#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k9x n VAL 4 N 0.00 1.00 -3.91 2.62 0.31 -1.26 -4.88 118.33 112.21 1k9x n VAL 4 Ca 0.00 0.27 -0.34 0.00 -0.01 0.00 0.00 64.34 64.26 1k9x n VAL 4 Cb 0.00 -2.08 -0.13 0.00 -0.91 0.00 0.00 33.84 30.71 1k9x n VAL 4 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1k9x s PHE 5 N -2.18 3.53 -0.16 3.52 0.40 -1.26 -4.38 117.98 117.45 1k9x s PHE 5 Ca -0.17 -2.44 -0.05 0.00 -0.60 0.00 0.00 56.93 53.66 1k9x s PHE 5 Cb 0.02 -2.74 -0.08 0.00 0.51 0.00 0.00 43.02 40.74 1k9x s PHE 5 CO 0.26 -0.92 -0.18 1.04 0.70 0.00 0.00 175.22 176.12 1k9x n GLN 6 N 4.49 0.35 -1.63 0.44 1.13 -1.26 -4.94 117.38 115.95 1k9x n GLN 6 Ca -0.04 0.13 -0.45 0.00 -1.94 0.00 0.00 57.00 54.69 1k9x n GLN 6 Cb 0.42 -1.13 -0.03 0.00 0.11 0.00 0.00 30.24 29.61 1k9x n GLN 6 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1k9x n ASN 7 N -3.47 2.08 -0.19 1.08 5.15 -1.26 -4.89 115.26 113.76 1k9x n ASN 7 Ca -0.30 1.16 -0.06 0.00 -0.60 0.00 0.00 54.58 54.78 1k9x n ASN 7 Cb 0.74 -1.35 0.10 0.00 -0.53 0.00 0.00 39.78 38.74 1k9x n ASN 7 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1k9x h GLU 8 N 3.32 0.99 -0.78 1.20 4.57 -2.00 -2.51 114.58 119.38 1k9x h GLU 8 Ca -0.44 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.48 1k9x h GLU 8 Cb 1.31 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.73 1k9x h GLU 8 CO 0.69 0.90 0.38 1.15 -1.18 0.00 0.00 179.01 180.96 1k9x h THR 9 N 0.94 1.25 -0.54 0.32 2.02 -1.97 -1.92 112.91 113.00 1k9x h THR 9 Ca 0.19 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 1k9x h THR 9 Cb 0.38 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1k9x h THR 9 CO 0.01 0.29 0.14 0.40 0.37 0.00 0.00 175.52 176.72 1k9x h ILE 10 N 1.10 1.22 -0.69 3.11 1.08 -1.88 -1.17 117.51 120.28 1k9x h ILE 10 Ca 0.27 -0.80 -0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1k9x h ILE 10 Cb 0.11 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.49 1k9x h ILE 10 CO -0.03 0.30 0.28 0.11 -0.69 0.00 0.00 178.15 178.12 1k9x h LYS 11 N 0.80 1.02 -0.20 2.37 1.57 -0.95 -0.33 116.57 120.84 1k9x h LYS 11 Ca 0.18 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k9x h LYS 11 Cb 0.28 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1k9x h LYS 11 CO -0.00 0.84 0.06 1.96 -0.57 0.00 0.00 179.45 181.74 1k9x h GLN 12 N 0.98 0.31 -0.94 3.15 4.20 -0.85 -1.02 115.11 120.94 1k9x h GLN 12 Ca 0.23 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.94 1k9x h GLN 