.30 114.58 123.90 1ngs h GLU 218 Ca -0.16 -0.08 -0.67 0.00 0.07 0.00 0.00 59.36 58.52 1ngs h GLU 218 Cb 1.10 0.03 -0.38 0.00 0.50 0.00 0.00 28.75 30.00 1ngs h GLU 218 CO 0.37 0.92 -0.19 -1.71 0.07 0.00 0.00 179.01 178.47 1ngs n ASN 219 N -3.53 4.46 0.06 3.06 2.85 -1.26 -4.41 115.26 116.48 1ngs n ASN 219 Ca -0.02 -3.40 0.09 0.00 -0.11 0.00 0.00 54.58 51.14 1ngs n ASN 219 Cb 0.84 -0.87 0.37 0.00 1.24 0.00 0.00 39.78 41.37 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 1.17 -1.07 0.18 8.20 0.00 0.33 -0.70 105.19 113.30 1ngs n GLY 220 Ca 0.28 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.00 1.61 2.35 -1.86 -3.42 115.58 114.26 1ngs h ASN 221 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ngs h ASN 221 Cb 0.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1ngs h ASN 221 CO 0.00 0.34 0.00 -0.62 -1.65 0.00 0.00 177.43 175.50 1ngs n GLU 222 N -3.29 2.41 -2.12 0.81 1.02 -1.00 -4.91 120.64 113.56 1ngs n GLU 222 Ca 0.01 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.74 1ngs n GLU 222 Cb 0.59 -0.20 -0.01 0.00 -0.02 0.00 0.00 31.44 31.80 1ngs n GLU 222 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ngs n ASP 223 N 0.00 4.18 -0.33 1.62 2.03 0.12 -4.78 116.55 119.39 1ngs n ASP 223 Ca 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 54.79 52.42 1ngs n ASP 223 Cb 0.00 -1.67 0.09 0.00 -0.72 0.00 0.00 41.12 38.82 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 12.35 1.10 -0.88 -2.67 3.38 -1.94 -1.04 115.31 125.60 1ngs h LEU 224 Ca 0.46 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 58.24 1ngs h LEU 224 Cb 0.78 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1ngs h LEU 224 CO 1.62 0.87 -0.47 0.00 0.09 0.00 0.00 178.44 180.55 1ngs h ALA 225 N 1.27 1.01 -0.19 1.53 0.00 -1.99 -1.02 119.26 119.88 1ngs h ALA 225 Ca 0.32 -0.43 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1ngs h ALA 225 Cb 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1ngs h ALA 225 CO -0.05 0.59 -0.38 0.78 0.00 0.00 0.00 179.25 180.19 1ngs h GLY 226 N 1.92 0.65 1.01 0.00 0.00 -1.70 -0.92 103.07 104.03 1ngs h GLY 226 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 1ngs h GLY 226 CO 0.06 0.69 0.27 -2.22 0.00 0.00 0.00 176.54 175.34 1ngs h ILE 227 N 0.26 1.24 -0.88 2.60 2.04 -1.08 -1.56 117.51 120.12 1ngs h ILE 227 Ca 0.01 -0.72 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1ngs h ILE 227 Cb 0.98 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 37.50 1ngs h ILE 227 CO 0.08 0.29 0.58 0.00 0.00 0.00 0.00 178.15 179.10 1ngs h ALA 228 N 1.12 1.39 -0.14 1.87 0.00 -1.03 -1.26 119.26 121.20 1ngs h ALA 228 Ca 0.22 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.88 1ngs h ALA 228 Cb 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1ngs h ALA 228 CO -0.02 0.56 -0.69 -0.22 0.00 0.00 0.00 179.25 178.88 1ngs h LYS 229 N 1.17 0.60 -0.44 0.00 3.64 -0.73 -1.91 116.57 118.89 1ngs h LYS 229 Ca 0.33 -0.45 -0.13 0.00 -1.27 0.00 0.00 60.65 59.13 1ngs h LYS 229 Cb -0.10 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1ngs h LYS 229 CO -0.08 1.07 -0.23 0.00 -2.27 0.00 0.00 179.45 177.94 1ngs h ALA 230 N 0.81 0.76 -0.36 5.00 0.00 -0.84 0.27 119.26 124.89 1ngs h ALA 230 Ca -0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1ngs h ALA 230 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ngs h ALA 230 CO 0.13 0.66 -0.24 0.82 0.00 0.00 0.00 179.25 180.62 1ngs h ILE 231 N 0.78 1.28 -0.24 0.00 2.04 -1.20 -1.40 117.51 118.77 1ngs h ILE 231 Ca 0.10 -1.39 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1ngs h ILE 231 Cb 0.79 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.24 1ngs h ILE 231 CO 0.07 0.46 0.14 0.00 0.00 0.00 0.00 178.15 178.82 1ngs h ALA 232 N 0.78 0.31 -0.38 1.87 0.00 -1.10 -1.79 119.26 118.94 1ngs h ALA 232 Ca 0.07 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1ngs h ALA 232 Cb 0.81 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1ngs h ALA 232 CO 0.07 -0.18 -0.05 0.37 0.00 0.00 0.00 179.25 179.45 1ngs h GLN 233 N 0.30 0.63 -0.94 0.00 4.15 -0.94 -2.13 115.11 116.16 1ngs h GLN 233 Ca 0.09 -0.17 0.06 0.00 0.77 0.00 0.00 58.65 59.40 1ngs h GLN 233 Cb 0.03 -0.07 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 1ngs h GLN 233 CO -0.02 0.69 0.61 0.00 -1.93 0.00 0.00 178.83 178.19 1ngs h ALA 234 N 1.36 1.46 0.00 3.38 0.00 -0.73 -1.02 119.26 123.70 1ngs h ALA 234 Ca 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1ngs h ALA 234 Cb 0.45 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ngs h ALA 234 CO 0.02 0.40 0.00 1.63 0.00 0.00 0.00 179.25 181.30 1ngs n LYS 235 N -4.49 0.14 0.12 0.00 5.02 -0.72 -2.11 118.16 116.13 1ngs n LYS 235 Ca 0.14 0.36 0.04 0.00 -2.02 0.00 0.00 58.31 56.83 1ngs n LYS 235 Cb 0.18 -1.76 0.02 0.00 -0.02 0.00 0.00 35.03 33.46 1ngs n LYS 235 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1ngs h LEU 236 N 0.00 0.00 -7.35 -0.35 3.38 -1.17 -3.41 115.31 106.41 1ngs h LEU 236 Ca 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.57 1ngs h LEU 236 Cb 0.34 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.18 1ngs h LEU 236 CO 0.00 0.41 0.97 -1.54 0.09 0.00 0.00 178.44 178.38 1ngs n SER 237 N -3.09 1.26 -0.16 -0.43 3.41 -0.89 -4.77 113.62 108.94 1ngs n SER 237 Ca -0.00 -2.51 -0.10 0.00 -0.26 0.00 0.00 58.87 55.99 1ngs n SER 237 Cb 0.72 -0.97 -0.00 0.00 -0.26 0.00 0.00 64.21 63.69 1ngs n SER 237 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1ngs h LYS 238 N 10.41 0.85 -0.55 4.33 5.09 -1.81 -3.27 116.57 131.63 1ngs h LYS 238 Ca 0.18 -0.29 0.00 0.00 0.09 0.00 0.00 60.65 60.63 1ngs h LYS 238 Cb 0.80 -0.07 0.00 0.00 0.10 0.00 0.00 32.23 33.07 1ngs h LYS 238 CO 1.68 0.92 0.00 -0.40 -2.09 0.00 0.00 179.45 179.56 1ngs n ASP 239 N -4.32 4.79 -3.76 7.07 5.75 -1.26 -2.78 116.55 122.04 1ngs n ASP 239 Ca 0.00 -2.64 -0.14 0.00 -0.01 0.00 0.00 54.79 52.00 1ngs n ASP 239 Cb 0.34 -0.58 -0.15 0.00 -1.03 0.00 0.00 41.12 39.70 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 -2.19 0.05 0.51 0.11 1.02 -1.23 -4.61 119.74 113.40 1ngs s LYS 240 Ca 0.49 0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.59 1ngs s LYS 240 Cb 0.34 -0.19 -0.07 0.00 -0.52 0.00 0.00 37.83 37.39 1ngs s LYS 240 CO 0.19 -0.16 1.04 -1.25 -0.92 0.00 0.00 175.35 174.26 1ngs s PRO 241 N 1.07 3.69 -0.06 -1.68 0.04 -1.24 -3.86 135.00 132.96 1ngs s PRO 241 Ca -0.09 1.33 0.02 0.00 0.04 0.00 0.00 61.00 62.31 1ngs s PRO 241 Cb -0.11 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.32 1ngs s PRO 241 CO -0.05 -0.52 -0.12 0.99 0.04 0.00 0.00 177.00 177.35 1ngs s THR 242 N -2.08 3.29 -0.12 1.26 2.01 -0.55 -1.09 115.64 118.36 1ngs s THR 242 Ca 0.67 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 62.05 1ngs s THR 242 Cb -0.16 -2.32 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 1ngs s THR 242 CO 0.24 0.59 -0.17 -0.22 -0.69 0.00 0.00 174.62 174.37 1ngs s LEU 243 N -0.65 2.51 -0.34 4.42 2.96 0.65 -0.94 118.68 127.28 1ngs s LEU 243 Ca 0.10 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1ngs s LEU 243 Cb -0.11 -1.55 0.07 0.00 0.50 0.00 0.00 46.19 45.10 1ngs s LEU 243 CO 0.01 0.16 0.08 -0.63 -1.32 0.00 0.00 176.35 174.65 1ngs s ILE 244 N 0.38 3.11 -0.82 6.68 1.01 0.01 -0.73 121.20 130.84 1ngs s ILE 244 Ca -0.13 -1.64 -0.24 0.00 0.00 0.00 0.00 60.65 58.63 1ngs s ILE 244 Cb -0.17 -2.93 0.05 0.00 0.01 0.00 0.00 42.46 39.43 1ngs s ILE 244 CO 0.06 -0.34 1.25 -0.75 0.00 0.00 0.00 174.94 175.16 1ngs s LYS 245 N 1.21 3.33 -0.32 2.79 2.20 0.09 -0.81 119.74 128.23 1ngs s LYS 245 Ca 0.00 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 1ngs s LYS 245 Cb -0.21 -4.60 -0.02 0.00 -1.51 0.00 0.00 37.83 31.49 1ngs s LYS 245 CO -0.02 -2.06 0.21 1.41 -0.36 0.00 0.00 175.35 174.52 1ngs s MET 246 N 4.87 3.58 0.04 4.03 -2.45 -0.70 -1.78 119.30 126.89 1ngs s MET 246 Ca 0.35 -0.57 -0.28 0.00 -1.25 0.00 0.00 55.69 53.94 1ngs s MET 246 Cb -0.07 -3.71 -0.05 0.00 1.25 0.00 0.00 34.83 32.25 1ngs s MET 246 CO 0.04 -0.37 0.89 0.99 1.05 0.00 0.00 175.02 177.63 1ngs s THR 247 N 1.71 4.74 0.34 10.11 2.01 -0.49 -1.52 115.64 132.54 1ngs s THR 247 Ca 0.06 1.89 0.07 0.00 0.31 0.00 0.00 61.69 64.02 1ngs s THR 247 Cb -0.17 -4.24 -0.03 0.00 0.01 0.00 0.00 72.50 68.08 1ngs s THR 247 CO 0.10 0.27 0.31 0.35 -0.69 0.00 0.00 174.62 174.96 1ngs n THR 248 N 3.27 0.00 -4.11 -0.82 -2.24 -1.12 -0.51 114.28 108.75 1ngs n THR 248 Ca 0.02 -2.43 -0.33 0.00 -2.27 0.00 0.00 64.05 59.04 1ngs n THR 248 Cb 0.50 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.81 1ngs n THR 248 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ngs s THR 249 N -3.33 2.11 0.20 4.28 2.01 -1.26 -4.25 115.64 115.40 1ngs s THR 249 Ca 0.40 -1.03 -0.33 0.00 0.31 0.00 0.00 61.69 61.04 1ngs s THR 249 Cb 0.02 -1.94 -0.13 0.00 0.01 0.00 0.00 72.50 70.46 1ngs s THR 249 CO 0.28 0.45 1.65 0.00 -0.69 0.00 0.00 174.62 176.31 1ngs n ILE 250 N 4.60 0.10 -1.51 1.82 3.06 -1.26 -2.17 119.36 124.00 1ngs n ILE 250 Ca -0.20 -0.03 -0.09 0.00 -2.50 0.00 0.00 62.75 59.94 1ngs n ILE 250 Cb 0.49 -1.79 -0.03 0.00 0.54 0.00 0.00 39.64 38.85 1ngs n ILE 250 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1ngs n GLY 251 N 3.57 0.76 3.62 4.50 0.00 -0.72 -0.19 105.19 116.72 1ngs n GLY 251 Ca 0.16 -0.61 -0.62 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.10 1.23 0.00 1.61 9.36 -0.92 -0.48 117.16 124.86 1ngs n TYR 252 Ca -0.09 1.04 0.00 0.00 3.32 0.00 0.00 57.90 62.17 1ngs n TYR 252 Cb 0.37 -2.18 0.00 0.00 -0.63 0.00 0.00 39.34 36.89 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 2.74 2.85 3.76 2.98 0.00 -1.26 -4.83 105.19 111.44 1ngs n GLY 253 Ca 0.25 -0.01 -0.32 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 0.87 4.72 0.48 1.61 0.15 0.37 -4.66 113.70 117.25 1ngs s SER 254 Ca 0.00 1.94 0.26 0.00 0.70 0.00 0.00 55.95 58.85 1ngs s SER 254 Cb 0.00 -2.54 1.20 0.00 -1.71 0.00 0.00 66.02 62.97 1ngs s SER 254 CO 0.00 -1.89 1.95 0.25 1.20 0.00 0.00 173.24 174.76 1ngs h LEU 255 N -0.56 0.00 -3.70 3.45 5.85 -1.86 -2.95 115.31 115.54 1ngs h LEU 255 Ca -0.45 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 57.77 1ngs h LEU 255 Cb 1.24 0.00 -0.36 0.00 0.37 0.00 0.00 40.66 41.91 1ngs h LEU 255 CO 0.52 0.17 -0.53 1.41 -0.34 0.00 0.00 178.44 179.68 1ngs n HIS 256 N -3.52 2.50 -2.12 1.25 8.25 -1.26 -5.05 115.22 115.27 1ngs n HIS 256 Ca -0.01 -2.24 -0.41 0.00 -0.26 0.00 0.00 57.72 54.80 1ngs n HIS 256 Cb 0.33 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.92 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 -3.58 3.58 0.00 -1.41 0.00 -1.12 -2.52 121.76 116.70 1ngs s ALA 257 Ca 0.51 1.21 0.00 0.00 0.00 0.00 0.00 51.96 53.68 1ngs s ALA 257 Cb 0.42 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1ngs s ALA 257 CO 0.02 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.56 1ngs n GLY 258 N 2.32 0.97 3.88 0.00 0.00 0.74 -4.98 105.19 108.13 1ngs n GLY 258 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.92 6.15 0.00 1.61 0.15 -1.05 -4.92 113.70 112.72 1ngs s SER 259 Ca 0.00 0.20 0.23 0.00 0.70 0.00 0.00 55.95 57.09 1ngs s SER 259 Cb 0.00 -1.84 1.24 0.00 -1.71 0.00 0.00 66.02 63.71 1ngs s SER 259 CO 0.00 0.18 1.77 0.00 1.20 0.00 0.00 173.24 176.39 1ngs n HIS 260 N 0.37 0.00 0.24 3.44 1.44 -1.26 -2.56 115.22 116.89 1ngs n HIS 260 Ca -0.06 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.77 1ngs n HIS 260 Cb 0.51 -0.21 0.52 0.00 0.12 0.00 0.00 29.99 30.93 1ngs n HIS 260 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 1ngs h SER 261 N 0.00 0.00 -0.27 4.39 4.64 -1.94 -2.37 113.55 118.01 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 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1ngs h SER 261 CO 0.00 0.15 0.00 0.52 -0.87 0.00 0.00 176.83 176.63 1ngs n VAL 262 N -3.29 0.35 0.19 0.95 0.31 -1.06 -4.32 118.33 111.46 1ngs n VAL 262 Ca 0.00 -0.47 -0.11 0.00 -0.01 0.00 0.00 64.34 63.75 1ngs n VAL 262 Cb 0.39 0.46 -0.06 0.00 -0.91 0.00 0.00 33.84 33.72 1ngs n VAL 262 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 1ngs h HIS 263 N 2.69 -0.50 -0.61 3.52 -0.00 -1.60 -0.63 115.15 118.01 1ngs h HIS 263 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 60.37 59.97 1ngs h HIS 263 Cb 0.60 0.17 -0.41 0.00 -0.00 0.00 0.00 27.41 27.76 1ngs h HIS 263 CO 0.17 -0.20 -0.98 0.41 -0.00 0.00 0.00 177.93 177.33 1ngs n GLY 264 N 0.02 3.87 2.93 5.26 0.00 -1.26 -3.96 105.19 112.05 1ngs n GLY 264 Ca -0.09 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.69 -0.00 0.31 4.61 0.00 -0.90 -4.47 121.76 117.62 1ngs s ALA 265 Ca 0.38 -0.17 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1ngs s ALA 265 Cb 0.37 0.03 -0.11 0.00 0.00 0.00 0.00 23.12 23.41 1ngs s ALA 265 CO -0.01 -0.07 1.48 -2.14 0.00 0.00 0.00 175.76 175.03 1ngs s PRO 266 N -0.53 4.20 0.65 0.00 0.02 -1.26 -4.43 135.00 133.65 1ngs s PRO 266 Ca -0.06 2.44 -0.18 0.00 0.02 0.00 0.00 61.00 63.22 1ngs s PRO 266 Cb -0.04 -3.04 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 1ngs s PRO 266 CO -0.00 -0.48 1.30 1.28 -0.33 0.00 0.00 177.00 178.76 1ngs n LEU 267 N 1.62 6.06 -4.77 -5.54 4.77 -1.26 -4.94 117.00 112.94 1ngs n LEU 267 Ca 0.05 0.83 -0.40 0.00 -0.03 0.00 0.00 56.01 56.46 1ngs n LEU 267 Cb 0.39 -1.56 -0.02 0.00 -2.33 0.00 0.00 43.42 39.90 1ngs n LEU 267 CO 0.62 -0.97 0.94 -0.54 -1.33 0.00 0.00 177.39 176.11 1ngs s LYS 268 N -3.36 4.36 0.29 3.23 -0.14 -1.26 -4.80 119.74 118.06 1ngs s LYS 268 Ca 0.83 2.13 -0.01 0.00 -1.36 0.00 0.00 55.97 57.55 1ngs s LYS 268 Cb -0.38 -3.05 0.67 0.00 -1.68 0.00 0.00 37.83 33.39 1ngs s LYS 268 CO 0.40 -0.15 1.59 0.00 -0.76 0.00 0.00 175.35 176.44 1ngs h ALA 269 N 3.37 1.07 -0.10 5.17 0.00 -1.99 0.33 119.26 127.10 1ngs h ALA 269 Ca -0.49 0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 1ngs h ALA 269 Cb 1.23 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1ngs h ALA 269 CO 0.65 -0.52 -0.43 -0.44 0.00 0.00 0.00 179.25 178.51 1ngs h ASP 270 N 0.04 0.24 -0.66 0.00 5.19 -2.00 -1.55 116.42 117.69 1ngs h ASP 270 Ca 0.55 -0.10 -0.08 0.00 -0.62 0.00 0.00 57.03 56.78 1ngs h ASP 270 Cb 1.09 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.51 1ngs h ASP 270 CO -0.85 0.65 0.11 -0.78 -3.12 0.00 0.00 179.24 175.25 1ngs h ASP 271 N 0.19 1.05 -0.59 6.45 3.58 -0.77 -1.58 116.42 124.76 1ngs h ASP 271 Ca 0.01 -0.25 -0.07 0.00 0.42 0.00 0.00 57.03 57.15 1ngs h ASP 271 Cb 0.85 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 1ngs h ASP 271 CO 0.07 1.04 0.10 0.58 -2.88 0.00 0.00 179.24 178.14 1ngs h VAL 272 N 1.03 1.26 -0.16 2.25 2.07 -0.74 -1.98 116.25 119.98 1ngs h VAL 272 Ca 0.20 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1ngs h VAL 272 Cb 0.43 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1ngs h VAL 272 CO 0.01 0.36 0.08 0.11 0.02 0.00 0.00 177.57 178.16 1ngs h LYS 273 N 0.87 0.23 -0.23 1.57 1.57 -0.91 -0.96 116.57 118.71 1ngs h LYS 273 Ca 0.18 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1ngs h LYS 273 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1ngs h LYS 273 CO 0.01 0.26 -0.05 -0.56 -0.57 0.00 0.00 179.45 178.54 1ngs h GLN 274 N 0.15 0.35 0.14 3.15 -0.00 -1.19 -1.21 115.11 116.50 1ngs h GLN 274 Ca 0.06 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.65 58.63 1ngs h GLN 274 Cb 0.10 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.53 1ngs h GLN 274 CO -0.01 0.42 -0.07 1.25 -0.00 0.00 0.00 178.83 180.43 1ngs h LEU 275 N 0.34 -0.16 0.00 0.06 6.46 -0.92 0.14 115.31 121.23 1ngs h LEU 275 Ca 0.07 -0.22 0.03 0.00 -0.12 0.00 0.00 57.88 57.64 1ngs h LEU 275 Cb 0.31 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 1ngs h LEU 275 CO 0.01 0.14 -0.25 0.11 -0.62 0.00 0.00 178.44 177.84 1ngs h LYS 276 N -0.47 -0.37 -0.21 1.25 1.57 -0.82 -1.33 116.57 116.19 1ngs h LYS 276 Ca -0.02 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1ngs h LYS 276 Cb 0.37 0.08 -0.06 0.00 0.08 0.00 0.00 32.23 32.70 1ngs h LYS 276 CO 0.03 -0.25 -0.21 0.77 -0.57 0.00 0.00 179.45 179.22 1ngs h SER 277 N -0.38 -0.67 -0.97 0.86 0.02 -1.08 0.24 113.55 111.57 1ngs h SER 277 Ca 0.06 0.12 0.20 0.00 -0.84 0.00 0.00 61.79 61.34 1ngs h SER 277 Cb 0.47 0.32 -0.11 0.00 0.14 0.00 0.00 62.40 63.21 1ngs h SER 277 CO -0.22 -0.25 0.56 0.50 -1.14 0.00 0.00 176.83 176.28 1ngs h LYS 278 N -0.23 0.64 -0.08 3.45 3.64 -0.56 0.30 116.57 123.73 1ngs h LYS 278 Ca 0.13 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1ngs h LYS 278 Cb 0.42 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1ngs h LYS 278 CO -0.34 0.42 0.00 1.19 -2.27 0.00 0.00 179.45 178.45 1ngs n PHE 279 N -4.85 0.10 -1.00 1.91 3.72 -0.36 -4.90 117.46 112.08 1ngs n PHE 279 Ca 0.24 -0.05 -0.00 0.00 -0.05 0.00 0.00 57.45 57.58 1ngs n PHE 279 Cb 0.62 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.15 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 0.95 0.40 3.79 1.37 0.00 0.11 -5.02 105.19 106.78 1ngs n GLY 280 Ca 0.15 -0.97 -0.28 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 3.18 -0.30 1.61 0.40 0.72 -4.96 117.98 116.63 1ngs s PHE 281 Ca 0.00 0.03 -0.29 0.00 -0.60 0.00 0.00 56.93 56.07 1ngs s PHE 281 Cb 0.00 -1.57 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1ngs s PHE 281 CO 0.00 0.52 1.50 1.21 0.70 0.00 0.00 175.22 179.15 1ngs s ASN 282 N -2.76 6.41 0.19 1.36 3.84 -1.26 -2.85 114.94 119.87 1ngs s ASN 282 Ca 0.30 1.30 0.11 0.00 0.21 0.00 0.00 52.86 54.78 1ngs s ASN 282 Cb -0.11 -2.54 0.59 0.00 -0.55 0.00 0.00 41.25 38.64 1ngs s ASN 282 CO 0.23 -1.29 1.27 -0.81 -2.79 0.00 0.00 177.10 173.72 1ngs n PRO 283 N 7.72 0.07 0.00 0.43 -0.04 -1.26 -1.79 135.00 140.13 1ngs n PRO 283 Ca 0.17 0.53 0.11 0.00 -0.04 0.00 0.00 63.50 64.28 1ngs n PRO 283 Cb 0.46 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.87 1.67 -4.56 3.54 8.00 -1.26 -4.69 116.55 117.38 1ngs n ASP 284 Ca -0.01 -1.31 -0.28 0.00 0.71 0.00 0.00 54.79 53.89 1ngs n ASP 284 Cb 0.12 0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.62 2.04 0.08 -1.24 1.02 -0.74 -5.13 119.74 113.15 1ngs s LYS 285 Ca 0.16 -1.15 0.05 0.00 0.02 0.00 0.00 55.97 55.05 1ngs s LYS 285 Cb 0.18 -2.21 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 1ngs s LYS 285 CO 0.64 0.47 -0.14 -1.54 -0.92 0.00 0.00 175.35 173.87 1ngs s SER 286 N -2.46 1.75 -1.15 2.83 1.04 -1.26 -4.81 113.70 109.63 1ngs s SER 286 Ca 0.22 -0.67 -0.02 0.00 0.48 0.00 0.00 55.95 55.96 1ngs s SER 286 Cb -0.10 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1ngs s SER 286 CO 0.14 -0.10 0.98 0.49 0.98 0.00 0.00 173.24 175.73 1ngs n PHE 287 N 1.09 -2.21 -3.53 5.02 3.01 -1.26 -4.98 117.46 114.59 1ngs n PHE 287 Ca -0.20 0.89 -0.37 0.00 1.01 0.00 0.00 57.45 58.78 1ngs n PHE 287 Cb 0.55 -4.84 -0.09 0.00 -0.01 0.00 0.00 39.48 35.09 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 -3.32 5.28 -0.29 -4.37 1.01 -1.26 -5.06 120.40 112.38 1ngs s VAL 288 Ca 0.15 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.57 1ngs s VAL 288 Cb -0.06 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.79 1ngs s VAL 288 CO 0.68 0.29 -0.02 -0.69 0.00 0.00 0.00 175.10 175.37 1ngs s VAL 289 N 1.25 1.99 0.20 2.92 1.01 -1.26 -4.90 120.40 121.61 1ngs s VAL 289 Ca 0.13 -1.84 -0.32 0.00 0.00 0.00 0.00 61.98 59.94 1ngs s VAL 289 Cb -0.14 -2.31 -0.14 0.00 0.00 0.00 0.00 36.38 33.78 1ngs s VAL 289 CO 0.06 -0.34 1.40 -2.65 0.00 0.00 0.00 175.10 173.57 1ngs n PRO 290 N 4.43 1.84 -0.34 2.72 -0.02 -1.26 -4.85 135.00 137.53 1ngs n PRO 290 Ca -0.05 0.66 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 1ngs n PRO 290 Cb 0.42 -2.31 0.30 0.00 -0.02 0.00 0.00 33.50 31.90 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 4.46 0.69 -0.45 -0.52 5.75 -2.00 0.27 115.11 123.30 1ngs h GLN 291 Ca -0.45 -0.04 0.13 0.00 -0.15 0.00 0.00 58.65 58.14 1ngs h GLN 291 Cb 1.29 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.66 1ngs h GLN 291 CO 0.78 0.46 0.34 0.93 -2.65 0.00 0.00 178.83 178.68 1ngs h GLU 292 N 0.71 0.00 -0.02 1.69 3.07 -1.98 0.28 114.58 118.33 1ngs h GLU 292 Ca 0.56 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 59.24 1ngs h GLU 292 Cb 0.88 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1ngs h GLU 292 CO -0.39 0.00 -0.70 0.28 -1.40 0.00 0.00 179.01 176.79 1ngs h VAL 293 N 0.00 1.38 -0.79 3.13 2.07 -0.80 -1.62 116.25 119.61 1ngs h VAL 293 Ca 0.22 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.63 1ngs h VAL 293 Cb 0.89 2.49 -0.04 0.00 -1.52 0.00 0.00 31.29 33.11 1ngs h VAL 293 CO -0.00 0.62 0.43 1.88 0.02 0.00 0.00 177.57 180.52 1ngs h TYR 294 N 0.06 1.09 -0.67 1.57 0.05 -1.01 -1.92 116.97 116.14 1ngs h TYR 294 Ca -0.08 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.64 1ngs h TYR 294 Cb 1.39 -0.35 -0.03 0.00 1.01 0.00 0.00 36.73 38.75 1ngs h TYR 294 CO 0.13 0.77 0.29 -0.44 -1.05 0.00 0.00 178.16 177.86 1ngs h ASP 295 N 1.10 0.88 0.29 3.88 3.32 -1.04 -1.65 116.42 123.20 1ngs h ASP 295 Ca 0.28 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1ngs h ASP 295 Cb 0.04 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.36 1ngs h ASP 295 CO -0.04 0.77 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.36 1ngs h HIS 296 N 0.95 -0.36 -0.14 4.55 2.76 -0.55 -2.71 115.15 119.65 1ngs h HIS 296 Ca 0.23 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.35 1ngs h HIS 296 Cb 0.15 0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 1ngs h HIS 296 CO 0.01 -0.06 -0.12 1.88 -1.30 0.00 0.00 177.93 178.34 1ngs h TYR 297 N -0.67 0.22 -0.21 5.26 0.05 -1.38 -0.17 116.97 120.08 1ngs h TYR 297 Ca -0.04 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.72 1ngs h TYR 297 Cb 0.47 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 1ngs h TYR 297 CO 0.01 0.33 0.13 0.37 -1.05 0.00 0.00 178.16 177.96 1ngs h GLN 298 N 0.20 0.28 0.04 4.88 5.75 -1.27 -0.13 115.11 124.85 1ngs h GLN 298 Ca 0.04 -0.02 -0.26 0.00 -0.15 0.00 0.00 58.65 58.26 1ngs h GLN 298 Cb 0.34 -0.06 0.02 0.00 1.07 0.00 0.00 27.48 28.85 1ngs h GLN 298 CO 0.02 0.21 -1.07 1.57 -2.65 0.00 0.00 178.83 176.91 1ngs h LYS 299 N 0.26 0.55 0.03 1.69 2.10 -1.12 -0.74 116.57 119.34 1ngs h LYS 299 Ca 0.08 -0.64 -0.22 0.00 -2.00 0.00 0.00 60.65 57.86 1ngs h LYS 299 Cb 0.00 0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 31.51 1ngs h LYS 299 CO -0.02 1.25 -1.03 1.15 -2.00 0.00 0.00 179.45 178.81 1ngs h THR 300 N 0.29 1.61 0.00 0.07 2.02 -1.04 -3.38 112.91 112.48 1ngs h THR 300 Ca -0.13 -3.14 0.00 0.00 0.77 0.00 0.00 66.41 63.91 1ngs h THR 300 Cb 1.72 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 70.91 1ngs h THR 300 CO 0.20 0.91 -0.00 -0.38 0.37 0.00 0.00 175.52 176.61 1ngs n ILE 301 N -3.47 0.73 0.08 3.11 5.41 -0.12 -4.68 119.36 120.42 1ngs n ILE 301 Ca -0.03 0.24 -0.12 0.00 1.00 0.00 0.00 62.75 63.84 1ngs n ILE 301 Cb 0.93 -1.35 -0.07 0.00 -0.71 0.00 0.00 39.64 38.43 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 -1.21 -0.50 1.39 7.12 -1.32 0.06 115.31 120.84 1ngs h LEU 302 Ca 0.00 0.13 -0.04 0.00 0.13 0.00 0.00 57.88 58.10 1ngs h LEU 302 Cb 0.00 0.45 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 1ngs h LEU 302 CO 0.00 -0.42 0.15 0.11 -0.13 0.00 0.00 178.44 178.15 1ngs h LYS 303 N -0.56 0.78 -0.46 1.25 1.57 -1.39 -0.43 116.57 117.33 1ngs h LYS 303 Ca -0.00 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 1ngs h LYS 303 Cb 0.57 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1ngs h LYS 303 CO -0.23 0.73 0.03 -1.35 -0.57 0.00 0.00 179.45 178.07 1ngs h PRO 304 N 0.67 0.74 -0.13 3.15 0.11 -1.72 -1.81 132.00 133.01 1ngs h PRO 304 Ca 0.16 -0.18 -0.00 0.00 0.11 0.00 0.00 66.00 66.09 1ngs h PRO 304 Cb 0.28 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1ngs h PRO 304 CO -0.00 0.73 0.07 0.78 -0.21 0.00 0.00 178.00 179.37 1ngs h GLY 305 N 0.95 0.19 0.60 -0.55 0.00 -0.67 0.15 103.07 103.74 1ngs h GLY 305 Ca 0.14 -0.09 0.06 0.00 0.00 0.00 0.00 47.33 47.45 1ngs h GLY 305 CO 0.01 0.08 0.23 -2.08 0.00 0.00 0.00 176.54 174.79 1ngs h VAL 306 N 0.11 0.88 -0.61 4.60 2.07 -0.96 0.22 116.25 122.57 1ngs h VAL 306 Ca 0.05 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.45 1ngs h VAL 306 Cb 0.07 0.40 -0.04 0.00 -1.52 0.00 0.00 31.29 30.20 1ngs h VAL 306 CO -0.01 0.08 0.36 -0.08 0.02 0.00 0.00 177.57 177.95 1ngs h GLU 307 N 0.45 0.69 -0.65 1.57 4.81 -0.61 -0.71 114.58 120.12 1ngs h GLU 307 Ca 0.25 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1ngs h GLU 307 Cb 0.22 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1ngs h GLU 307 CO -0.21 0.46 0.23 0.00 -0.73 0.00 0.00 179.01 178.75 1ngs h ALA 308 N 1.28 0.85 -0.25 2.92 0.00 0.10 -1.43 119.26 122.72 1ngs h ALA 308 Ca 0.25 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1ngs h ALA 308 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ngs h ALA 308 CO -0.12 0.50 -0.03 -0.97 0.00 0.00 0.00 179.25 178.64 1ngs h ASN 309 N 0.93 0.36 -0.19 0.00 -0.00 -0.52 -0.76 115.58 115.40 1ngs h ASN 309 Ca 0.21 -0.06 -0.10 0.00 -0.00 0.00 0.00 56.30 56.35 1ngs h ASN 309 Cb 0.26 -0.09 -0.00 0.00 -0.00 0.00 0.00 38.32 38.49 1ngs h ASN 309 CO -0.01 0.44 -0.27 -1.13 -0.00 0.00 0.00 177.43 176.46 1ngs h ASN 310 N 0.37 0.57 -0.07 1.15 -1.24 -0.32 -2.26 115.58 113.79 1ngs h ASN 310 Ca 0.08 -0.52 0.01 0.00 0.71 0.00 0.00 56.30 56.58 1ngs h ASN 310 Cb 0.30 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.18 1ngs h ASN 310 CO 0.01 0.98 0.01 0.11 -1.29 0.00 0.00 177.43 177.25 1ngs h LYS 311 N 0.18 0.04 -0.79 6.67 1.79 -0.96 -2.42 116.57 121.08 1ngs h LYS 311 Ca 0.02 -0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.64 1ngs h LYS 311 Cb 0.85 -0.01 -0.10 0.00 -1.58 0.00 0.00 32.23 31.39 1ngs h LYS 311 CO 0.06 0.03 0.34 2.35 -1.08 0.00 0.00 179.45 181.15 1ngs h TRP 312 N 0.04 0.58 -0.22 -1.35 7.01 -1.10 0.01 115.95 120.92 1ngs h TRP 312 Ca 0.03 0.04 -0.06 0.00 2.11 0.00 0.00 58.89 61.01 1ngs h TRP 312 Cb 0.02 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1ngs h TRP 312 CO -0.10 0.08 -0.11 -0.91 -2.79 0.00 0.00 178.44 174.61 1ngs h ASN 313 N 0.48 0.34 -0.07 2.65 4.21 -0.95 -0.76 115.58 121.49 1ngs h ASN 313 Ca 0.44 -0.07 -0.07 0.00 1.21 0.00 0.00 56.30 57.81 1ngs h ASN 313 Cb 0.68 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.79 1ngs h ASN 313 CO -0.41 0.49 -0.22 0.07 -1.29 0.00 0.00 177.43 176.07 1ngs h LYS 314 N 0.34 0.27 -0.90 0.81 5.09 -0.59 -2.11 116.57 119.48 1ngs h LYS 314 Ca 0.07 -0.20 0.02 0.00 0.09 0.00 0.00 60.65 60.63 1ngs h LYS 314 Cb 0.41 0.03 -0.05 0.00 0.10 0.00 0.00 32.23 32.72 1ngs h LYS 314 CO 0.02 0.82 0.59 1.25 -2.09 0.00 0.00 179.45 180.05 1ngs h LEU 315 N -0.24 1.00 -0.40 7.07 5.85 -1.16 -1.08 115.31 126.35 1ngs h LEU 315 Ca -0.01 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.63 1ngs h LEU 315 Cb 0.85 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 1ngs h LEU 315 CO 0.05 0.70 0.00 0.15 -0.34 0.00 0.00 178.44 179.00 1ngs h PHE 316 N 1.16 0.77 -0.65 1.25 3.57 -1.09 -1.04 116.94 120.91 1ngs h PHE 316 Ca 0.35 -0.13 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1ngs h PHE 316 Cb -0.05 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.46 1ngs h PHE 316 CO -0.00 0.78 0.43 0.77 -2.23 0.00 0.00 178.31 178.05 1ngs h SER 317 N 0.53 0.75 -0.39 0.41 0.02 -0.61 -1.13 113.55 113.14 1ngs h SER 317 Ca 0.11 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 1ngs h SER 317 Cb 0.47 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1ngs h SER 317 CO 0.02 0.55 0.12 -0.33 -1.14 0.00 0.00 176.83 176.06 1ngs h GLU 318 N 0.89 0.61 -0.68 3.45 3.07 -0.88 -3.01 114.58 118.04 1ngs h GLU 318 Ca 0.24 -0.13 0.07 0.00 -0.50 0.00 0.00 59.36 59.04 1ngs h GLU 318 Cb -0.09 -0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 27.67 1ngs h GLU 318 CO -0.05 0.61 0.37 -0.92 -1.40 0.00 0.00 179.01 177.62 1ngs h TYR 319 N 0.49 0.67 0.00 4.33 5.03 -0.03 -0.24 116.97 127.22 1ngs h TYR 319 Ca 0.13 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.46 1ngs h TYR 319 Cb 0.25 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 1ngs h TYR 319 CO 0.01 0.30 -0.03 1.96 -1.32 0.00 0.00 178.16 179.08 1ngs h GLN 320 N 0.66 0.00 0.00 1.82 4.20 -1.18 0.34 115.11 120.96 1ngs h GLN 320 Ca 0.31 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 1ngs h GLN 320 Cb 0.23 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 1ngs h GLN 320 CO -0.20 0.03 -0.13 0.87 -0.67 0.00 0.00 178.83 178.73 1ngs h LYS 321 N 0.00 0.00 -0.36 1.46 1.57 -0.96 -3.29 116.57 114.98 1ngs h LYS 321 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1ngs h LYS 321 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ngs h LYS 321 CO 0.00 0.97 -0.15 0.87 -0.57 0.00 0.00 179.45 180.57 1ngs h LYS 322 N -1.00 0.74 -3.00 3.15 1.79 -0.80 -3.38 116.57 114.06 1ngs h LYS 322 Ca -0.03 -0.31 -0.62 0.00 -2.18 0.00 0.00 60.65 57.50 1ngs h LYS 322 Cb 1.00 -0.03 -0.41 0.00 -1.58 0.00 0.00 32.23 31.22 1ngs h LYS 322 CO -0.02 0.92 -0.69 -0.06 -1.08 0.00 0.00 179.45 178.52 1ngs s PHE 323 N -4.65 2.66 0.20 -1.35 0.08 0.12 -5.00 117.98 110.03 1ngs s PHE 323 Ca -0.12 -2.89 -0.11 0.00 0.12 0.00 0.00 56.93 53.92 1ngs s PHE 323 Cb 0.10 -2.22 0.13 0.00 -0.57 0.00 0.00 43.02 40.46 1ngs s PHE 323 CO 0.82 -0.69 1.86 -1.00 -0.10 0.00 0.00 175.22 176.11 1ngs h PRO 324 N 6.03 0.86 0.40 0.24 0.13 -1.75 -0.41 132.00 137.50 1ngs h PRO 324 Ca 0.08 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.13 1ngs h PRO 324 Cb 0.85 -0.20 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1ngs h PRO 324 CO 0.59 0.57 -0.19 1.05 -0.23 0.00 0.00 178.00 179.79 1ngs h GLU 325 N 0.89 -0.51 -0.54 0.86 9.09 -1.94 -1.15 114.58 121.28 1ngs h GLU 325 Ca 0.25 0.03 -0.02 0.00 0.05 0.00 0.00 59.36 59.67 1ngs h GLU 325 Cb -0.08 0.12 -0.02 0.00 -1.65 0.00 0.00 28.75 27.11 1ngs h GLU 325 CO -0.06 -0.24 0.25 -0.07 0.05 0.00 0.00 179.01 178.94 1ngs h LEU 326 N -0.73 0.71 -0.63 3.06 -0.00 -1.96 -2.28 115.31 113.49 1ngs h LEU 326 Ca -0.05 -0.13 -0.02 0.00 -0.00 0.00 0.00 57.88 57.67 1ngs h LEU 326 Cb 0.51 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 1ngs h LEU 326 CO 0.09 0.65 0.32 1.23 -0.00 0.00 0.00 178.44 180.72 1ngs h GLY 327 N 0.72 0.95 1.16 0.83 0.00 -1.08 0.26 103.07 105.91 1ngs h GLY 327 Ca 0.18 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 1ngs h GLY 327 CO -0.02 0.44 0.32 0.00 0.00 0.00 0.00 176.54 177.27 1ngs h ALA 328 N 1.14 1.17 0.27 3.60 0.00 -1.00 0.13 119.26 124.57 1ngs h ALA 328 Ca 0.22 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1ngs h ALA 328 Cb 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ngs h ALA 328 CO -0.03 0.61 -0.13 1.49 0.00 0.00 0.00 179.25 181.19 1ngs h GLU 329 N 1.06 -0.35 -0.99 0.00 4.81 -1.19 -0.95 114.58 116.98 1ngs h GLU 329 Ca 0.25 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1ngs h GLU 329 Cb 0.16 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1ngs h GLU 329 CO -0.03 -0.03 0.65 1.25 -0.73 0.00 0.00 179.01 180.13 1ngs h LEU 330 N -0.69 1.12 -0.83 1.64 5.85 -0.76 0.95 115.31 122.59 1ngs h LEU 330 Ca -0.04 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ngs h LEU 330 Cb 0.47 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 1ngs h LEU 330 CO 0.06 0.80 0.55 0.00 -0.34 0.00 0.00 178.44 179.50 1ngs h ALA 331 N 1.38 1.06 -0.17 1.25 0.00 -0.65 0.16 119.26 122.29 1ngs h ALA 331 Ca 0.37 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.15 1ngs h ALA 331 Cb -0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.35 1ngs h ALA 331 CO -0.09 0.47 -0.16 -0.09 0.00 0.00 0.00 179.25 179.38 1ngs h ARG 332 N 1.13 0.41 -0.48 0.00 2.43 -0.29 -0.42 114.38 117.17 1ngs h ARG 332 Ca 0.30 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1ngs h ARG 332 Cb -0.12 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1ngs h ARG 332 CO -0.06 0.77 0.26 0.00 -1.51 0.00 0.00 179.97 179.43 1ngs h ARG 333 N 0.06 0.67 -0.08 0.20 3.08 -0.58 -0.68 114.38 117.06 1ngs h ARG 333 Ca 0.03 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1ngs h ARG 333 Cb 0.69 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1ngs h ARG 333 CO 0.04 0.53 -0.11 -0.07 -1.07 0.00 0.00 179.97 179.29 1ngs h LEU 334 N 0.64 0.11 -0.01 3.04 3.38 -0.57 0.24 115.31 122.13 1ngs h LEU 334 Ca 0.17 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ngs h LEU 334 Cb 0.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ngs h LEU 334 CO -0.03 0.24 -0.05 -1.54 0.09 0.00 0.00 178.44 177.15 1ngs n SER 335 N -4.34 0.07 -0.61 -0.43 3.41 -0.18 -4.89 113.62 106.65 1ngs n SER 335 Ca -0.02 0.26 -0.05 0.00 -0.26 0.00 0.00 58.87 58.80 1ngs n SER 335 Cb 0.22 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.80 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 1.45 0.21 3.68 5.00 0.00 0.84 -5.05 105.19 111.32 1ngs n GLY 336 Ca 0.09 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 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 -4.34 2.53 0.24 1.61 -1.52 -0.89 -5.04 119.66 112.25 1ngs s GLN 337 Ca 0.01 -0.83 -0.10 0.00 -1.95 0.00 0.00 55.36 52.48 1ngs s GLN 337 Cb -0.01 -2.53 -0.07 0.00 -0.22 0.00 0.00 33.01 30.18 1ngs s GLN 337 CO 0.01 0.54 0.57 -1.17 -0.25 0.00 0.00 175.29 175.00 1ngs s LEU 338 N -2.23 4.16 0.48 2.90 2.96 -1.26 -4.44 118.68 121.25 1ngs s LEU 338 Ca 0.25 0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 54.92 1ngs s LEU 338 Cb -0.12 -3.72 -0.10 0.00 0.50 0.00 0.00 46.19 42.75 1ngs s LEU 338 CO 0.17 -0.08 0.69 -2.65 -1.32 0.00 0.00 176.35 173.16 1ngs n PRO 339 N -0.13 0.77 -1.78 0.98 -0.02 -1.26 -4.83 135.00 128.73 1ngs n PRO 339 Ca 0.01 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.35 1ngs n PRO 339 Cb 0.52 -1.75 -0.03 0.00 -0.02 0.00 0.00 33.50 32.22 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 -1.50 3.71 -1.45 3.55 0.00 -1.26 -2.91 121.76 121.89 1ngs s ALA 340 Ca 0.66 1.35 -0.12 0.00 0.00 0.00 0.00 51.96 53.85 1ngs s ALA 340 Cb -0.53 -3.76 0.05 0.00 0.00 0.00 0.00 23.12 18.89 1ngs s ALA 340 CO 0.56 -1.25 1.07 -1.71 0.00 0.00 0.00 175.76 174.43 1ngs n ASN 341 N 5.97 -5.60 0.14 0.00 4.05 -1.26 -4.87 115.26 113.70 1ngs n ASN 341 Ca 0.17 -0.66 0.01 0.00 0.45 0.00 0.00 54.58 54.56 1ngs n ASN 341 Cb 0.39 -4.43 0.34 0.00 1.23 0.00 0.00 39.78 37.31 1ngs n ASN 341 CO 0.00 0.00 0.00 4.11 -3.05 0.00 0.00 177.26 178.32 1ngs h TRP 342 N -2.37 0.14 0.00 1.20 5.08 -1.89 -2.66 115.95 115.45 1ngs h TRP 342 Ca -0.57 -0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.37 1ngs h TRP 342 Cb 1.37 -0.04 0.00 0.00 -3.00 0.00 0.00 29.16 27.50 1ngs h TRP 342 CO 0.54 0.42 0.08 0.39 -1.28 0.00 0.00 178.44 178.59 1ngs n GLU 343 N -4.14 0.02 0.17 0.12 4.71 -1.26 -0.97 120.64 119.29 1ngs n GLU 343 Ca -0.01 0.47 0.02 0.00 -0.01 0.00 0.00 57.16 57.63 1ngs n GLU 343 Cb 0.37 -1.66 0.30 0.00 -1.01 0.00 0.00 31.44 29.44 1ngs n GLU 343 CO 0.00 0.00 0.00 0.77 0.09 0.00 0.00 177.13 177.99 1ngs h SER 344 N 0.00 0.00 0.12 1.62 0.02 -1.86 -3.02 113.55 110.42 1ngs h SER 344 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ngs h SER 344 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 1ngs h SER 344 CO 0.00 0.46 -0.02 0.29 -1.14 0.00 0.00 176.83 176.42 1ngs n LYS 345 N -3.80 1.04 -2.37 3.45 5.02 -0.15 -4.83 118.16 116.52 1ngs n LYS 345 Ca -0.01 -0.26 -0.41 0.00 -2.02 0.00 0.00 58.31 55.60 1ngs n LYS 345 Cb 0.51 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.99 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 -2.15 4.42 0.43 -0.35 1.43 -1.15 -4.78 118.68 116.54 1ngs s LEU 346 Ca 0.40 2.18 -0.24 0.00 -1.03 0.00 0.00 54.13 55.44 1ngs s LEU 346 Cb 0.21 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 1ngs s LEU 346 CO 0.39 -0.43 1.16 -2.84 0.23 0.00 0.00 176.35 174.87 1ngs s PRO 347 N 0.27 3.92 0.08 1.29 0.02 -1.26 -5.07 135.00 134.25 1ngs s PRO 347 Ca 0.56 1.80 0.07 0.00 0.02 0.00 0.00 61.00 63.44 1ngs s PRO 347 Cb -0.32 -2.55 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 1ngs s PRO 347 CO 0.34 -0.42 -0.17 0.95 -0.33 0.00 0.00 177.00 177.36 1ngs s THR 348 N -1.48 1.39 0.37 0.99 -4.23 -1.26 -4.76 115.64 106.67 1ngs s THR 348 Ca 0.60 -1.40 0.04 0.00 -1.18 0.00 0.00 61.69 59.75 1ngs s THR 348 Cb -0.29 -1.30 -0.03 0.00 1.34 0.00 0.00 72.50 72.22 1ngs s THR 348 CO 0.36 -0.13 0.14 -0.31 -0.54 0.00 0.00 174.62 174.14 1ngs s TYR 349 N -1.19 1.76 0.09 3.99 1.51 -1.26 -5.02 117.35 117.23 1ngs s TYR 349 Ca 0.02 -1.30 0.00 0.00 -1.01 0.00 0.00 57.07 54.79 1ngs s TYR 349 Cb -0.10 -1.08 -0.04 0.00 -0.11 0.00 0.00 41.96 40.63 1ngs s TYR 349 CO 0.03 -0.35 -0.03 0.95 -1.11 0.00 0.00 175.55 175.04 1ngs s THR 350 N -3.31 0.39 -0.86 -0.71 -4.23 -1.26 -4.92 115.64 100.73 1ngs s THR 350 Ca 0.28 -1.88 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 1ngs s THR 350 Cb 0.04 -1.69 0.03 0.00 1.34 0.00 0.00 72.50 72.22 1ngs s THR 350 CO 0.16 -0.85 1.10 0.00 -0.54 0.00 0.00 174.62 174.49 1ngs n ALA 351 N 0.01 0.99 0.17 3.99 0.00 -1.26 -1.49 120.51 122.91 1ngs n ALA 351 Ca -0.12 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1ngs n ALA 351 Cb 0.61 -1.04 0.24 0.00 0.00 0.00 0.00 19.45 19.27 1ngs n ALA 351 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1ngs h LYS 352 N 0.00 0.00 -7.42 0.00 3.64 -1.95 -3.45 116.57 107.39 1ngs h LYS 352 Ca 0.00 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 58.89 1ngs h LYS 352 Cb 0.02 0.00 0.09 0.00 -0.41 0.00 0.00 32.23 31.93 1ngs h LYS 352 CO 0.00 0.46 0.37 -0.51 -2.27 0.00 0.00 179.45 177.50 1ngs s ASP 353 N -6.50 5.03 0.83 4.20 1.01 -0.56 -5.04 116.67 115.64 1ngs s ASP 353 Ca 0.01 1.29 -0.10 0.00 0.71 0.00 0.00 52.55 54.45 1ngs s ASP 353 Cb 0.11 -2.08 0.09 0.00 1.01 0.00 0.00 42.92 42.05 1ngs s ASP 353 CO 0.71 -1.62 1.11 -0.44 0.21 0.00 0.00 175.17 175.14 1ngs s SER 354 N -4.07 3.85 -0.06 0.27 0.01 -1.26 -4.58 113.70 107.86 1ngs s SER 354 Ca 0.59 1.98 -0.30 0.00 1.31 0.00 0.00 55.95 59.53 1ngs s SER 354 Cb -0.13 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.54 1ngs s SER 354 CO 0.53 -2.48 1.05 0.00 0.41 0.00 0.00 173.24 172.75 1ngs s ALA 355 N -2.80 3.35 0.06 1.44 0.00 -1.26 -4.51 121.76 118.04 1ngs s ALA 355 Ca 0.63 0.50 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1ngs s ALA 355 Cb -0.19 -3.43 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 1ngs s ALA 355 CO 0.57 -0.52 -0.12 0.08 0.00 0.00 0.00 175.76 175.77 1ngs s VAL 356 N 1.71 0.94 0.25 0.00 1.01 -0.33 -4.74 120.40 119.23 1ngs s VAL 356 Ca 0.51 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1ngs s VAL 356 Cb -0.21 -0.95 -0.09 0.00 0.00 0.00 0.00 36.38 35.13 1ngs s VAL 356 CO 0.22 -0.29 1.18 0.00 0.00 0.00 0.00 175.10 176.21 1ngs s ALA 357 N -1.37 3.44 0.67 5.51 0.00 -1.26 -2.21 121.76 126.54 1ngs s ALA 357 Ca -0.04 0.98 0.41 0.00 0.00 0.00 0.00 51.96 53.31 1ngs s ALA 357 Cb -0.10 -3.39 2.25 0.00 0.00 0.00 0.00 23.12 21.89 1ngs s ALA 357 CO 0.02 -0.33 2.28 1.15 0.00 0.00 0.00 175.76 178.87 1ngs h THR 358 N 3.37 0.01 -0.12 0.00 2.02 -1.73 0.29 112.91 116.76 1ngs h THR 358 Ca -0.46 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.60 1ngs h THR 358 Cb 1.21 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.54 1ngs h THR 358 CO 0.70 0.00 -0.46 -0.09 0.37 0.00 0.00 175.52 176.04 1ngs h ARG 359 N 0.00 0.30 0.00 6.66 2.43 -1.83 -1.93 114.38 120.00 1ngs h ARG 359 Ca 0.00 -0.16 -0.26 0.00 -0.81 0.00 0.00 59.98 58.75 1ngs h ARG 359 Cb 0.15 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1ngs h ARG 359 CO -0.00 0.70 -1.46 -0.22 -1.51 0.00 0.00 179.97 177.48 1ngs h LYS 360 N 0.24 0.00 -0.05 0.20 3.64 -0.74 -3.16 116.57 116.70 1ngs h LYS 360 Ca 0.02 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.33 1ngs h LYS 360 Cb 0.90 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 1ngs h LYS 360 CO 0.07 0.66 -0.28 -0.07 -2.27 0.00 0.00 179.45 177.57 1ngs h LEU 361 N 0.00 0.09 -0.01 5.20 3.38 -1.23 -2.24 115.31 120.50 1ngs h LEU 361 Ca -0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1ngs h LEU 361 Cb 1.92 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.65 1ngs h LEU 361 CO 0.10 0.37 0.00 -1.28 0.09 0.00 0.00 178.44 177.72 1ngs h SER 362 N 0.08 0.01 -0.70 -0.43 0.87 -1.39 -2.21 113.55 109.78 1ngs h SER 362 Ca 0.01 -0.20 0.09 0.00 -1.23 0.00 0.00 61.79 60.46 1ngs h SER 362 Cb 0.54 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.43 1ngs h SER 362 CO 0.04 0.21 0.35 -0.08 -0.53 0.00 0.00 176.83 176.82 1ngs h GLU 363 N -0.19 0.58 -0.74 2.24 4.81 -1.43 -0.68 114.58 119.18 1ngs h GLU 363 Ca 0.00 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1ngs h GLU 363 Cb 0.20 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1ngs h GLU 363 CO -0.00 0.39 0.45 1.15 -0.73 0.00 0.00 179.01 180.26 1ngs h THR 364 N 0.60 1.04 -0.04 0.32 2.02 -1.17 -0.71 112.91 114.97 1ngs h THR 364 Ca 0.34 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1ngs h THR 364 Cb 0.35 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1ngs h THR 364 CO -0.26 0.15 -0.03 0.58 0.37 0.00 0.00 175.52 176.33 1ngs h VAL 365 N 0.84 0.91 -0.44 3.16 2.07 -0.53 -2.05 116.25 120.20 1ngs h VAL 365 Ca 0.32 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.91 1ngs h VAL 365 Cb 0.11 0.91 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 1ngs h VAL 365 CO -0.15 0.00 0.05 -0.07 0.02 0.00 0.00 177.57 177.42 1ngs h LEU 366 N -0.04 -0.07 -1.92 2.57 3.38 -0.49 0.44 115.31 119.18 1ngs h LEU 366 Ca 0.03 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1ngs h LEU 366 Cb 0.08 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ngs h LEU 366 CO -0.06 -0.00 0.04 -0.33 0.09 0.00 0.00 178.44 178.18 1ngs h GLU 367 N 0.17 0.10 0.10 1.13 4.39 -0.97 -1.93 114.58 117.57 1ngs h GLU 367 Ca 0.22 -0.01 -0.26 0.00 0.34 0.00 0.00 59.36 59.65 1ngs h GLU 367 Cb 0.30 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1ngs h GLU 367 CO -0.32 0.07 -1.18 -0.44 -1.16 0.00 0.00 179.01 175.98 1ngs h ASP 368 N 0.10 0.35 -0.01 1.42 3.32 -0.23 -3.38 116.42 117.99 1ngs h ASP 368 Ca 0.03 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1ngs h ASP 368 Cb -0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1ngs h ASP 368 CO -0.01 1.28 -0.55 1.33 -1.72 0.00 0.00 179.24 179.57 1ngs n VAL 369 N -3.51 0.00 0.11 -1.35 0.24 -0.51 -4.54 118.33 108.78 1ngs n VAL 369 Ca -0.07 -0.22 0.05 0.00 -2.04 0.00 0.00 64.34 62.06 1ngs n VAL 369 Cb 1.00 1.08 0.50 0.00 -1.47 0.00 0.00 33.84 34.95 1ngs n VAL 369 CO 0.00 0.00 0.00 0.10 -2.14 0.00 0.00 176.83 174.79 1ngs h TYR 370 N 0.80 0.29 0.00 6.34 -0.00 -1.54 -0.40 116.97 122.46 1ngs h TYR 370 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1ngs h TYR 370 Cb 0.45 -0.10 0.00 0.00 0.00 0.00 0.00 36.73 37.08 1ngs h TYR 370 CO 0.00 0.21 -0.17 -2.95 -0.00 0.00 0.00 178.16 175.25 1ngs h ASN 371 N 0.31 0.00 0.57 0.10 7.08 -1.83 -3.29 115.58 118.52 1ngs h ASN 371 Ca 0.08 -0.01 -0.28 0.00 -3.08 0.00 0.00 56.30 53.01 1ngs h ASN 371 Cb 0.02 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.25 1ngs h ASN 371 CO -0.01 0.00 -1.39 1.56 -2.08 0.00 0.00 177.43 175.51 1ngs h GLN 372 N 0.00 0.22 -3.65 4.14 1.08 -1.39 -3.42 115.11 112.09 1ngs h GLN 372 Ca 0.00 -0.37 -0.70 0.00 -1.45 0.00 0.00 58.65 56.14 1ngs h GLN 372 Cb 0.96 0.14 -0.35 0.00 -0.05 0.00 0.00 27.48 28.18 1ngs h GLN 372 CO 0.00 1.10 -0.38 -0.51 -0.95 0.00 0.00 178.83 178.09 1ngs s LEU 373 N -6.96 5.22 0.23 1.46 1.43 -0.43 -4.79 118.68 114.85 1ngs s LEU 373 Ca -0.06 -2.81 0.21 0.00 -1.03 0.00 0.00 54.13 50.44 1ngs s LEU 373 Cb 0.07 -1.85 0.93 0.00 0.03 0.00 0.00 46.19 45.38 1ngs s LEU 373 CO 0.86 -0.38 1.64 -0.81 0.23 0.00 0.00 176.35 177.89 1ngs n PRO 374 N 3.55 0.15 0.00 1.29 -0.04 -1.26 -1.36 135.00 137.33 1ngs n PRO 374 Ca 0.07 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1ngs n PRO 374 Cb 0.38 -1.83 0.65 0.00 -0.04 0.00 0.00 33.50 32.66 1ngs n PRO 374 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ngs n GLU 375 N -2.12 0.90 -2.72 0.54 0.00 -1.26 -4.81 120.64 111.16 1ngs n GLU 375 Ca 0.01 -0.32 -0.43 0.00 0.00 0.00 0.00 57.16 56.43 1ngs n GLU 375 Cb 0.17 -1.49 -0.03 0.00 0.00 0.00 0.00 31.44 30.09 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 -2.32 4.07 -0.18 -1.84 2.96 -0.46 -0.70 118.68 120.21 1ngs s LEU 376 Ca 0.33 1.21 -0.01 0.00 -0.22 0.00 0.00 54.13 55.44 1ngs s LEU 376 Cb 0.20 -3.43 0.05 0.00 0.50 0.00 0.00 46.19 43.51 1ngs s LEU 376 CO 0.44 -0.67 -0.01 -0.51 -1.32 0.00 0.00 176.35 174.27 1ngs s ILE 377 N 3.18 0.89 0.48 6.68 2.07 -1.19 -4.94 121.20 128.37 1ngs s ILE 377 Ca 0.41 -0.63 0.06 0.00 -1.41 0.00 0.00 60.65 59.08 1ngs s ILE 377 Cb -0.15 -1.21 0.06 0.00 0.13 0.00 0.00 42.46 41.29 1ngs s ILE 377 CO 0.08 -0.02 0.48 0.61 -1.91 0.00 0.00 174.94 174.18 1ngs n GLY 378 N 4.93 2.47 0.00 1.50 0.00 -0.61 -2.75 105.19 110.73 1ngs n GLY 378 Ca -0.10 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.80 -0.62 3.26 -0.02 0.00 -1.07 0.37 105.19 106.32 1ngs n GLY 379 Ca 0.04 -1.01 -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 -1.16 1.61 0.15 -1.08 -0.80 113.70 112.24 1ngs s SER 380 Ca 0.00 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.56 1ngs s SER 380 Cb 0.00 0.35 0.25 0.00 -1.71 0.00 0.00 66.02 64.91 1ngs s SER 380 CO 0.00 -0.54 1.57 0.00 1.20 0.00 0.00 173.24 175.47 1ngs n ALA 381 N 0.90 5.06 -2.63 5.45 0.00 -0.83 -1.44 120.51 127.02 1ngs n ALA 381 Ca -0.20 -4.60 -0.18 0.00 0.00 0.00 0.00 53.44 48.46 1ngs n ALA 381 Cb 0.58 -2.61 0.01 0.00 0.00 0.00 0.00 19.45 17.43 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 2.55 -5.21 -1.08 0.00 2.03 -1.16 -4.49 116.55 109.18 1ngs n ASP 382 Ca 0.31 -0.14 0.03 0.00 0.52 0.00 0.00 54.79 55.51 1ngs n ASP 382 Cb 0.35 -4.17 0.02 0.00 -0.72 0.00 0.00 41.12 36.61 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 -2.95 0.73 -0.34 -2.67 4.77 -1.26 -4.93 117.00 110.35 1ngs n LEU 383 Ca -0.15 -1.73 0.07 0.00 -0.03 0.00 0.00 56.01 54.18 1ngs n LEU 383 Cb 0.63 -0.03 0.17 0.00 -2.33 0.00 0.00 43.42 41.86 1ngs n LEU 383 CO 0.32 0.45 0.71 0.74 -1.33 0.00 0.00 177.39 178.27 1ngs h THR 384 N 6.65 0.05 0.00 -5.08 2.02 -1.90 0.21 112.91 114.86 1ngs h THR 384 Ca -0.14 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.04 1ngs h THR 384 Cb 1.67 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1ngs h THR 384 CO 0.06 0.00 0.00 -0.81 0.37 0.00 0.00 175.52 175.14 1ngs n PRO 385 N -5.57 0.18 -0.06 6.66 -0.04 -1.26 -1.06 135.00 133.85 1ngs n PRO 385 Ca 0.17 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.63 1ngs n PRO 385 Cb 0.55 -1.71 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1ngs n PRO 385 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ngs n SER 386 N -2.03 1.52 0.15 3.54 7.64 0.40 -4.24 113.62 120.61 1ngs n SER 386 Ca 0.06 0.09 0.06 0.00 1.01 0.00 0.00 58.87 60.09 1ngs n SER 386 Cb 0.39 -0.27 0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.02 0.00 -5.72 6.43 2.35 -0.82 -3.48 115.58 114.37 1ngs h ASN 387 Ca -0.47 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 54.89 1ngs h ASN 387 Cb 2.02 0.00 0.14 0.00 0.05 0.00 0.00 38.32 40.53 1ngs h ASN 387 CO 0.02 0.30 -0.67 0.18 -1.65 0.00 0.00 177.43 175.61 1ngs n LEU 388 N -3.09 -3.41 -0.58 1.61 4.77 -0.22 -4.85 117.00 111.22 1ngs n LEU 388 Ca 0.01 -0.53 0.12 0.00 -0.03 0.00 0.00 56.01 55.58 1ngs n LEU 388 Cb 0.66 -2.98 0.40 0.00 -2.33 0.00 0.00 43.42 39.17 1ngs n LEU 388 CO 0.39 0.63 0.79 1.07 -1.33 0.00 0.00 177.39 178.94 1ngs n THR 389 N -4.91 0.16 -4.35 -5.08 5.66 -1.12 -4.30 114.28 100.34 1ngs n THR 389 Ca -0.01 -0.35 -0.34 0.00 -3.05 0.00 0.00 64.05 60.30 1ngs n THR 389 Cb 0.56 0.48 -0.11 0.00 -1.55 0.00 0.00 70.33 69.72 1ngs n THR 389 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1ngs s ARG 390 N -1.84 3.51 0.44 1.09 3.52 -1.26 -4.70 118.95 119.71 1ngs s ARG 390 Ca 0.34 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 55.30 1ngs s ARG 390 Cb 0.19 -2.91 -0.09 0.00 -1.56 0.00 0.00 34.95 30.58 1ngs s ARG 390 CO 0.29 0.37 0.91 1.67 -0.81 0.00 0.00 175.30 177.73 1ngs s TRP 391 N 0.02 3.39 0.24 5.12 -2.14 -1.26 -4.97 118.94 119.33 1ngs s TRP 391 Ca 0.02 1.43 -0.07 0.00 2.66 0.00 0.00 56.10 60.14 1ngs s TRP 391 Cb -0.13 -2.73 0.22 0.00 -3.10 0.00 0.00 33.47 27.73 1ngs s TRP 391 CO 0.02 -0.16 1.89 -0.22 -2.66 0.00 0.00 176.95 175.82 1ngs h LYS 392 N 1.56 1.25 -0.36 3.25 3.64 -1.97 -2.93 116.57 121.01 1ngs h LYS 392 Ca -0.48 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 1ngs h LYS 392 Cb 1.18 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1ngs h LYS 392 CO 0.62 0.87 0.00 -1.91 -2.27 0.00 0.00 179.45 176.76 1ngs n GLU 393 N -4.38 1.75 -2.33 1.90 2.13 -1.26 -4.95 120.64 113.50 1ngs n GLU 393 Ca 0.10 -1.00 -0.37 0.00 0.66 0.00 0.00 57.16 56.56 1ngs n GLU 393 Cb 0.05 -1.30 -0.02 0.00 0.27 0.00 0.00 31.44 30.45 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 -1.64 2.99 -0.07 4.31 0.00 -1.11 -5.05 121.76 121.19 1ngs s ALA 394 Ca 0.18 0.86 0.03 0.00 0.00 0.00 0.00 51.96 53.04 1ngs s ALA 394 Cb 0.10 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.85 1ngs s ALA 394 CO 0.11 -0.55 -0.15 -1.17 0.00 0.00 0.00 175.76 174.00 1ngs s LEU 395 N -2.98 2.63 0.43 0.00 2.96 -1.26 -5.03 118.68 115.43 1ngs s LEU 395 Ca 0.63 -0.28 -0.22 0.00 -0.22 0.00 0.00 54.13 54.04 1ngs s LEU 395 Cb -0.26 -1.54 -0.09 0.00 0.50 0.00 0.00 46.19 44.79 1ngs s LEU 395 CO 0.32 0.28 1.04 -1.81 -1.32 0.00 0.00 176.35 174.86 1ngs s ASP 396 N -0.35 6.61 -0.43 3.68 1.01 -1.26 -1.32 116.67 124.61 1ngs s ASP 396 Ca 0.03 1.97 -0.26 0.00 0.71 0.00 0.00 52.55 55.00 1ngs s ASP 396 Cb -0.12 -2.57 0.02 0.00 1.01 0.00 0.00 42.92 41.26 1ngs s ASP 396 CO 0.02 -0.60 0.96 0.12 0.21 0.00 0.00 175.17 175.89 1ngs s PHE 397 N -1.82 2.96 0.20 4.23 2.19 0.26 -2.11 117.98 123.89 1ngs s PHE 397 Ca 0.62 0.59 -0.15 0.00 0.33 0.00 0.00 56.93 58.32 1ngs s PHE 397 Cb -0.19 -3.93 0.01 0.00 -1.31 0.00 0.00 43.02 37.61 1ngs s PHE 397 CO 0.24 -1.03 0.46 -0.65 1.83 0.00 0.00 175.22 176.07 1ngs s GLN 398 N 3.77 1.37 0.51 10.12 -1.52 -1.09 -4.68 119.66 128.14 1ngs s GLN 398 Ca 0.39 -1.02 -0.21 0.00 -1.95 0.00 0.00 55.36 52.58 1ngs s GLN 398 Cb -0.10 0.48 -0.07 0.00 -0.22 0.00 0.00 33.01 33.10 1ngs s GLN 398 CO 0.24 -0.56 1.13 -2.14 -0.25 0.00 0.00 175.29 173.71 1ngs s PRO 399 N -3.92 3.55 0.45 2.91 0.02 -1.26 -1.36 135.00 135.38 1ngs s PRO 399 Ca 0.14 1.64 0.13 0.00 0.02 0.00 0.00 61.00 62.92 1ngs s PRO 399 Cb -0.00 -2.15 1.04 0.00 0.02 0.00 0.00 34.50 33.40 1ngs s PRO 399 CO 0.00 -0.70 2.03 -1.35 -0.33 0.00 0.00 177.00 176.66 1ngs h PRO 400 N 1.53 0.36 0.00 5.54 0.11 -1.92 -1.68 132.00 135.93 1ngs h PRO 400 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ngs h PRO 400 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1ngs h PRO 400 CO 0.58 0.24 0.00 -1.13 -0.21 0.00 0.00 178.00 177.48 1ngs n SER 401 N -4.48 0.00 0.07 -2.05 3.41 -1.26 -3.04 113.62 106.27 1ngs n SER 401 Ca 0.06 0.36 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 1ngs n SER 401 Cb 0.25 -0.42 0.02 0.00 -0.26 0.00 0.00 64.21 63.80 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 0.35 0.00 4.04 4.64 -1.58 -3.47 113.55 117.53 1ngs h SER 402 Ca 0.00 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ngs h SER 402 Cb 0.16 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1ngs h SER 402 CO 0.00 1.01 0.00 0.61 -0.87 0.00 0.00 176.83 177.58 1ngs n GLY 403 N 0.69 2.54 0.02 -0.77 0.00 -1.17 -4.79 105.19 101.70 1ngs n GLY 403 Ca -0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.09 1ngs n GLY 403 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ngs n SER 404 N 0.00 0.65 0.00 1.61 3.41 -1.26 -5.04 113.62 112.99 1ngs n SER 404 Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1ngs n SER 404 Cb 0.00 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 1ngs n SER 404 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngs n GLY 405 N 1.43 -0.59 3.85 5.00 0.00 -1.26 -4.28 105.19 109.34 1ngs n GLY 405 Ca 0.03 -0.69 -0.07 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.25 0.46 1.61 2.20 -0.90 -4.22 114.94 109.84 1ngs s ASN 406 Ca 0.00 -0.59 0.31 0.00 -0.94 0.00 0.00 52.86 51.64 1ngs s ASN 406 Cb 0.00 0.70 1.66 0.00 -2.00 0.00 0.00 41.25 41.61 1ngs s ASN 406 CO 0.00 -1.30 1.94 1.88 -2.94 0.00 0.00 177.10 176.68 1ngs h TYR 407 N 2.00 0.00 -0.00 1.54 0.05 -1.48 0.01 116.97 119.09 1ngs h TYR 407 Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.58 1ngs h TYR 407 Cb 1.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.99 1ngs h TYR 407 CO 0.44 0.00 -0.18 -1.13 -1.05 0.00 0.00 178.16 176.23 1ngs n SER 408 N -2.58 0.34 -4.69 3.88 3.41 -1.26 -3.82 113.62 108.90 1ngs n SER 408 Ca -0.02 -0.15 -0.35 0.00 -0.26 0.00 0.00 58.87 58.09 1ngs n SER 408 Cb 0.05 -0.12 0.10 0.00 -0.26 0.00 0.00 64.21 63.98 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 1.41 0.09 0.13 5.00 0.00 -0.03 -4.96 105.19 106.83 1ngs n GLY 409 Ca 0.10 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.47 1.22 -4.00 1.61 1.74 -0.43 -4.29 116.66 110.04 1ngs n ARG 410 Ca 0.14 -2.53 -0.25 0.00 -0.77 0.00 0.00 57.85 54.44 1ngs n ARG 410 Cb 0.49 -1.45 -0.17 0.00 -1.02 0.00 0.00 32.46 30.32 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 -2.73 1.28 -0.14 -1.55 5.04 -1.16 -1.57 117.35 116.52 1ngs s TYR 411 Ca 0.31 -0.57 -0.05 0.00 -2.44 0.00 0.00 57.07 54.31 1ngs s TYR 411 Cb 0.27 -1.09 -0.04 0.00 0.35 0.00 0.00 41.96 41.45 1ngs s TYR 411 CO 0.02 -0.42 0.04 0.42 -1.34 0.00 0.00 175.55 174.27 1ngs s ILE 412 N 1.54 4.58 -0.81 3.14 1.01 0.16 -0.57 121.20 130.24 1ngs s ILE 412 Ca 0.01 -0.12 -0.16 0.00 0.00 0.00 0.00 60.65 60.37 1ngs s ILE 412 Cb -0.13 -3.01 0.17 0.00 0.01 0.00 0.00 42.46 39.51 1ngs s ILE 412 CO -0.05 0.52 0.85 -0.13 0.00 0.00 0.00 174.94 176.13 1ngs s ARG 413 N -0.13 3.50 0.53 2.79 1.81 -1.26 -2.64 118.95 123.54 1ngs s ARG 413 Ca 0.06 -2.08 0.31 0.00 -1.72 0.00 0.00 55.73 52.30 1ngs s ARG 413 Cb -0.12 -4.54 1.28 0.00 -0.45 0.00 0.00 34.95 31.11 1ngs s ARG 413 CO 0.02 -1.46 1.96 1.88 -0.68 0.00 0.00 175.30 177.01 1ngs h TYR 414 N 8.32 0.00 -0.13 -0.53 0.05 -1.64 -3.49 116.97 119.55 1ngs h TYR 414 Ca 0.05 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1ngs h TYR 414 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.78 1ngs h TYR 414 CO 1.03 0.05 -0.01 0.41 -1.05 0.00 0.00 178.16 178.59 1ngs n GLY 415 N 0.03 -2.16 3.16 3.88 0.00 -1.26 -4.20 105.19 104.63 1ngs n GLY 415 Ca 0.00 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.67 3.89 -3.11 -0.61 -0.00 -1.26 -2.98 119.36 114.62 1ngs n ILE 416 Ca 0.00 -3.87 -0.21 0.00 -0.00 0.00 0.00 62.75 58.67 1ngs n ILE 416 Cb 0.02 -2.46 -0.05 0.00 -0.00 0.00 0.00 39.64 37.15 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 6.47 0.70 -0.02 0.38 1.74 -1.26 -5.01 116.66 119.65 1ngs n ARG 417 Ca 0.47 -2.92 -0.10 0.00 -0.77 0.00 0.00 57.85 54.53 1ngs n ARG 417 Cb 0.42 -1.28 -0.04 0.00 -1.02 0.00 0.00 32.46 30.54 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 4.07 0.12 -0.61 5.56 3.07 -1.92 -1.32 114.58 123.56 1ngs h GLU 418 Ca 0.03 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1ngs h GLU 418 Cb 0.91 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.77 1ngs h GLU 418 CO 0.43 0.08 0.36 1.25 -1.40 0.00 0.00 179.01 179.73 1ngs h HIS 419 N 0.13 0.81 -0.66 4.33 2.76 -1.90 -1.04 115.15 119.57 1ngs h HIS 419 Ca 0.06 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1ngs h HIS 419 Cb 0.04 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 28.71 1ngs h HIS 419 CO -0.11 0.56 0.12 0.00 -1.30 0.00 0.00 177.93 177.20 1ngs h ALA 420 N 1.18 0.97 -0.55 5.26 0.00 -1.80 -2.35 119.26 121.97 1ngs h ALA 420 Ca 0.22 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ngs h ALA 420 Cb -0.01 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1ngs h ALA 420 CO -0.04 0.65 0.29 1.98 0.00 0.00 0.00 179.25 182.13 1ngs h MET 421 N 1.00 0.54 -0.69 0.00 -1.53 -0.67 0.28 114.93 113.88 1ngs h MET 421 Ca 0.20 -0.03 0.06 0.00 -3.44 0.00 0.00 59.70 56.49 1ngs h MET 421 Cb 0.41 -0.12 -0.06 0.00 -0.55 0.00 0.00 31.60 31.28 1ngs h MET 421 CO 0.01 0.36 0.39 0.78 0.14 0.00 0.00 176.91 178.59 1ngs h GLY 422 N 0.56 1.01 1.62 1.39 0.00 -0.79 -0.69 103.07 106.18 1ngs h GLY 422 Ca 0.24 -0.27 -0.21 0.00 0.00 0.00 0.00 47.33 47.09 1ngs h GLY 422 CO -0.16 0.17 -0.90 0.00 0.00 0.00 0.00 176.54 175.65 1ngs h ALA 423 N 1.35 0.44 -0.40 3.60 0.00 -0.91 -2.84 119.26 120.50 1ngs h ALA 423 Ca 0.31 -0.70 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1ngs h ALA 423 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1ngs h ALA 423 CO -0.18 0.84 -0.26 0.82 0.00 0.00 0.00 179.25 180.47 1ngs h ILE 424 N 0.20 1.27 -0.72 0.00 2.04 -0.23 -1.96 117.51 118.10 1ngs h ILE 424 Ca -0.06 -1.40 -0.04 0.00 1.00 0.00 0.00 64.86 64.35 1ngs h ILE 424 Cb 1.53 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 1ngs h ILE 424 CO 0.15 0.47 0.30 0.24 0.00 0.00 0.00 178.15 179.31 1ngs h MET 425 N 0.72 1.06 -0.65 2.37 2.86 -1.13 -0.42 114.93 119.74 1ngs h MET 425 Ca 0.09 -0.18 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1ngs h MET 425 Cb 0.80 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1ngs h MET 425 CO 0.07 0.86 0.21 -0.91 1.06 0.00 0.00 176.91 178.20 1ngs h ASN 426 N 1.04 0.94 -0.54 1.22 2.35 -1.23 -0.41 115.58 118.95 1ngs h ASN 426 Ca 0.24 -0.20 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1ngs h ASN 426 Cb 0.18 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 1ngs h ASN 426 CO -0.02 0.89 0.11 1.23 -1.65 0.00 0.00 177.43 178.00 1ngs h GLY 427 N 0.94 0.95 0.97 2.83 0.00 -0.72 0.36 103.07 108.39 1ngs h GLY 427 Ca 0.21 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1ngs h GLY 427 CO -0.01 0.57 0.24 -2.22 0.00 0.00 0.00 176.54 175.12 1ngs h ILE 428 N 0.78 1.16 -0.23 2.60 2.04 -0.92 -0.21 117.51 122.73 1ngs h ILE 428 Ca 0.17 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.59 1ngs h ILE 428 Cb 0.37 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1ngs h ILE 428 CO 0.01 0.17 0.11 -1.28 0.00 0.00 0.00 178.15 177.16 1ngs h SER 429 N 0.57 0.30 0.19 1.72 0.87 -0.83 -2.92 113.55 113.44 1ngs h SER 429 Ca 0.15 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1ngs h SER 429 Cb 0.07 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 1ngs h SER 429 CO -0.02 0.34 -0.01 0.00 -0.53 0.00 0.00 176.83 176.61 1ngs h ALA 430 N 0.97 1.05 -0.53 6.23 0.00 0.07 -3.09 119.26 123.97 1ngs h ALA 430 Ca 0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ngs h ALA 430 Cb 0.12 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1ngs h ALA 430 CO -0.01 0.01 0.23 0.35 0.00 0.00 0.00 179.25 179.83 1ngs h PHE 431 N 0.00 0.79 0.00 0.00 3.57 -0.84 -3.50 116.94 116.97 1ngs h PHE 431 Ca -0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1ngs h PHE 431 Cb 0.10 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.60 1ngs h PHE 431 CO 0.00 0.64 0.00 0.41 -2.23 0.00 0.00 178.31 177.13 1ngs n GLY 432 N -0.85 0.32 3.40 2.40 0.00 -1.17 -4.99 105.19 104.30 1ngs n GLY 432 Ca 0.02 -2.12 -0.22 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.97 -1.07 -2.26 4.61 0.00 -1.26 -2.07 120.51 117.48 1ngs n ALA 433 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1ngs n ALA 433 Cb 0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 19.45 17.28 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 -2.13 -4.71 -4.70 0.00 5.15 -1.21 -4.69 115.26 102.97 1ngs n ASN 434 Ca 0.01 0.15 -0.44 0.00 -0.60 0.00 0.00 54.58 53.71 1ngs n ASN 434 Cb 0.51 -4.01 -0.03 0.00 -0.53 0.00 0.00 39.78 35.72 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 -3.39 2.49 -3.72 1.20 4.01 -0.88 -4.82 117.16 112.04 1ngs n TYR 435 Ca -0.19 0.24 -0.30 0.00 -0.16 0.00 0.00 57.90 57.49 1ngs n TYR 435 Cb 0.63 -2.57 -0.10 0.00 -0.31 0.00 0.00 39.34 36.99 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 3.03 2.24 -2.68 -0.72 4.76 0.12 -4.69 118.16 120.23 1ngs n LYS 436 Ca 0.14 -4.53 -0.35 0.00 -2.87 0.00 0.00 58.31 50.70 1ngs n LYS 436 Cb 0.32 -2.32 -0.05 0.00 -1.84 0.00 0.00 35.03 31.14 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 -1.71 4.17 -0.01 1.97 0.04 -1.26 -3.19 135.00 135.01 1ngs s PRO 437 Ca 0.29 1.30 -0.12 0.00 0.04 0.00 0.00 61.00 62.51 1ngs s PRO 437 Cb -0.01 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.20 1ngs s PRO 437 CO -0.12 -0.10 0.25 1.52 0.04 0.00 0.00 177.00 178.59 1ngs s TYR 438 N -1.91 -0.12 0.02 0.56 1.13 -1.11 -2.01 117.35 113.90 1ngs s TYR 438 Ca 0.60 0.17 -0.02 0.00 -1.41 0.00 0.00 57.07 56.42 1ngs s TYR 438 Cb -0.15 0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.74 1ngs s TYR 438 CO 0.20 -0.34 0.00 0.20 -2.51 0.00 0.00 175.55 173.10 1ngs s GLY 439 N -1.24 0.22 0.07 5.49 0.00 -0.50 -2.58 107.32 108.77 1ngs s GLY 439 Ca -0.13 -0.56 0.08 0.00 0.00 0.00 0.00 44.72 44.11 1ngs s GLY 439 CO 0.03 -0.64 -0.18 -0.32 0.00 0.00 0.00 173.10 171.99 1ngs s GLY 440 N -1.58 1.62 0.29 0.20 0.00 0.02 -0.93 107.32 106.94 1ngs s GLY 440 Ca -0.14 -1.26 -0.19 0.00 0.00 0.00 0.00 44.72 43.13 1ngs s GLY 440 CO -0.01 -1.19 0.88 -1.08 0.00 0.00 0.00 173.10 171.70 1ngs s THR 441 N -1.01 0.00 0.17 0.90 -1.32 -1.03 -1.97 115.64 111.38 1ngs s THR 441 Ca 0.16 -0.83 -0.29 0.00 -1.21 0.00 0.00 61.69 59.52 1ngs s THR 441 Cb -0.11 -2.71 -0.08 0.00 -1.51 0.00 0.00 72.50 68.10 1ngs s THR 441 CO 0.07 0.00 0.90 -0.36 -2.21 0.00 0.00 174.62 173.02 1ngs s PHE 442 N -2.52 3.91 0.36 9.09 0.08 -1.26 -1.62 117.98 126.02 1ngs s PHE 442 Ca 0.17 1.79 0.18 0.00 0.12 0.00 0.00 56.93 59.19 1ngs s PHE 442 Cb -0.04 -2.94 1.22 0.00 -0.57 0.00 0.00 43.02 40.69 1ngs s PHE 442 CO 0.08 0.39 1.63 1.25 -0.10 0.00 0.00 175.22 178.47 1ngs h LEU 443 N 4.69 0.42 -1.96 -0.37 5.85 -0.63 0.26 115.31 123.56 1ngs h LEU 443 Ca -0.45 0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1ngs h LEU 443 Cb 1.20 0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 1ngs h LEU 443 CO 0.69 -0.25 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.31 1ngs h ASN 444 N 0.18 0.00 -0.05 1.25 -1.24 -1.82 -2.57 115.58 111.33 1ngs h ASN 444 Ca 0.79 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.80 1ngs h ASN 444 Cb 1.98 0.00 0.00 0.00 0.73 0.00 0.00 38.32 41.03 1ngs h ASN 444 CO -0.65 0.09 0.00 0.49 -1.29 0.00 0.00 177.43 176.07 1ngs n PHE 445 N -3.48 0.03 0.26 0.67 3.72 0.92 -3.78 117.46 115.79 1ngs n PHE 445 Ca -0.02 -0.02 0.14 0.00 -0.05 0.00 0.00 57.45 57.51 1ngs n PHE 445 Cb 0.23 0.00 0.68 0.00 -0.94 0.00 0.00 39.48 39.45 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 4.53 0.38 0.00 -4.37 2.07 -1.40 -1.80 116.25 115.67 1ngs h VAL 446 Ca 0.00 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1ngs h VAL 446 Cb 0.96 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1ngs h VAL 446 CO 0.00 0.11 -0.04 0.28 0.02 0.00 0.00 177.57 177.94 1ngs h SER 447 N 0.00 0.00 0.40 0.57 0.02 -1.74 0.32 113.55 113.13 1ngs h SER 447 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1ngs h SER 447 Cb 0.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1ngs h SER 447 CO 0.02 0.04 -0.05 1.88 -1.14 0.00 0.00 176.83 177.58 1ngs h TYR 448 N 0.00 0.00 -0.43 3.45 -1.99 -1.57 -2.86 116.97 113.57 1ngs h TYR 448 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1ngs h TYR 448 Cb 0.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1ngs h TYR 448 CO 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.21 1ngs n ALA 449 N -2.17 2.67 -0.10 3.88 0.00 0.09 -4.31 120.51 120.57 1ngs n ALA 449 Ca -0.02 -1.59 0.26 0.00 0.00 0.00 0.00 53.44 52.09 1ngs n ALA 449 Cb 0.20 -0.70 0.72 0.00 0.00 0.00 0.00 19.45 19.66 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 2.69 2.66 -0.41 0.00 0.00 -1.40 -0.12 119.26 122.68 1ngs h ALA 450 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1ngs h ALA 450 Cb 1.15 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1ngs h ALA 450 CO 0.13 -0.98 -0.03 0.78 0.00 0.00 0.00 179.25 179.14 1ngs h GLY 451 N 0.00 0.81 1.18 0.00 0.00 -1.86 -2.68 103.07 100.52 1ngs h GLY 451 Ca 0.36 -0.62 -0.28 0.00 0.00 0.00 0.00 47.33 46.79 1ngs h GLY 451 CO -0.00 0.57 -1.16 0.00 0.00 0.00 0.00 176.54 175.94 1ngs h ALA 452 N 0.88 0.01 -0.74 3.60 0.00 -1.37 -3.30 119.26 118.34 1ngs h ALA 452 Ca 0.11 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 54.29 1ngs h ALA 452 Cb 0.53 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1ngs h ALA 452 CO 0.03 0.65 0.48 0.28 0.00 0.00 0.00 179.25 180.69 1ngs h VAL 453 N 0.25 1.15 -0.02 0.00 2.07 -1.31 -1.13 116.25 117.26 1ngs h VAL 453 Ca -0.17 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1ngs h VAL 453 Cb 1.84 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1ngs h VAL 453 CO 0.22 0.17 -0.01 -0.09 0.02 0.00 0.00 177.57 177.88 1ngs h ARG 454 N 0.95 0.03 0.00 1.57 2.43 -1.57 -0.22 114.38 117.57 1ngs h ARG 454 Ca 0.28 -0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.35 1ngs h ARG 454 Cb -0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.48 1ngs h ARG 454 CO -0.08 0.05 -0.48 -0.07 -1.51 0.00 0.00 179.97 177.87 1ngs h LEU 455 N 0.03 0.00 -0.74 3.80 3.38 -1.30 -0.18 115.31 120.30 1ngs h LEU 455 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1ngs h LEU 455 Cb 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1ngs h LEU 455 CO 0.00 0.48 -0.32 0.28 0.09 0.00 0.00 178.44 178.98 1ngs h SER 456 N 0.00 0.62 0.01 -0.43 0.02 -0.33 -1.52 113.55 111.92 1ngs h SER 456 Ca -0.00 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1ngs h SER 456 Cb 1.26 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1ngs h SER 456 CO 0.06 0.90 -0.01 0.00 -1.14 0.00 0.00 176.83 176.65 1ngs h ALA 457 N 1.14 -0.02 -0.32 3.77 0.00 -1.35 0.93 119.26 123.41 1ngs h ALA 457 Ca 0.06 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ngs h ALA 457 Cb 0.80 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ngs h ALA 457 CO 0.07 -0.15 0.09 1.25 0.00 0.00 0.00 179.25 180.51 1ngs h LEU 458 N -0.73 0.08 0.00 0.00 6.46 -1.01 -3.08 115.31 117.03 1ngs h LEU 458 Ca -0.00 0.04 -0.17 0.00 -0.12 0.00 0.00 57.88 57.62 1ngs h LEU 458 Cb 0.70 0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.64 1ngs h LEU 458 CO 0.00 0.08 -0.91 0.28 -0.62 0.00 0.00 178.44 177.27 1ngs h SER 459 N 0.22 0.00 -0.94 1.25 0.02 -1.40 -3.49 113.55 109.21 1ngs h SER 459 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1ngs h SER 459 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1ngs h SER 459 CO -0.16 0.78 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 1ngs n GLY 460 N 1.33 0.80 3.60 -3.77 0.00 -0.20 -4.83 105.19 102.11 1ngs n GLY 460 Ca -0.02 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.62 3.23 -0.82 1.61 3.76 0.15 -4.25 115.29 116.36 1ngs s HIS 461 Ca 0.00 0.59 -0.06 0.00 -0.15 0.00 0.00 55.06 55.44 1ngs s HIS 461 Cb 0.00 -2.88 -0.10 0.00 1.11 0.00 0.00 32.58 30.71 1ngs s HIS 461 CO 0.00 -0.40 2.52 -0.35 -0.85 0.00 0.00 174.74 175.66 1ngs n PRO 462 N 5.74 2.30 -1.95 8.40 -0.04 -1.26 -3.29 135.00 144.90 1ngs n PRO 462 Ca -0.02 -1.42 -0.32 0.00 -0.04 0.00 0.00 63.50 61.70 1ngs n PRO 462 Cb 0.49 -2.36 0.01 0.00 -0.04 0.00 0.00 33.50 31.60 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 2.54 4.37 -0.11 0.52 -7.23 -1.26 -4.78 120.40 114.45 1ngs s VAL 463 Ca 0.50 0.91 0.02 0.00 -1.81 0.00 0.00 61.98 61.60 1ngs s VAL 463 Cb 0.16 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.46 1ngs s VAL 463 CO -0.03 -0.87 -0.19 -0.63 -0.31 0.00 0.00 175.10 173.07 1ngs s ILE 464 N -2.91 1.74 -0.22 -0.62 1.01 -0.85 -0.50 121.20 118.85 1ngs s ILE 464 Ca 0.58 -0.80 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 1ngs s ILE 464 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1ngs s ILE 464 CO 0.46 0.49 0.09 0.26 0.00 0.00 0.00 174.94 176.24 1ngs s TRP 465 N 0.81 3.21 -0.90 3.97 0.52 0.42 -1.41 118.94 125.56 1ngs s TRP 465 Ca -0.09 -0.02 -0.12 0.00 0.02 0.00 0.00 56.10 55.89 1ngs s TRP 465 Cb -0.16 -2.18 0.23 0.00 -1.15 0.00 0.00 33.47 30.21 1ngs s TRP 465 CO 0.00 -0.02 0.85 0.08 0.02 0.00 0.00 176.95 177.88 1ngs s VAL 466 N 0.95 5.62 -0.73 4.03 1.01 -0.11 -0.46 120.40 130.71 1ngs s VAL 466 Ca 0.05 -2.79 -0.19 0.00 0.00 0.00 0.00 61.98 59.04 1ngs s VAL 466 Cb -0.14 -4.45 0.11 0.00 0.00 0.00 0.00 36.38 31.91 1ngs s VAL 466 CO 0.03 -1.07 0.90 0.00 0.00 0.00 0.00 175.10 174.96 1ngs s ALA 467 N -0.28 3.39 0.87 5.51 0.00 -0.32 -2.48 121.76 128.45 1ngs s ALA 467 Ca 0.22 -2.40 -0.10 0.00 0.00 0.00 0.00 51.96 49.68 1ngs s ALA 467 Cb -0.10 -3.76 0.17 0.00 0.00 0.00 0.00 23.12 19.43 1ngs s ALA 467 CO -0.09 -2.63 1.19 0.95 0.00 0.00 0.00 175.76 175.18 1ngs s THR 468 N 2.77 2.04 -1.13 0.00 -4.23 -0.64 -1.09 115.64 113.37 1ngs s THR 468 Ca 0.21 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 1ngs s THR 468 Cb -0.15 -2.79 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1ngs s THR 468 CO 0.01 0.00 0.84 1.41 -0.54 0.00 0.00 174.62 176.34 1ngs n HIS 469 N -3.39 -2.15 0.74 3.99 8.25 -0.64 -0.02 115.22 122.00 1ngs n HIS 469 Ca 0.15 0.70 0.08 0.00 -0.26 0.00 0.00 57.72 58.39 1ngs n HIS 469 Cb 0.60 -3.93 0.40 0.00 1.12 0.00 0.00 29.99 28.18 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 -2.98 0.00 -0.52 0.41 5.75 -0.96 -4.34 116.55 113.91 1ngs n ASP 470 Ca -0.12 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1ngs n ASP 470 Cb 0.62 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 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 -1.32 0.00 0.00 -1.12 3.41 -1.26 -4.53 113.62 108.79 1ngs n SER 471 Ca 0.07 -0.52 0.02 0.00 -0.26 0.00 0.00 58.87 58.18 1ngs n SER 471 Cb 0.14 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.19 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 1.45 0.32 -1.33 -5.35 -1.26 -0.43 119.36 112.76 1ngs n ILE 472 Ca 0.00 0.36 0.11 0.00 -0.27 0.00 0.00 62.75 62.95 1ngs n ILE 472 Cb 0.00 -1.29 0.49 0.00 -1.74 0.00 0.00 39.64 37.10 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 -1.02 -1.11 0.38 3.28 0.00 -1.26 -1.40 105.19 104.06 1ngs n GLY 473 Ca 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 1.25 0.00 1.61 2.07 -1.08 -3.41 116.25 116.69 1ngs h VAL 474 Ca 0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1ngs h VAL 474 Cb 0.23 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 29.81 1ngs h VAL 474 CO 0.00 0.25 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1ngs n GLY 475 N -1.37 1.18 0.35 2.17 0.00 -0.49 -4.40 105.19 102.62 1ngs n GLY 475 Ca 0.12 -0.84 0.18 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 -0.02 1.61 3.07 -1.57 -2.28 114.58 115.39 1ngs h GLU 476 Ca 0.00 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.87 1ngs h GLU 476 Cb 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1ngs h GLU 476 CO 0.00 0.00 0.02 -0.44 -1.40 0.00 0.00 179.01 177.19 1ngs h ASP 477 N 0.00 0.00 -4.54 1.42 3.32 -1.88 -3.41 116.42 111.33 1ngs h ASP 477 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1ngs h ASP 477 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 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 -1.50 -2.69 0.37 2.75 0.00 -0.86 -4.56 105.19 98.70 1ngs n GLY 478 Ca -0.02 -1.81 0.16 0.00 0.00 0.00 0.00 46.02 44.35 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 0.23 0.00 1.61 0.13 -1.82 0.09 132.00 132.24 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 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.08 1ngs h PRO 479 CO 0.00 0.15 0.00 0.25 -0.23 0.00 0.00 178.00 178.17 1ngs n THR 480 N -4.44 0.90 0.01 1.56 -2.24 -1.26 -3.36 114.28 105.44 1ngs n THR 480 Ca 0.11 0.32 0.02 0.00 -2.27 0.00 0.00 64.05 62.23 1ngs n THR 480 Cb 0.51 -1.25 -0.04 0.00 -2.10 0.00 0.00 70.33 67.45 1ngs n THR 480 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ngs n HIS 481 N -2.18 0.00 -2.92 4.78 8.25 -0.03 -5.00 115.22 118.11 1ngs n HIS 481 Ca 0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.06 1ngs n HIS 481 Cb 0.19 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.30 4.02 0.42 -0.41 -0.21 -0.89 -4.57 119.66 115.72 1ngs s GLN 482 Ca -0.02 0.69 -0.25 0.00 0.02 0.00 0.00 55.36 55.81 1ngs s GLN 482 Cb 0.03 -3.71 -0.08 0.00 1.00 0.00 0.00 33.01 30.25 1ngs s GLN 482 CO 0.20 -0.64 1.21 -2.14 -2.12 0.00 0.00 175.29 171.80 1ngs s PRO 483 N 2.95 3.90 0.02 2.91 0.02 -1.26 -4.77 135.00 138.77 1ngs s PRO 483 Ca 0.33 1.93 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1ngs s PRO 483 Cb -0.14 -2.60 0.00 0.00 0.02 0.00 0.00 34.50 31.77 1ngs s PRO 483 CO 0.11 -0.48 0.00 -0.89 -0.33 0.00 0.00 177.00 175.42 1ngs n ILE 484 N -0.12 0.06 0.99 2.83 2.08 -1.26 -4.62 119.36 119.32 1ngs n ILE 484 Ca 0.05 0.02 0.10 0.00 0.56 0.00 0.00 62.75 63.48 1ngs n ILE 484 Cb 0.46 -0.98 -0.10 0.00 -0.75 0.00 0.00 39.64 38.27 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 -2.81 0.25 -0.10 0.38 0.00 -1.26 -0.34 120.64 116.76 1ngs n GLU 485 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 57.16 56.89 1ngs n GLU 485 Cb 0.21 -1.49 -0.04 0.00 0.00 0.00 0.00 31.44 30.12 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 0.41 0.15 -0.40 3.84 2.02 -1.96 -0.77 112.91 116.20 1ngs h THR 486 Ca 0.00 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.07 1ngs h THR 486 Cb 0.54 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 1ngs h THR 486 CO 0.00 0.00 -0.19 -0.07 0.37 0.00 0.00 175.52 175.63 1ngs h LEU 487 N -0.34 0.86 -0.77 2.58 3.38 -1.97 -2.18 115.31 116.87 1ngs h LEU 487 Ca 0.14 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.77 1ngs h LEU 487 Cb 0.58 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1ngs h LEU 487 CO -0.53 1.07 0.45 0.00 0.09 0.00 0.00 178.44 179.51 1ngs h ALA 488 N 0.82 1.06 0.81 1.53 0.00 -1.82 0.23 119.26 121.89 1ngs h ALA 488 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ngs h ALA 488 Cb 0.75 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ngs h ALA 488 CO 0.06 0.12 -0.45 1.25 0.00 0.00 0.00 179.25 180.23 1ngs h HIS 489 N 0.79 -1.20 0.00 0.00 -0.00 -0.88 -2.99 115.15 110.87 1ngs h HIS 489 Ca 0.35 -0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1ngs h HIS 489 Cb 0.24 0.42 -0.00 0.00 -0.00 0.00 0.00 27.41 28.07 1ngs h HIS 489 CO -0.06 -0.69 -0.02 0.74 -0.00 0.00 0.00 177.93 177.89 1ngs h PHE 490 N -1.17 0.00 -0.00 5.26 0.04 -0.89 -0.69 116.94 119.49 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 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1ngs h PHE 490 CO -0.05 0.02 -0.10 0.54 -0.60 0.00 0.00 178.31 178.12 1ngs n ARG 491 N -3.19 0.73 -0.00 1.51 1.74 0.78 -3.03 116.66 115.19 1ngs n ARG 491 Ca -0.02 -0.24 0.11 0.00 -0.77 0.00 0.00 57.85 56.93 1ngs n ARG 491 Cb 0.18 -1.50 -0.12 0.00 -1.02 0.00 0.00 32.46 30.01 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 -0.93 0.60 -4.69 0.55 7.64 -0.27 -4.91 113.62 111.61 1ngs n SER 492 Ca 0.15 -0.55 -0.40 0.00 1.01 0.00 0.00 58.87 59.08 1ngs n SER 492 Cb 0.27 1.32 -0.05 0.00 -1.01 0.00 0.00 64.21 64.74 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 -3.64 4.24 0.51 -3.43 2.96 -1.17 -5.05 118.68 113.10 1ngs s LEU 493 Ca 0.02 1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 54.79 1ngs s LEU 493 Cb 0.15 -3.05 -0.06 0.00 0.50 0.00 0.00 46.19 43.73 1ngs s LEU 493 CO 0.87 -0.22 1.18 -2.84 -1.32 0.00 0.00 176.35 174.03 1ngs s PRO 494 N 1.39 3.46 -0.97 0.98 0.02 -1.26 -4.21 135.00 134.41 1ngs s PRO 494 Ca 0.35 1.79 -0.04 0.00 0.02 0.00 0.00 61.00 63.12 1ngs s PRO 494 Cb -0.17 -2.21 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 1ngs s PRO 494 CO 0.14 -0.80 0.84 -1.71 -0.33 0.00 0.00 177.00 175.14 1ngs n ASN 495 N -0.93 -4.94 -3.64 2.53 5.15 -1.26 -4.67 115.26 107.49 1ngs n ASN 495 Ca 0.10 -0.61 -0.05 0.00 -0.60 0.00 0.00 54.58 53.42 1ngs n ASN 495 Cb 0.49 -4.68 -0.06 0.00 -0.53 0.00 0.00 39.78 35.00 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 -3.34 -0.32 0.15 -1.44 2.07 -1.26 -4.22 121.20 112.83 1ngs s ILE 496 Ca 0.29 0.00 -0.29 0.00 -1.41 0.00 0.00 60.65 59.24 1ngs s ILE 496 Cb -0.04 -1.00 -0.07 0.00 0.13 0.00 0.00 42.46 41.48 1ngs s ILE 496 CO 0.66 0.00 0.90 -1.10 -1.91 0.00 0.00 174.94 173.48 1ngs s GLN 497 N 2.04 4.69 -0.54 3.50 -0.21 -0.90 -4.71 119.66 123.53 1ngs s GLN 497 Ca -0.09 1.36 0.04 0.00 0.02 0.00 0.00 55.36 56.69 1ngs s GLN 497 Cb -0.07 -3.33 0.16 0.00 1.00 0.00 0.00 33.01 30.76 1ngs s GLN 497 CO -0.19 0.36 0.36 0.08 -2.12 0.00 0.00 175.29 173.78 1ngs s VAL 498 N -0.51 1.83 0.24 1.09 1.01 -1.26 -2.07 120.40 120.73 1ngs s VAL 498 Ca 0.42 -3.30 -0.30 0.00 0.00 0.00 0.00 61.98 58.81 1ngs s VAL 498 Cb -0.24 -2.24 -0.09 0.00 0.00 0.00 0.00 36.38 33.82 1ngs s VAL 498 CO 0.29 -1.01 1.03 0.26 0.00 0.00 0.00 175.10 175.67 1ngs s TRP 499 N -0.46 3.75 -0.41 5.22 0.52 -0.26 -4.40 118.94 122.90 1ngs s TRP 499 Ca 0.24 1.78 0.08 0.00 0.02 0.00 0.00 56.10 58.21 1ngs s TRP 499 Cb -0.10 -3.16 0.26 0.00 -1.15 0.00 0.00 33.47 29.31 1ngs s TRP 499 CO -0.11 -0.14 0.62 -2.13 0.02 0.00 0.00 176.95 175.21 1ngs n ARG 500 N 1.53 0.75 -1.69 4.98 0.63 0.01 -0.81 116.66 122.06 1ngs n ARG 500 Ca -0.01 -2.92 -0.41 0.00 -0.92 0.00 0.00 57.85 53.59 1ngs n ARG 500 Cb 0.46 -1.29 0.01 0.00 0.45 0.00 0.00 32.46 32.09 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 1.36 1.87 -0.05 -0.14 -0.04 -1.26 -0.92 135.00 135.83 1ngs n PRO 501 Ca 0.19 0.67 -0.09 0.00 -0.04 0.00 0.00 63.50 64.23 1ngs n PRO 501 Cb 0.56 -2.33 -0.15 0.00 -0.04 0.00 0.00 33.50 31.54 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 -0.18 1.51 -3.04 0.55 0.00 -1.26 -4.42 120.51 113.67 1ngs n ALA 502 Ca 0.07 -0.95 -0.00 0.00 0.00 0.00 0.00 53.44 52.56 1ngs n ALA 502 Cb 0.39 -0.64 -0.00 0.00 0.00 0.00 0.00 19.45 19.20 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 -2.94 -0.06 -0.23 0.00 5.75 -1.26 -4.78 116.55 113.02 1ngs n ASP 503 Ca -0.22 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.49 1ngs n ASP 503 Cb 1.08 0.11 0.12 0.00 -1.03 0.00 0.00 41.12 41.40 1ngs n ASP 503 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ngs h GLY 504 N 0.08 1.00 1.61 6.12 0.00 -1.93 -1.76 103.07 108.18 1ngs h GLY 504 Ca -0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1ngs h GLY 504 CO 0.02 0.07 -0.32 3.43 0.00 0.00 0.00 176.54 179.74 1ngs h ASN 505 N 0.59 0.46 0.72 0.19 2.35 -1.91 -2.67 115.58 115.31 1ngs h ASN 505 Ca 0.33 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.78 1ngs h ASN 505 Cb 0.32 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1ngs h ASN 505 CO -0.25 0.76 -0.58 -0.33 -1.65 0.00 0.00 177.43 175.37 1ngs h GLU 506 N 0.39 0.00 -0.24 0.81 5.08 -1.71 -2.77 114.58 116.14 1ngs h GLU 506 Ca 0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1ngs h GLU 506 Cb 0.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1ngs h GLU 506 CO 0.06 0.58 -0.51 0.28 -1.00 0.00 0.00 179.01 178.42 1ngs h VAL 507 N 0.00 1.30 -0.29 3.13 2.07 -1.01 -1.30 116.25 120.14 1ngs h VAL 507 Ca -0.01 -1.73 -0.08 0.00 0.82 0.00 0.00 66.70 65.71 1ngs h VAL 507 Cb 1.10 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.52 1ngs h VAL 507 CO 0.08 0.55 -0.14 0.28 0.02 0.00 0.00 177.57 178.35 1ngs h SER 508 N 0.52 0.50 0.20 0.57 0.02 -1.41 -0.41 113.55 113.54 1ngs h SER 508 Ca 0.02 -0.14 -0.18 0.00 -0.84 0.00 0.00 61.79 60.66 1ngs h SER 508 Cb 1.07 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.47 1ngs h SER 508 CO 0.10 0.67 -0.68 0.00 -1.14 0.00 0.00 176.83 175.78 1ngs h ALA 509 N 1.38 0.63 -0.33 3.77 0.00 -1.34 -0.16 119.26 123.21 1ngs h ALA 509 Ca 0.08 -0.58 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 1ngs h ALA 509 Cb 0.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1ngs h ALA 509 CO 0.03 0.74 0.10 0.00 0.00 0.00 0.00 179.25 180.12 1ngs h ALA 510 N 0.95 0.43 -0.11 0.00 0.00 -0.71 -1.76 119.26 118.06 1ngs h ALA 510 Ca -0.02 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1ngs h ALA 510 Cb 1.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ngs h ALA 510 CO 0.12 0.07 -0.54 1.88 0.00 0.00 0.00 179.25 180.78 1ngs h TYR 511 N 0.37 0.38 -0.25 0.00 0.05 -1.00 -2.11 116.97 114.42 1ngs h TYR 511 Ca 0.11 -0.13 -0.17 0.00 0.05 0.00 0.00 58.73 58.59 1ngs h TYR 511 Cb 0.25 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 37.92 1ngs h TYR 511 CO 0.01 0.78 -0.49 1.57 -1.05 0.00 0.00 178.16 178.98 1ngs h LYS 512 N 0.24 0.77 -0.38 4.88 2.10 -0.87 -1.79 116.57 121.53 1ngs h LYS 512 Ca 0.00 -0.50 -0.14 0.00 -2.00 0.00 0.00 60.65 58.02 1ngs h LYS 512 Cb 1.03 0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1ngs h LYS 512 CO 0.09 1.12 -0.32 -0.91 -2.00 0.00 0.00 179.45 177.43 1ngs h ASN 513 N 0.51 0.88 -0.30 7.07 4.21 -1.33 -1.01 115.58 125.61 1ngs h ASN 513 Ca 0.01 -0.37 -0.06 0.00 1.21 0.00 0.00 56.30 57.09 1ngs h ASN 513 Cb 1.10 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 38.05 1ngs h ASN 513 CO 0.11 1.12 -0.05 0.28 -1.29 0.00 0.00 177.43 177.61 1ngs h SER 514 N 0.70 0.56 0.09 5.81 0.02 -1.37 -2.22 113.55 117.14 1ngs h SER 514 Ca 0.07 -0.35 -0.18 0.00 -0.84 0.00 0.00 61.79 60.50 1ngs h SER 514 Cb 0.88 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 1ngs h SER 514 CO 0.08 0.77 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.83 1ngs h LEU 515 N 0.33 0.60 -0.55 5.07 3.38 -1.32 -3.00 115.31 119.83 1ngs h LEU 515 Ca 0.08 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ngs h LEU 515 Cb 0.52 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.09 1ngs h LEU 515 CO 0.02 1.09 0.00 -0.33 0.09 0.00 0.00 178.44 179.31 1ngs h GLU 516 N 0.38 0.00 -6.71 1.13 5.08 -1.17 -3.45 114.58 109.84 1ngs h GLU 516 Ca -0.01 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.82 1ngs h GLU 516 Cb 1.20 0.00 0.04 0.00 0.50 0.00 0.00 28.75 30.49 1ngs h GLU 516 CO 0.12 0.00 0.67 0.45 -1.00 0.00 0.00 179.01 179.25 1ngs s SER 517 N -4.56 6.85 -0.02 1.42 0.15 -0.84 -4.95 113.70 111.75 1ngs s SER 517 Ca 0.06 2.47 0.14 0.00 0.70 0.00 0.00 55.95 59.32 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 0.48 -0.55 0.35 0.29 1.20 0.00 0.00 173.24 175.01 1ngs n LYS 518 N 2.42 0.70 0.00 5.44 5.02 -1.26 -4.73 118.16 125.75 1ngs n LYS 518 Ca 0.06 -0.11 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 1ngs n LYS 518 Cb 0.42 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 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 -1.91 0.00 -3.94 2.13 8.25 -1.26 -4.41 115.22 114.08 1ngs n HIS 519 Ca -0.02 -0.03 -0.27 0.00 -0.26 0.00 0.00 57.72 57.14 1ngs n HIS 519 Cb 0.35 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.29 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 -0.06 1.01 1.13 1.59 2.01 -1.26 -4.18 115.64 115.87 1ngs s THR 520 Ca 0.00 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.54 1ngs s THR 520 Cb 0.00 -1.03 0.25 0.00 0.01 0.00 0.00 72.50 71.73 1ngs s THR 520 CO 0.00 0.36 1.12 -2.16 -0.69 0.00 0.00 174.62 173.26 1ngs s PRO 521 N 1.65 -0.62 0.04 4.92 0.04 -1.21 -4.35 135.00 135.48 1ngs s PRO 521 Ca 0.04 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 60.98 1ngs s PRO 521 Cb -0.13 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1ngs s PRO 521 CO -0.07 -3.34 0.33 0.45 0.04 0.00 0.00 177.00 174.41 1ngs s SER 522 N -3.87 -0.16 -0.08 6.66 0.15 0.34 -2.13 113.70 114.61 1ngs s SER 522 Ca 0.69 -0.13 -0.01 0.00 0.70 0.00 0.00 55.95 57.21 1ngs s SER 522 Cb -0.12 0.37 0.03 0.00 -1.71 0.00 0.00 66.02 64.59 1ngs s SER 522 CO 0.56 -0.62 -0.03 -0.63 1.20 0.00 0.00 173.24 173.73 1ngs s ILE 523 N -2.45 0.60 -0.37 6.45 1.01 -0.88 -0.44 121.20 125.12 1ngs s ILE 523 Ca -0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1ngs s ILE 523 Cb -0.01 -0.70 0.07 0.00 0.01 0.00 0.00 42.46 41.83 1ngs s ILE 523 CO -0.03 0.29 0.16 -0.63 0.00 0.00 0.00 174.94 174.73 1ngs s ILE 524 N 1.76 3.64 -0.33 2.92 1.01 0.39 -1.10 121.20 129.49 1ngs s ILE 524 Ca 0.03 -1.50 -0.28 0.00 0.00 0.00 0.00 60.65 58.90 1ngs s ILE 524 Cb -0.13 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.13 1ngs s ILE 524 CO -0.05 -0.40 1.01 0.00 0.00 0.00 0.00 174.94 175.50 1ngs s ALA 525 N 1.31 3.48 0.07 9.38 0.00 0.01 -1.17 121.76 134.85 1ngs s ALA 525 Ca 0.02 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.87 1ngs s ALA 525 Cb -0.21 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1ngs s ALA 525 CO 0.00 -1.48 -0.13 -0.51 0.00 0.00 0.00 175.76 173.64 1ngs s LEU 526 N 3.54 2.89 0.55 0.00 1.43 -0.25 -4.18 118.68 122.66 1ngs s LEU 526 Ca 0.42 -0.39 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 1ngs s LEU 526 Cb -0.12 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1ngs s LEU 526 CO 0.16 0.21 0.97 -0.94 0.23 0.00 0.00 176.35 176.99 1ngs s SER 527 N -1.87 6.42 -0.17 2.29 1.04 -1.26 -1.62 113.70 118.53 1ngs s SER 527 Ca 0.18 1.42 -0.17 0.00 0.48 0.00 0.00 55.95 57.87 1ngs s SER 527 Cb -0.11 -2.46 -0.22 0.00 0.10 0.00 0.00 66.02 63.33 1ngs s SER 527 CO 0.10 -0.69 0.31 -0.09 0.98 0.00 0.00 173.24 173.84 1ngs h ARG 528 N 0.36 0.11 -7.40 4.02 2.43 -1.93 -2.99 114.38 108.98 1ngs h ARG 528 Ca -0.46 -0.19 -0.49 0.00 -0.81 0.00 0.00 59.98 58.03 1ngs h ARG 528 Cb 1.19 0.07 0.11 0.00 -0.42 0.00 0.00 29.97 30.91 1ngs h ARG 528 CO 0.62 1.09 0.35 1.14 -1.51 0.00 0.00 179.97 181.66 1ngs s GLN 529 N -2.43 2.36 0.13 0.20 0.00 -1.26 -4.74 119.66 113.92 1ngs s GLN 529 Ca -0.26 0.71 -0.30 0.00 -0.00 0.00 0.00 55.36 55.51 1ngs s GLN 529 Cb 0.06 -1.94 -0.07 0.00 0.00 0.00 0.00 33.01 31.06 1ngs s GLN 529 CO 0.67 -1.44 1.09 -0.80 0.00 0.00 0.00 175.29 174.80 1ngs s ASN 530 N -3.91 7.28 -0.00 12.60 0.01 -1.26 -3.99 114.94 125.67 1ngs s ASN 530 Ca 0.60 1.99 0.05 0.00 -0.71 0.00 0.00 52.86 54.79 1ngs s ASN 530 Cb -0.14 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.91 1ngs s ASN 530 CO 0.54 -0.25 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.97 1ngs s LEU 531 N 0.07 2.05 0.92 0.60 1.43 -0.94 -4.88 118.68 117.94 1ngs s LEU 531 Ca 0.51 -0.31 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 1ngs s LEU 531 Cb -0.28 -0.78 0.15 0.00 0.03 0.00 0.00 46.19 45.31 1ngs s LEU 531 CO 0.32 0.17 1.21 -2.16 0.23 0.00 0.00 176.35 176.12 1ngs s PRO 532 N -0.49 1.02 -0.14 1.29 0.04 -1.26 -1.19 135.00 134.27 1ngs s PRO 532 Ca 0.06 -0.02 -0.19 0.00 0.04 0.00 0.00 61.00 60.88 1ngs s PRO 532 Cb -0.06 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1ngs s PRO 532 CO -0.00 -2.22 0.53 -0.65 0.04 0.00 0.00 177.00 174.70 1ngs s GLN 533 N -5.58 4.30 0.25 4.56 -1.52 -1.26 -4.68 119.66 115.73 1ngs s GLN 533 Ca 0.67 0.51 -0.22 0.00 -1.95 0.00 0.00 55.36 54.37 1ngs s GLN 533 Cb -0.10 -3.48 -0.09 0.00 -0.22 0.00 0.00 33.01 29.12 1ngs s GLN 533 CO 0.52 0.03 0.80 -0.51 -0.25 0.00 0.00 175.29 175.88 1ngs s LEU 534 N 1.03 4.36 -0.58 2.90 1.43 -1.26 -4.52 118.68 122.03 1ngs s LEU 534 Ca 0.27 1.58 -0.22 0.00 -1.03 0.00 0.00 54.13 54.73 1ngs s LEU 534 Cb -0.16 -3.70 0.07 0.00 0.03 0.00 0.00 46.19 42.43 1ngs s LEU 534 CO 0.11 0.02 0.84 -0.70 0.23 0.00 0.00 176.35 176.84 1ngs s GLU 535 N -1.93 3.16 0.00 1.70 2.56 -1.26 -3.73 118.70 119.20 1ngs s GLU 535 Ca 0.45 -0.78 0.00 0.00 0.00 0.00 0.00 54.97 54.64 1ngs s GLU 535 Cb -0.18 -4.16 0.00 0.00 2.00 0.00 0.00 34.13 31.79 1ngs s GLU 535 CO 0.22 -1.55 0.00 0.41 -0.56 0.00 0.00 175.26 173.79 1ngs n GLY 536 N 5.23 0.58 3.92 -1.50 0.00 -1.26 -4.86 105.19 107.29 1ngs n GLY 536 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.56 5.07 -0.20 1.61 1.04 -1.24 -4.84 113.70 114.58 1ngs s SER 537 Ca 0.00 0.59 -0.32 0.00 0.48 0.00 0.00 55.95 56.70 1ngs s SER 537 Cb 0.00 -1.34 0.15 0.00 0.10 0.00 0.00 66.02 64.93 1ngs s SER 537 CO 0.00 -1.44 1.20 -0.94 0.98 0.00 0.00 173.24 173.04 1ngs s SER 538 N -4.45 -0.16 0.14 7.02 1.04 -1.26 -5.01 113.70 111.02 1ngs s SER 538 Ca 0.58 0.09 -0.14 0.00 0.48 0.00 0.00 55.95 56.96 1ngs s SER 538 Cb -0.11 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.18 1ngs s SER 538 CO 0.45 -0.21 1.66 0.40 0.98 0.00 0.00 173.24 176.52 1ngs h ILE 539 N 2.13 1.22 -0.25 -1.02 2.04 -1.97 0.49 117.51 120.15 1ngs h ILE 539 Ca -0.11 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.01 1ngs h ILE 539 Cb 1.17 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1ngs h ILE 539 CO 0.25 0.27 0.14 -0.33 0.00 0.00 0.00 178.15 178.48 1ngs h GLU 540 N 0.60 0.29 -0.16 2.37 3.07 -1.96 0.95 114.58 119.73 1ngs h GLU 540 Ca 0.15 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 1ngs h GLU 540 Cb 0.27 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1ngs h GLU 540 CO -0.00 0.19 -0.41 0.77 -1.40 0.00 0.00 179.01 178.15 1ngs h SER 541 N 0.30 0.64 0.22 1.42 0.02 -1.94 -3.12 113.55 111.08 1ngs h SER 541 Ca 0.10 -0.58 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1ngs h SER 541 Cb -0.00 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 1ngs h SER 541 CO -0.05 1.10 -0.15 0.00 -1.14 0.00 0.00 176.83 176.60 1ngs h ALA 542 N 0.55 1.56 -0.00 3.77 0.00 -0.70 -1.61 119.26 122.84 1ngs h ALA 542 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ngs h ALA 542 Cb 1.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ngs h ALA 542 CO 0.09 0.18 0.00 0.77 0.00 0.00 0.00 179.25 180.30 1ngs h SER 543 N 0.00 0.00 0.17 0.00 0.02 -0.74 -0.34 113.55 112.66 1ngs h SER 543 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ngs h SER 543 Cb 0.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1ngs h SER 543 CO 0.02 0.00 -0.01 0.29 -1.14 0.00 0.00 176.83 175.99 1ngs n LYS 544 N -3.20 0.88 0.00 3.45 5.02 -0.60 -4.92 118.16 118.79 1ngs n LYS 544 Ca -0.03 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1ngs n LYS 544 Cb 0.07 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 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 1.10 2.78 3.63 0.72 0.00 -0.14 -3.32 105.19 109.97 1ngs n GLY 545 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.70 -0.39 0.19 -0.02 0.00 -1.26 -1.82 107.32 103.31 1ngs s GLY 546 Ca 0.00 2.35 -0.20 0.00 0.00 0.00 0.00 44.72 46.87 1ngs s GLY 546 CO 0.00 1.90 0.57 -2.52 0.00 0.00 0.00 173.10 173.05 1ngs s TYR 547 N 0.52 -0.31 -0.44 1.90 1.13 -0.10 -4.97 117.35 115.09 1ngs s TYR 547 Ca -0.01 -0.00 -0.29 0.00 -1.41 0.00 0.00 57.07 55.37 1ngs s TYR 547 Cb -0.05 0.50 0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1ngs s TYR 547 CO -0.05 -0.92 1.12 0.08 -2.51 0.00 0.00 175.55 173.27 1ngs s VAL 548 N -3.82 4.29 -0.07 -3.49 1.01 -1.26 -1.26 120.40 115.79 1ngs s VAL 548 Ca 0.06 1.36 -0.26 0.00 0.00 0.00 0.00 61.98 63.13 1ngs s VAL 548 Cb -0.02 -4.55 -0.24 0.00 0.00 0.00 0.00 36.38 31.57 1ngs s VAL 548 CO -0.06 -0.87 0.98 0.25 0.00 0.00 0.00 175.10 175.40 1ngs h LEU 549 N 10.91 0.13 -7.94 3.92 5.85 -1.25 -3.46 115.31 123.47 1ngs h LEU 549 Ca -0.22 -0.81 -0.46 0.00 0.84 0.00 0.00 57.88 57.23 1ngs h LEU 549 Cb 1.06 -0.04 -0.32 0.00 0.37 0.00 0.00 40.66 41.73 1ngs h LEU 549 CO 1.10 0.92 -0.79 -1.10 -0.34 0.00 0.00 178.44 178.23 1ngs s GLN 550 N -2.99 1.18 0.21 1.25 -0.21 -0.85 -4.67 119.66 113.58 1ngs s GLN 550 Ca -0.17 -0.31 0.11 0.00 0.02 0.00 0.00 55.36 55.01 1ngs s GLN 550 Cb -0.00 -1.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.90 1ngs s GLN 550 CO 0.72 0.06 -0.21 0.34 -2.12 0.00 0.00 175.29 174.08 1ngs s ASP 551 N 0.46 3.62 0.06 5.90 -1.08 -1.26 -1.05 116.67 123.31 1ngs s ASP 551 Ca -0.08 -0.84 -0.05 0.00 -0.52 0.00 0.00 52.55 51.06 1ngs s ASP 551 Cb -0.12 -0.35 -0.02 0.00 -1.46 0.00 0.00 42.92 40.97 1ngs s ASP 551 CO 0.01 0.10 0.07 0.68 0.52 0.00 0.00 175.17 176.56 1ngs s VAL 552 N -1.82 0.17 -0.04 1.11 -7.23 -1.26 -4.97 120.40 106.35 1ngs s VAL 552 Ca 0.23 -1.40 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 1ngs s VAL 552 Cb -0.08 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 1ngs s VAL 552 CO 0.12 -0.77 0.64 0.00 -0.31 0.00 0.00 175.10 174.78 1ngs s ALA 553 N -3.48 3.40 -0.98 1.32 0.00 -1.26 -4.19 121.76 116.57 1ngs s ALA 553 Ca 0.03 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1ngs s ALA 553 Cb 0.04 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1ngs s ALA 553 CO -0.09 0.01 0.84 0.09 0.00 0.00 0.00 175.76 176.61 1ngs n ASN 554 N 3.34 -6.71 -4.76 0.00 3.02 -1.26 -4.92 115.26 103.98 1ngs n ASN 554 Ca -0.04 -0.60 -0.37 0.00 -0.03 0.00 0.00 54.58 53.55 1ngs n ASN 554 Cb 0.51 -4.87 0.03 0.00 -0.61 0.00 0.00 39.78 34.84 1ngs n ASN 554 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ngs s PRO 555 N -4.29 3.15 0.18 3.52 0.04 -1.26 -4.81 135.00 131.53 1ngs s PRO 555 Ca 0.33 1.89 0.23 0.00 0.04 0.00 0.00 61.00 63.49 1ngs s PRO 555 Cb -0.06 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.50 1ngs s PRO 555 CO 0.77 -1.08 1.12 -0.44 0.04 0.00 0.00 177.00 177.40 1ngs h ASP 556 N 1.20 0.00 -5.00 6.66 3.32 0.77 -3.48 116.42 119.89 1ngs h ASP 556 Ca -0.50 -0.08 -0.05 0.00 0.02 0.00 0.00 57.03 56.42 1ngs h ASP 556 Cb 1.29 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.66 1ngs h ASP 556 CO 0.56 0.04 0.19 -0.51 -1.72 0.00 0.00 179.24 177.81 1ngs s ILE 557 N -3.30 0.00 -0.18 0.35 2.07 -1.15 -4.43 121.20 114.55 1ngs s ILE 557 Ca 0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.23 1ngs s ILE 557 Cb 0.11 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.69 1ngs s ILE 557 CO 0.77 0.00 -0.08 -0.63 -1.91 0.00 0.00 174.94 173.09 1ngs s ILE 558 N -1.58 3.26 -0.31 2.00 1.01 -0.40 -1.87 121.20 123.32 1ngs s ILE 558 Ca -0.09 -0.55 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1ngs s ILE 558 Cb -0.00 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1ngs s ILE 558 CO 0.06 0.47 0.16 -0.76 0.00 0.00 0.00 174.94 174.88 1ngs s LEU 559 N 0.97 4.12 -0.19 2.97 1.43 0.23 -1.45 118.68 126.77 1ngs s LEU 559 Ca -0.01 -0.44 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 1ngs s LEU 559 Cb -0.15 -2.03 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1ngs s LEU 559 CO -0.00 -0.18 0.02 -0.69 0.23 0.00 0.00 176.35 175.73 1ngs s VAL 560 N 1.64 4.19 0.21 -1.59 1.01 -0.54 -0.13 120.40 125.20 1ngs s VAL 560 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 1ngs s VAL 560 Cb -0.17 -2.89 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 1ngs s VAL 560 CO 0.07 0.44 0.12 0.00 0.00 0.00 0.00 175.10 175.73 1ngs s ALA 561 N 0.77 1.30 0.11 5.51 0.00 -0.74 -0.04 121.76 128.66 1ngs s ALA 561 Ca 0.01 -1.74 0.01 0.00 0.00 0.00 0.00 51.96 50.24 1ngs s ALA 561 Cb -0.14 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.24 1ngs s ALA 561 CO 0.02 -0.56 -0.03 0.95 0.00 0.00 0.00 175.76 176.14 1ngs s THR 562 N -4.06 0.52 0.00 0.00 -4.23 -1.24 -1.88 115.64 104.75 1ngs s THR 562 Ca 0.39 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1ngs s THR 562 Cb 0.07 -1.79 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1ngs s THR 562 CO 0.12 -0.76 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 1ngs n GLY 563 N -0.06 2.63 0.13 3.99 0.00 -0.10 -1.48 105.19 110.29 1ngs n GLY 563 Ca -0.10 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.08 1ngs n GLY 563 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ngs n SER 564 N 1.78 0.49 -0.00 1.61 3.41 -1.26 -2.73 113.62 116.91 1ngs n SER 564 Ca 0.00 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1ngs n SER 564 Cb 0.00 -0.77 0.32 0.00 -0.26 0.00 0.00 64.21 63.50 1ngs n SER 564 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1ngs n GLU 565 N -2.12 0.01 0.05 4.33 4.71 -0.55 -3.98 120.64 123.11 1ngs n GLU 565 Ca -0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 57.16 57.01 1ngs n GLU 565 Cb 0.08 -1.50 -0.08 0.00 -1.01 0.00 0.00 31.44 28.93 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 0.02 1.06 -0.34 2.62 2.07 -1.57 -0.03 116.25 120.08 1ngs h VAL 566 Ca 0.00 -0.47 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1ngs h VAL 566 Cb 0.50 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 1ngs h VAL 566 CO 0.00 0.12 0.15 0.77 0.02 0.00 0.00 177.57 178.62 1ngs h SER 567 N -0.31 0.19 -0.90 0.57 4.64 -1.79 0.11 113.55 116.06 1ngs h SER 567 Ca -0.01 0.03 0.07 0.00 -0.47 0.00 0.00 61.79 61.40 1ngs h SER 567 Cb 0.27 -0.01 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 1ngs h SER 567 CO 0.02 0.15 0.56 0.25 -0.87 0.00 0.00 176.83 176.94 1ngs h LEU 568 N 0.31 0.88 -0.87 5.97 5.85 -1.66 0.22 115.31 126.01 1ngs h LEU 568 Ca 0.15 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 1ngs h LEU 568 Cb 0.09 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1ngs h LEU 568 CO -0.13 0.55 -0.17 0.28 -0.34 0.00 0.00 178.44 178.64 1ngs h SER 569 N 1.01 0.65 -0.81 1.25 0.02 -0.22 0.15 113.55 115.60 1ngs h SER 569 Ca 0.40 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1ngs h SER 569 Cb 0.20 -0.18 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1ngs h SER 569 CO -0.18 0.83 0.41 0.58 -1.14 0.00 0.00 176.83 177.33 1ngs h VAL 570 N 0.59 1.25 -0.36 2.27 2.07 0.84 -0.13 116.25 122.78 1ngs h VAL 570 Ca 0.10 -0.67 -0.11 0.00 0.82 0.00 0.00 66.70 66.84 1ngs h VAL 570 Cb 0.62 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1ngs h VAL 570 CO 0.04 0.29 -0.19 -0.08 0.02 0.00 0.00 177.57 177.65 1ngs h GLU 571 N 1.14 0.76 -0.30 1.57 4.57 -0.35 -2.68 114.58 119.29 1ngs h GLU 571 Ca 0.28 -0.34 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 1ngs h GLU 571 Cb 0.09 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1ngs h GLU 571 CO -0.04 0.95 0.03 0.00 -1.18 0.00 0.00 179.01 178.77 1ngs h ALA 572 N 0.78 1.50 0.00 2.92 0.00 -0.26 -1.59 119.26 122.62 1ngs h ALA 572 Ca 0.08 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1ngs h ALA 572 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1ngs h ALA 572 CO 0.06 0.36 -0.46 0.00 0.00 0.00 0.00 179.25 179.21 1ngs h ALA 573 N 1.61 1.19 -0.27 0.00 0.00 -0.81 -0.22 119.26 120.76 1ngs h ALA 573 Ca 0.10 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1ngs h ALA 573 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1ngs h ALA 573 CO 0.00 0.57 -0.29 0.87 0.00 0.00 0.00 179.25 180.40 1ngs h LYS 574 N 0.00 0.68 -0.53 0.00 1.57 -0.98 -0.38 116.57 116.94 1ngs h LYS 574 Ca -0.00 -0.37 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1ngs h LYS 574 Cb 0.83 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.14 1ngs h LYS 574 CO 0.06 0.98 0.30 1.15 -0.57 0.00 0.00 179.45 181.37 1ngs h THR 575 N 0.42 1.17 -0.34 -0.16 2.02 -1.13 -2.60 112.91 112.30 1ngs h THR 575 Ca 0.04 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.71 1ngs h THR 575 Cb 0.87 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1ngs h THR 575 CO 0.07 0.18 -0.12 -0.07 0.37 0.00 0.00 175.52 175.95 1ngs h LEU 576 N 0.71 0.57 -1.01 2.58 3.38 -0.86 -2.74 115.31 117.95 1ngs h LEU 576 Ca 0.19 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ngs h LEU 576 Cb 0.03 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1ngs h LEU 576 CO -0.03 0.73 0.43 0.00 0.09 0.00 0.00 178.44 179.65 1ngs h ALA 577 N 1.33 1.24 -0.75 1.53 0.00 -0.74 -0.24 119.26 121.62 1ngs h ALA 577 Ca 0.10 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1ngs h ALA 577 Cb 0.53 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1ngs h ALA 577 CO 0.03 0.61 0.50 0.00 0.00 0.00 0.00 179.25 180.39 1ngs h ALA 578 N 1.34 1.86 -0.42 0.00 0.00 -1.15 0.18 119.26 121.06 1ngs h ALA 578 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1ngs h ALA 578 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ngs h ALA 578 CO -0.04 -0.03 0.00 1.63 0.00 0.00 0.00 179.25 180.80 1ngs n LYS 579 N -4.50 2.88 -2.09 0.00 5.02 -0.55 -4.92 118.16 114.00 1ngs n LYS 579 Ca 0.13 -1.90 -0.12 0.00 -2.02 0.00 0.00 58.31 54.40 1ngs n LYS 579 Cb 0.37 -1.71 -0.01 0.00 -0.02 0.00 0.00 35.03 33.66 1ngs n LYS 579 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ngs n ASN 580 N 0.64 -3.93 -4.49 4.39 4.05 0.62 -5.01 115.26 111.53 1ngs n ASN 580 Ca 0.17 0.04 -0.35 0.00 0.45 0.00 0.00 54.58 54.89 1ngs n ASN 580 Cb 0.65 -3.04 -0.12 0.00 1.23 0.00 0.00 39.78 38.50 1ngs n ASN 580 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1ngs s ILE 581 N -2.58 4.14 -0.31 -1.44 1.09 -0.21 -4.99 121.20 116.91 1ngs s ILE 581 Ca 0.00 -0.25 -0.18 0.00 -1.10 0.00 0.00 60.65 59.12 1ngs s ILE 581 Cb 0.00 -2.87 -0.01 0.00 -1.06 0.00 0.00 42.46 38.51 1ngs s ILE 581 CO 0.00 0.43 0.52 -0.54 -0.10 0.00 0.00 174.94 175.25 1ngs s LYS 582 N 0.87 3.81 -0.14 2.79 1.02 -1.26 -3.20 119.74 123.62 1ngs s LYS 582 Ca 0.01 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.06 1ngs s LYS 582 Cb -0.14 -3.74 -0.00 0.00 -0.52 0.00 0.00 37.83 33.42 1ngs s LYS 582 CO 0.02 -0.53 -0.16 0.00 -0.92 0.00 0.00 175.35 173.76 1ngs s ALA 583 N 2.38 2.46 0.04 5.17 0.00 -1.26 0.13 121.76 130.68 1ngs s ALA 583 Ca 0.20 -1.00 -0.17 0.00 0.00 0.00 0.00 51.96 50.99 1ngs s ALA 583 Cb -0.15 -1.14 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 1ngs s ALA 583 CO 0.12 0.09 0.49 0.50 0.00 0.00 0.00 175.76 176.96 1ngs s ARG 584 N 0.62 4.07 -0.22 0.00 6.06 -0.78 -4.71 118.95 123.99 1ngs s ARG 584 Ca -0.09 0.58 -0.01 0.00 -2.50 0.00 0.00 55.73 53.71 1ngs s ARG 584 Cb -0.16 -3.23 0.01 0.00 0.06 0.00 0.00 34.95 31.63 1ngs s ARG 584 CO 0.03 0.66 -0.10 0.08 -2.50 0.00 0.00 175.30 173.47 1ngs s VAL 585 N -1.08 2.75 -0.10 7.11 1.01 -0.22 -0.60 120.40 129.28 1ngs s VAL 585 Ca 0.26 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 1ngs s VAL 585 Cb -0.18 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1ngs s VAL 585 CO 0.16 0.36 0.02 -0.69 0.00 0.00 0.00 175.10 174.96 1ngs s VAL 586 N 1.35 4.49 -0.08 2.92 1.01 0.81 -0.73 120.40 130.17 1ngs s VAL 586 Ca 0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1ngs s VAL 586 Cb -0.15 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1ngs s VAL 586 CO -0.07 0.60 -0.04 -0.55 0.00 0.00 0.00 175.10 175.05 1ngs s SER 587 N -0.82 4.92 -0.48 3.32 0.15 -0.39 -1.80 113.70 118.61 1ngs s SER 587 Ca 0.13 0.05 0.08 0.00 0.70 0.00 0.00 55.95 56.90 1ngs s SER 587 Cb -0.12 -1.35 0.28 0.00 -1.71 0.00 0.00 66.02 63.13 1ngs s SER 587 CO 0.02 0.36 0.67 -0.11 1.20 0.00 0.00 173.24 175.39 1ngs n LEU 588 N 2.28 1.82 0.17 3.45 0.00 -0.79 -0.92 117.00 123.00 1ngs n LEU 588 Ca -0.18 -5.08 0.19 0.00 0.00 0.00 0.00 56.01 50.93 1ngs n LEU 588 Cb 0.53 0.15 0.76 0.00 0.00 0.00 0.00 43.42 44.86 1ngs n LEU 588 CO 0.28 2.14 1.16 1.55 0.00 0.00 0.00 177.39 182.53 1ngs h PRO 589 N 3.74 0.00 -2.23 1.96 0.13 -1.74 -3.40 132.00 130.45 1ngs h PRO 589 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1ngs h PRO 589 Cb 0.79 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.66 1ngs h PRO 589 CO 0.62 0.00 -0.32 0.34 -0.23 0.00 0.00 178.00 178.41 1ngs s ASP 590 N -5.04 -0.47 0.08 1.44 2.15 -0.76 -0.81 116.67 113.26 1ngs s ASP 590 Ca -0.04 1.03 -0.31 0.00 0.43 0.00 0.00 52.55 53.67 1ngs s ASP 590 Cb 0.13 1.60 -0.17 0.00 -0.30 0.00 0.00 42.92 44.18 1ngs s ASP 590 CO 0.47 -0.24 1.64 -0.26 -0.17 0.00 0.00 175.17 176.61 1ngs h PHE 591 N 8.12 -0.71 -0.29 -5.34 -1.00 -1.78 -2.09 116.94 113.86 1ngs h PHE 591 Ca -0.17 -0.01 0.06 0.00 2.81 0.00 0.00 57.97 60.66 1ngs h PHE 591 Cb 1.11 0.25 -0.08 0.00 3.61 0.00 0.00 35.95 40.84 1ngs h PHE 591 CO 0.23 -0.42 -0.41 0.35 -1.61 0.00 0.00 178.31 176.45 1ngs h PHE 592 N -0.70 -1.17 -0.84 -0.55 3.57 -1.90 0.91 116.94 116.26 1ngs h PHE 592 Ca -0.06 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1ngs h PHE 592 Cb 0.56 0.55 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1ngs h PHE 592 CO -0.07 -0.44 0.49 1.15 -2.23 0.00 0.00 178.31 177.21 1ngs h THR 593 N -0.38 1.24 -0.29 4.41 2.02 -1.88 -2.37 112.91 115.65 1ngs h THR 593 Ca 0.12 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 1ngs h THR 593 Cb 0.59 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1ngs h THR 593 CO -0.49 0.25 0.13 0.15 0.37 0.00 0.00 175.52 175.93 1ngs h PHE 594 N 1.15 0.43 -0.08 3.16 3.57 -0.74 -2.43 116.94 122.00 1ngs h PHE 594 Ca 0.30 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.80 1ngs h PHE 594 Cb -0.03 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 38.58 1ngs h PHE 594 CO -0.00 0.41 0.06 -0.44 -2.23 0.00 0.00 178.31 176.11 1ngs h ASP 595 N 0.33 0.00 0.88 0.41 3.32 -0.60 0.14 116.42 120.89 1ngs h ASP 595 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.15 1ngs h ASP 595 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ngs h ASP 595 CO -0.01 0.00 0.00 0.11 -1.72 0.00 0.00 179.24 177.62 1ngs h LYS 596 N 0.00 0.00 -7.31 3.56 1.57 -0.92 -3.45 116.57 110.02 1ngs h LYS 596 Ca 0.04 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.31 1ngs h LYS 596 Cb 0.16 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.59 1ngs h LYS 596 CO -0.00 0.00 0.34 -0.65 -0.57 0.00 0.00 179.45 178.57 1ngs s GLN 597 N -3.38 2.53 0.39 3.15 -1.52 0.03 -4.99 119.66 115.87 1ngs s GLN 597 Ca 0.04 1.13 -0.26 0.00 -1.95 0.00 0.00 55.36 54.31 1ngs s GLN 597 Cb 0.09 -1.93 -0.09 0.00 -0.22 0.00 0.00 33.01 30.86 1ngs s GLN 597 CO 0.45 -1.43 1.28 -1.25 -0.25 0.00 0.00 175.29 174.09 1ngs s PRO 598 N -4.85 4.04 0.25 2.91 0.04 -1.26 -4.83 135.00 131.31 1ngs s PRO 598 Ca 0.61 2.12 -0.07 0.00 0.04 0.00 0.00 61.00 63.70 1ngs s PRO 598 Cb -0.16 -2.80 0.44 0.00 0.04 0.00 0.00 34.50 32.02 1ngs s PRO 598 CO 0.54 -0.42 1.62 1.25 0.04 0.00 0.00 177.00 180.03 1ngs h LEU 599 N 2.79 -0.44 -2.23 -3.56 5.85 -1.94 0.16 115.31 115.95 1ngs h LEU 599 Ca -0.49 0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.48 1ngs h LEU 599 Cb 1.24 0.39 -0.01 0.00 0.37 0.00 0.00 40.66 42.65 1ngs h LEU 599 CO 0.63 -0.21 0.17 1.05 -0.34 0.00 0.00 178.44 179.73 1ngs h GLU 600 N 0.07 0.00 0.05 1.25 9.09 -1.97 0.28 114.58 123.35 1ngs h GLU 600 Ca 0.42 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.83 1ngs h GLU 600 Cb 0.74 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.84 1ngs h GLU 600 CO -0.72 0.00 -0.02 -0.92 0.05 0.00 0.00 179.01 177.40 1ngs h TYR 601 N 0.00 -0.06 -0.83 2.06 3.20 -1.06 -2.90 116.97 117.38 1ngs h TYR 601 Ca 0.08 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.06 1ngs h TYR 601 Cb 0.41 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.62 1ngs h TYR 601 CO 0.00 0.48 0.45 0.00 -1.64 0.00 0.00 178.16 177.45 1ngs h ARG 602 N -0.95 0.69 0.00 1.82 3.08 -0.84 0.32 114.38 118.50 1ngs h ARG 602 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1ngs h ARG 602 Cb 0.57 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1ngs h ARG 602 CO 0.01 0.46 0.00 1.28 -1.07 0.00 0.00 179.97 180.65 1ngs n LEU 603 N -4.80 0.00 0.03 3.04 4.77 0.88 -0.52 117.00 120.40 1ngs n LEU 603 Ca 0.15 0.50 -0.02 0.00 -0.03 0.00 0.00 56.01 56.61 1ngs n LEU 603 Cb 0.34 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1ngs n LEU 603 CO 0.24 -0.19 -0.28 0.77 -1.33 0.00 0.00 177.39 176.61 1ngs h SER 604 N 0.00 0.00 0.22 -1.43 4.64 -0.19 -3.23 113.55 113.56 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 0.31 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.42 1ngs h SER 604 CO 0.00 0.69 -1.68 0.58 -0.87 0.00 0.00 176.83 175.55 1ngs h VAL 605 N 0.00 1.03 -3.12 0.95 2.07 -0.39 -3.41 116.25 113.38 1ngs h VAL 605 Ca -0.17 -2.57 -0.62 0.00 0.82 0.00 0.00 66.70 64.15 1ngs h VAL 605 Cb 1.68 2.83 -0.42 0.00 -1.52 0.00 0.00 31.29 33.87 1ngs h VAL 605 CO 0.06 0.85 -0.60 -0.76 0.02 0.00 0.00 177.57 177.14 1ngs s LEU 606 N -7.36 4.58 0.88 2.57 1.43 0.32 -4.97 118.68 116.14 1ngs s LEU 606 Ca -0.14 -3.64 -0.12 0.00 -1.03 0.00 0.00 54.13 49.20 1ngs s LEU 606 Cb 0.05 -1.59 0.17 0.00 0.03 0.00 0.00 46.19 44.85 1ngs s LEU 606 CO 0.88 -0.12 1.22 -2.16 0.23 0.00 0.00 176.35 176.40 1ngs s PRO 607 N -1.15 1.05 0.62 1.29 0.04 -1.22 -4.57 135.00 131.07 1ngs s PRO 607 Ca 0.23 -0.55 -0.09 0.00 0.04 0.00 0.00 61.00 60.64 1ngs s PRO 607 Cb -0.09 -1.99 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ngs s PRO 607 CO -0.13 -2.07 0.98 -0.51 0.04 0.00 0.00 177.00 175.30 1ngs s ASP 608 N -4.82 5.75 -1.68 6.66 1.11 -1.26 -3.91 116.67 118.52 1ngs s ASP 608 Ca 0.71 1.02 0.00 0.00 0.18 0.00 0.00 52.55 54.45 1ngs s ASP 608 Cb -0.05 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.94 1ngs s ASP 608 CO 0.50 -1.06 0.00 0.59 1.18 0.00 0.00 175.17 176.39 1ngs n ASN 609 N -2.72 -5.39 -3.70 0.27 3.02 0.53 -4.88 115.26 102.40 1ngs n ASN 609 Ca 0.05 0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.54 1ngs n ASN 609 Cb 0.56 -4.46 -0.13 0.00 -0.61 0.00 0.00 39.78 35.14 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 -2.89 -0.22 0.33 2.41 1.01 -1.26 -4.79 120.40 114.99 1ngs s VAL 610 Ca 0.00 0.22 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 1ngs s VAL 610 Cb 0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 36.38 35.88 1ngs s VAL 610 CO 0.00 0.09 1.32 -2.16 0.00 0.00 0.00 175.10 174.35 1ngs s PRO 611 N 1.82 4.34 -0.13 2.72 0.04 -1.26 -4.84 135.00 137.68 1ngs s PRO 611 Ca -0.04 2.24 0.02 0.00 0.04 0.00 0.00 61.00 63.26 1ngs s PRO 611 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.37 1ngs s PRO 611 CO -0.08 -0.22 -0.21 0.42 0.04 0.00 0.00 177.00 176.95 1ngs s ILE 612 N -1.10 2.23 -0.09 0.56 1.01 -1.26 -1.28 121.20 121.28 1ngs s ILE 612 Ca 0.49 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ngs s ILE 612 Cb -0.40 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1ngs s ILE 612 CO 0.53 0.54 -0.18 -0.32 0.00 0.00 0.00 174.94 175.52 1ngs s MET 613 N 0.67 2.38 0.31 2.79 1.75 -0.52 0.07 119.30 126.76 1ngs s MET 613 Ca -0.10 -0.64 -0.00 0.00 -1.25 0.00 0.00 55.69 53.70 1ngs s MET 613 Cb -0.16 -1.89 -0.04 0.00 2.84 0.00 0.00 34.83 35.58 1ngs s MET 613 CO 0.02 0.06 0.52 -1.54 -0.65 0.00 0.00 175.02 173.43 1ngs s SER 614 N 0.62 6.33 -0.13 1.11 1.04 -0.46 -1.46 113.70 120.74 1ngs s SER 614 Ca -0.14 0.46 -0.04 0.00 0.48 0.00 0.00 55.95 56.70 1ngs s SER 614 Cb -0.16 -2.03 0.05 0.00 0.10 0.00 0.00 66.02 63.97 1ngs s SER 614 CO 0.04 -0.24 0.08 -0.69 0.98 0.00 0.00 173.24 173.42 1ngs s VAL 615 N -2.21 -0.10 -0.29 5.02 1.01 0.94 -0.99 120.40 123.78 1ngs s VAL 615 Ca 0.40 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 1ngs s VAL 615 Cb -0.10 -0.43 0.12 0.00 0.00 0.00 0.00 36.38 35.97 1ngs s VAL 615 CO 0.34 -0.12 0.74 -0.70 0.00 0.00 0.00 175.10 175.36 1ngs s GLU 616 N 2.15 0.57 0.00 2.72 2.12 -0.92 -3.61 118.70 121.73 1ngs s GLU 616 Ca 0.03 1.20 -0.02 0.00 0.36 0.00 0.00 54.97 56.54 1ngs s GLU 616 Cb -0.15 0.47 -0.09 0.00 0.26 0.00 0.00 34.13 34.62 1ngs s GLU 616 CO -0.07 -0.16 2.02 1.33 -0.54 0.00 0.00 175.26 177.84 1ngs n VAL 617 N 4.79 1.72 -4.09 3.70 0.24 -1.26 -3.99 118.33 119.44 1ngs n VAL 617 Ca -0.15 -0.69 -0.12 0.00 -2.04 0.00 0.00 64.34 61.33 1ngs n VAL 617 Cb 0.54 -1.60 -0.04 0.00 -1.47 0.00 0.00 33.84 31.27 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 2.16 0.00 -4.53 1.34 4.77 -1.26 -4.63 117.00 114.85 1ngs n LEU 618 Ca 0.15 -2.15 -0.49 0.00 -0.03 0.00 0.00 56.01 53.49 1ngs n LEU 618 Cb 0.49 1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 42.96 1ngs n LEU 618 CO 0.08 -0.41 0.49 0.00 -1.33 0.00 0.00 177.39 176.22 1ngs n ALA 619 N -1.38 -1.49 0.75 -1.18 0.00 0.53 -1.32 120.51 116.43 1ngs n ALA 619 Ca -0.09 0.46 0.11 0.00 0.00 0.00 0.00 53.44 53.92 1ngs n ALA 619 Cb 0.42 -1.89 0.09 0.00 0.00 0.00 0.00 19.45 18.07 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 0.83 0.12 0.22 0.00 -2.24 -1.26 -4.48 114.28 107.46 1ngs n THR 620 Ca 0.15 -0.14 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1ngs n THR 620 Cb 0.25 0.28 0.59 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.69 112.91 114.88 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 0.63 0.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 1ngs h THR 621 CO 0.00 0.00 -1.09 0.00 -0.25 0.00 0.00 175.52 174.18 1ngs h TRP 623 N 0.00 0.00 0.00 0.00 4.06 -1.61 -3.28 115.95 115.12 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 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.71 1ngs h TRP 623 CO 0.00 0.00 0.04 0.41 -3.56 0.00 0.00 178.44 175.33 1ngs n GLY 624 N 0.27 -0.57 0.00 1.49 0.00 -1.26 -1.42 105.19 103.70 1ngs n GLY 624 Ca 0.02 0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.69 0.02 0.00 1.61 2.85 -1.24 -4.36 118.16 115.35 1ngs n LYS 625 Ca -0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 1ngs n LYS 625 Cb 0.05 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.93 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 -1.48 0.00 -4.42 5.58 4.01 -0.52 -3.98 117.16 116.34 1ngs n TYR 626 Ca 0.06 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.55 1ngs n TYR 626 Cb 0.34 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.29 2.70 -0.08 -0.72 0.00 -0.51 -4.60 121.76 117.27 1ngs s ALA 627 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 1ngs s ALA 627 Cb 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 23.12 22.47 1ngs s ALA 627 CO 0.00 0.36 0.56 0.45 0.00 0.00 0.00 175.76 177.12 1ngs h HIS 628 N 2.69 0.60 -3.93 0.00 3.86 -0.68 -3.41 115.15 114.29 1ngs h HIS 628 Ca -0.44 -0.44 -0.31 0.00 -1.16 0.00 0.00 60.37 58.03 1ngs h HIS 628 Cb 1.23 -0.02 -0.21 0.00 1.06 0.00 0.00 27.41 29.47 1ngs h HIS 628 CO 0.74 1.69 -0.74 -0.65 0.86 0.00 0.00 177.93 179.83 1ngs s GLN 629 N -2.55 0.64 -0.02 2.45 -1.52 -0.86 -5.03 119.66 112.77 1ngs s GLN 629 Ca -0.19 -0.87 0.02 0.00 -1.95 0.00 0.00 55.36 52.37 1ngs s GLN 629 Cb 0.06 -0.43 0.00 0.00 -0.22 0.00 0.00 33.01 32.42 1ngs s GLN 629 CO 0.81 0.08 -0.09 -1.12 -0.25 0.00 0.00 175.29 174.72 1ngs s SER 630 N -1.78 1.14 -0.36 5.90 0.01 -1.26 -1.36 113.70 115.99 1ngs s SER 630 Ca -0.05 -0.18 -0.05 0.00 1.31 0.00 0.00 55.95 56.98 1ngs s SER 630 Cb -0.08 -0.28 0.07 0.00 0.21 0.00 0.00 66.02 65.93 1ngs s SER 630 CO 0.00 0.07 0.13 0.12 0.41 0.00 0.00 173.24 173.97 1ngs s PHE 631 N 0.14 3.36 0.00 2.43 5.36 -0.16 -4.94 117.98 124.17 1ngs s PHE 631 Ca -0.02 -1.83 0.00 0.00 -0.96 0.00 0.00 56.93 54.12 1ngs s PHE 631 Cb -0.08 -2.59 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 1ngs s PHE 631 CO 0.00 -0.83 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 1ngs n GLY 632 N 4.72 4.10 2.89 13.12 0.00 -1.26 -2.18 105.19 126.59 1ngs n GLY 632 Ca -0.10 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.33 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 1.37 -0.67 -0.61 1.01 -0.43 -4.87 121.20 115.12 1ngs s ILE 633 Ca 0.00 -1.25 -0.01 0.00 0.00 0.00 0.00 60.65 59.40 1ngs s ILE 633 Cb 0.00 -1.75 0.42 0.00 0.01 0.00 0.00 42.46 41.14 1ngs s ILE 633 CO 0.00 -0.23 1.91 0.47 0.00 0.00 0.00 174.94 177.09 1ngs n ASP 634 N 4.71 7.25 -3.52 3.58 8.00 -1.26 -3.11 116.55 132.19 1ngs n ASP 634 Ca -0.09 -3.80 -0.11 0.00 0.71 0.00 0.00 54.79 51.50 1ngs n ASP 634 Cb 0.44 -0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 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 -3.86 1.32 0.87 -1.24 1.70 -1.26 -5.09 118.95 111.38 1ngs s ARG 635 Ca 0.59 -0.59 -0.11 0.00 -0.47 0.00 0.00 55.73 55.16 1ngs s ARG 635 Cb 0.47 0.57 0.12 0.00 -0.57 0.00 0.00 34.95 35.54 1ngs s ARG 635 CO -0.13 -0.57 1.11 -0.06 -1.08 0.00 0.00 175.30 174.56 1ngs s PHE 636 N -3.78 2.11 0.00 5.89 0.08 -1.26 -4.98 117.98 116.03 1ngs s PHE 636 Ca 0.03 1.57 0.00 0.00 0.12 0.00 0.00 56.93 58.65 1ngs s PHE 636 Cb -0.01 -3.17 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 1ngs s PHE 636 CO -0.10 -2.39 0.00 0.41 -0.10 0.00 0.00 175.22 173.04 1ngs n GLY 637 N -0.56 0.42 3.35 4.36 0.00 -1.26 -5.05 105.19 106.45 1ngs n GLY 637 Ca 0.09 -1.43 -0.13 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 -3.76 -1.13 -0.49 4.61 0.00 -1.26 -4.63 121.76 115.11 1ngs s ALA 638 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 51.96 52.20 1ngs s ALA 638 Cb 0.00 0.31 0.04 0.00 0.00 0.00 0.00 23.12 23.48 1ngs s ALA 638 CO 0.00 -0.45 0.70 0.45 0.00 0.00 0.00 175.76 176.46 1ngs s SER 639 N -1.89 6.29 0.04 0.00 0.15 -1.26 -4.37 113.70 112.66 1ngs s SER 639 Ca -0.06 -0.57 -0.28 0.00 0.70 0.00 0.00 55.95 55.74 1ngs s SER 639 Cb -0.01 -2.33 0.10 0.00 -1.71 0.00 0.00 66.02 62.07 1ngs s SER 639 CO -0.01 -0.91 1.20 -0.83 1.20 0.00 0.00 173.24 173.89 1ngs s GLY 640 N 2.44 -0.23 0.24 9.45 0.00 -1.23 -4.91 107.32 113.09 1ngs s GLY 640 Ca 0.21 0.27 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 1ngs s GLY 640 CO 0.16 1.91 1.51 0.54 0.00 0.00 0.00 173.10 177.22 1ngs s LYS 641 N -2.40 4.21 0.26 2.90 -0.14 -1.26 -1.54 119.74 121.78 1ngs s LYS 641 Ca 0.19 2.40 -0.06 0.00 -1.36 0.00 0.00 55.97 57.14 1ngs s LYS 641 Cb 0.01 -3.09 0.47 0.00 -1.68 0.00 0.00 37.83 33.54 1ngs s LYS 641 CO -0.01 -0.52 1.62 0.00 -0.76 0.00 0.00 175.35 175.68 1ngs h ALA 642 N 5.35 0.80 -0.65 5.17 0.00 -1.85 0.12 119.26 128.19 1ngs h ALA 642 Ca -0.46 0.27 0.06 0.00 0.00 0.00 0.00 54.91 54.78 1ngs h ALA 642 Cb 1.22 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.45 1ngs h ALA 642 CO 0.81 -0.44 0.43 -1.35 0.00 0.00 0.00 179.25 178.70 1ngs h PRO 643 N 0.07 0.66 -0.04 0.00 0.11 -1.92 -1.26 132.00 129.62 1ngs h PRO 643 Ca 0.44 -0.04 -0.21 0.00 0.11 0.00 0.00 66.00 66.30 1ngs h PRO 643 Cb 0.78 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1ngs h PRO 643 CO -0.74 0.44 -0.85 0.93 -0.21 0.00 0.00 178.00 177.56 1ngs h GLU 644 N 0.68 0.44 -0.50 1.05 5.08 -1.18 -2.55 114.58 117.60 1ngs h GLU 644 Ca 0.28 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1ngs h GLU 644 Cb 0.23 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1ngs h GLU 644 CO -0.09 1.07 -0.07 0.28 -1.00 0.00 0.00 179.01 179.21 1ngs h VAL 645 N 0.27 1.26 -0.42 3.13 2.07 -0.12 -0.66 116.25 121.79 1ngs h VAL 645 Ca -0.06 -1.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.26 1ngs h VAL 645 Cb 1.47 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1ngs h VAL 645 CO 0.15 0.41 0.14 -0.26 0.02 0.00 0.00 177.57 178.03 1ngs h PHE 646 N 0.81 0.66 -0.31 1.57 0.04 -1.23 -1.98 116.94 116.50 1ngs h PHE 646 Ca 0.14 -0.06 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ngs h PHE 646 Cb 0.58 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 1ngs h PHE 646 CO 0.03 0.60 0.15 0.87 -0.60 0.00 0.00 178.31 179.36 1ngs h LYS 647 N 0.53 0.45 -0.42 1.51 1.57 -1.28 0.95 116.57 119.87 1ngs h LYS 647 Ca 0.14 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1ngs h LYS 647 Cb 0.24 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ngs h LYS 647 CO -0.01 0.42 0.29 0.35 -0.57 0.00 0.00 179.45 179.94 1ngs h PHE 648 N 0.36 0.23 -0.25 -1.35 3.57 -0.88 -1.27 116.94 117.36 1ngs h PHE 648 Ca 0.11 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1ngs h PHE 648 Cb 0.13 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.79 1ngs h PHE 648 CO -0.02 0.12 0.00 1.19 -2.23 0.00 0.00 178.31 177.37 1ngs n PHE 649 N -4.46 0.32 -0.73 0.41 3.72 -0.77 -4.95 117.46 111.00 1ngs n PHE 649 Ca 0.06 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1ngs n PHE 649 Cb 0.33 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.87 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 1.29 0.84 3.12 1.37 0.00 -0.48 -4.97 105.19 106.36 1ngs n GLY 650 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.08 3.99 -4.33 1.61 3.01 0.30 -4.29 117.46 115.66 1ngs n PHE 651 Ca 0.00 -2.95 -0.24 0.00 1.01 0.00 0.00 57.45 55.27 1ngs n PHE 651 Cb 0.00 -2.44 -0.12 0.00 -0.01 0.00 0.00 39.48 36.91 1ngs n PHE 651 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1ngs s THR 652 N 2.87 1.88 0.11 4.37 2.01 -1.26 -4.52 115.64 121.10 1ngs s THR 652 Ca 0.48 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.45 1ngs s THR 652 Cb 0.08 -1.76 -0.09 0.00 0.01 0.00 0.00 72.50 70.74 1ngs s THR 652 CO -0.01 -0.12 1.61 -0.65 -0.69 0.00 0.00 174.62 174.77 1ngs h PRO 653 N 3.72 -0.56 0.00 4.92 0.11 -1.88 0.38 132.00 138.69 1ngs h PRO 653 Ca -0.46 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1ngs h PRO 653 Cb 1.19 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ngs h PRO 653 CO 0.44 -0.37 0.00 1.05 -0.21 0.00 0.00 178.00 178.90 1ngs h GLU 654 N -0.58 0.00 -0.34 1.05 9.09 -1.93 0.58 114.58 122.45 1ngs h GLU 654 Ca 0.02 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.27 1ngs h GLU 654 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1ngs h GLU 654 CO -0.17 0.00 -0.42 0.78 0.05 0.00 0.00 179.01 179.24 1ngs h GLY 655 N 1.33 0.98 1.00 1.06 0.00 -1.34 -1.08 103.07 105.01 1ngs h GLY 655 Ca 0.00 -1.04 -0.17 0.00 0.00 0.00 0.00 47.33 46.12 1ngs h GLY 655 CO 0.00 0.94 -0.56 -2.08 0.00 0.00 0.00 176.54 174.84 1ngs h VAL 656 N 0.70 1.32 -0.72 4.60 2.07 0.35 -3.10 116.25 121.47 1ngs h VAL 656 Ca 0.04 -1.81 0.01 0.00 0.82 0.00 0.00 66.70 65.76 1ngs h VAL 656 Cb 1.02 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 1ngs h VAL 656 CO 0.10 0.56 0.47 0.00 0.02 0.00 0.00 177.57 178.73 1ngs h ALA 657 N 0.54 0.91 -0.47 1.67 0.00 -0.85 -1.03 119.26 120.03 1ngs h ALA 657 Ca -0.03 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1ngs h ALA 657 Cb 1.19 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.64 1ngs h ALA 657 CO 0.12 0.32 0.19 1.49 0.00 0.00 0.00 179.25 181.38 1ngs h GLU 658 N 0.97 0.37 -0.10 0.00 4.81 -1.24 -0.46 114.58 118.93 1ngs h GLU 658 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1ngs h GLU 658 Cb -0.10 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1ngs h GLU 658 CO -0.06 0.25 -0.26 0.00 -0.73 0.00 0.00 179.01 178.21 1ngs h ARG 659 N 0.38 0.17 -0.31 1.92 3.08 -1.35 -0.73 114.38 117.54 1ngs h ARG 659 Ca 0.22 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.09 1ngs h ARG 659 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1ngs h ARG 659 CO -0.20 0.42 -0.29 0.00 -1.07 0.00 0.00 179.97 178.83 1ngs h ALA 660 N 1.59 0.46 -0.68 0.04 0.00 -0.24 -1.72 119.26 118.70 1ngs h ALA 660 Ca 0.03 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1ngs h ALA 660 Cb 0.54 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1ngs h ALA 660 CO 0.04 0.48 0.35 1.96 0.00 0.00 0.00 179.25 182.08 1ngs h GLN 661 N 0.52 0.96 -0.20 0.00 4.20 -0.73 -0.80 115.11 119.05 1ngs h GLN 661 Ca 0.05 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.52 1ngs h GLN 661 Cb 0.87 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1ngs h GLN 661 CO 0.07 0.73 -0.40 0.87 -0.67 0.00 0.00 178.83 179.43 1ngs h LYS 662 N 0.96 0.47 -0.40 1.46 1.79 -0.93 -2.40 116.57 117.52 1ngs h LYS 662 Ca 0.24 -0.23 -0.15 0.00 -2.18 0.00 0.00 60.65 58.33 1ngs h LYS 662 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 1ngs h LYS 662 CO -0.03 0.79 -0.34 1.15 -1.08 0.00 0.00 179.45 179.93 1ngs h THR 663 N 0.39 1.27 -0.27 -0.16 2.02 -0.62 -1.46 112.91 114.08 1ngs h THR 663 Ca 0.04 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 1ngs h THR 663 Cb 0.87 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1ngs h THR 663 CO 0.07 0.51 0.08 0.40 0.37 0.00 0.00 175.52 176.96 1ngs h ILE 664 N 0.77 1.20 -0.13 3.11 2.04 -1.10 -2.33 117.51 121.07 1ngs h ILE 664 Ca 0.07 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1ngs h ILE 664 Cb 0.93 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1ngs h ILE 664 CO 0.09 0.21 0.08 0.00 0.00 0.00 0.00 178.15 178.53 1ngs h ALA 665 N 0.91 0.17 -1.00 1.87 0.00 -1.39 0.23 119.26 120.05 1ngs h ALA 665 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ngs h ALA 665 Cb 0.24 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.89 1ngs h ALA 665 CO -0.00 -0.31 0.63 0.35 0.00 0.00 0.00 179.25 179.91 1ngs h PHE 666 N 0.14 1.13 -0.00 0.00 3.57 -1.18 -2.49 116.94 118.12 1ngs h PHE 666 Ca 0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1ngs h PHE 666 Cb 0.04 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.42 1ngs h PHE 666 CO -0.05 0.43 -0.80 0.66 -2.23 0.00 0.00 178.31 176.32 1ngs n TYR 667 N -4.63 0.00 -1.59 0.41 4.01 -0.89 -4.94 117.16 109.53 1ngs n TYR 667 Ca 0.19 0.00 -0.51 0.00 -0.16 0.00 0.00 57.90 57.43 1ngs n TYR 667 Cb 0.38 -0.07 -0.06 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.34 1.55 0.00 -0.72 0.00 0.80 -0.45 118.16 118.00 1ngs n LYS 668 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 58.31 58.88 1ngs n LYS 668 Cb 0.34 -2.53 0.00 0.00 0.00 0.00 0.00 35.03 32.85 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 5.31 2.74 3.89 3.14 0.00 -1.26 -5.04 105.19 113.98 1ngs n GLY 669 Ca 0.31 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.21 6.47 -0.14 1.61 1.01 0.40 -5.06 116.67 119.74 1ngs s ASP 670 Ca 0.00 0.93 -0.17 0.00 0.71 0.00 0.00 52.55 54.02 1ngs s ASP 670 Cb 0.00 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 1ngs s ASP 670 CO 0.00 -0.32 0.41 -1.59 0.21 0.00 0.00 175.17 173.89 1ngs s LYS 671 N -3.76 4.29 0.04 8.23 -2.85 -1.26 -5.05 119.74 119.37 1ngs s LYS 671 Ca 0.48 0.31 0.05 0.00 -1.00 0.00 0.00 55.97 55.80 1ngs s LYS 671 Cb -0.10 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.18 1ngs s LYS 671 CO 0.31 0.15 -0.09 -0.51 0.10 0.00 0.00 175.35 175.31 1ngs s LEU 672 N 0.69 3.06 -0.12 2.77 1.02 -1.26 -4.98 118.68 119.86 1ngs s LEU 672 Ca 0.22 -0.25 -0.03 0.00 0.02 0.00 0.00 54.13 54.09 1ngs s LEU 672 Cb -0.14 -1.79 -0.03 0.00 0.02 0.00 0.00 46.19 44.25 1ngs s LEU 672 CO 0.08 0.25 0.00 -0.63 0.02 0.00 0.00 176.35 176.07 1ngs s ILE 673 N -1.05 4.31 0.38 -0.59 -1.09 -1.26 0.20 121.20 122.10 1ngs s ILE 673 Ca 0.18 -0.23 -0.28 0.00 -2.23 0.00 0.00 60.65 58.09 1ngs s ILE 673 Cb -0.11 -2.85 -0.11 0.00 -1.58 0.00 0.00 42.46 37.81 1ngs s ILE 673 CO 0.09 0.56 1.50 -0.55 -1.23 0.00 0.00 174.94 175.31 1ngs s SER 674 N -0.43 6.31 0.57 3.58 0.15 -1.25 -4.84 113.70 117.79 1ngs s SER 674 Ca 0.08 3.07 0.38 0.00 0.70 0.00 0.00 55.95 60.18 1ngs s SER 674 Cb -0.12 -2.67 1.85 0.00 -1.71 0.00 0.00 66.02 63.37 1ngs s SER 674 CO 0.02 -0.90 2.14 -0.65 1.20 0.00 0.00 173.24 175.05 1ngs h PRO 675 N 2.97 0.00 -0.30 5.44 0.11 -1.84 -2.88 132.00 135.50 1ngs h PRO 675 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ngs h PRO 675 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ngs h PRO 675 CO 0.64 0.00 0.18 -0.07 -0.21 0.00 0.00 178.00 178.54 1ngs h LEU 676 N 0.00 0.35 -9.33 2.35 3.38 -1.87 -3.44 115.31 106.75 1ngs h LEU 676 Ca 0.00 -0.01 -0.54 0.00 0.09 0.00 0.00 57.88 57.41 1ngs h LEU 676 Cb 0.22 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1ngs h LEU 676 CO 0.00 0.27 1.04 -0.54 0.09 0.00 0.00 178.44 179.30 1ngs s LYS 677 N -5.33 4.20 0.09 1.13 1.02 -1.09 -5.02 119.74 114.73 1ngs s LYS 677 Ca -0.07 2.22 0.07 0.00 0.02 0.00 0.00 55.97 58.20 1ngs s LYS 677 Cb 0.17 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.60 1ngs s LYS 677 CO 0.72 -0.79 -0.14 -1.59 -0.92 0.00 0.00 175.35 172.63 1ngs s LYS 678 N 3.51 2.06 0.12 1.68 -2.85 -1.26 -5.03 119.74 117.96 1ngs s LYS 678 Ca 0.73 -1.03 0.05 0.00 -1.00 0.00 0.00 55.97 54.72 1ngs s LYS 678 Cb -0.35 -2.25 -0.18 0.00 -2.06 0.00 0.00 37.83 32.99 1ngs s LYS 678 CO 0.30 0.51 1.28 0.00 0.10 0.00 0.00 175.35 177.55 1ngs h ALA 679 N 3.91 0.35 0.00 0.59 0.00 -2.00 -3.56 119.26 118.55 1ngs h ALA 679 Ca -0.49 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 53.54 1ngs h ALA 679 Cb 1.16 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ngs h ALA 679 CO 0.50 1.16 0.00 1.97 0.00 0.00 0.00 179.25 182.88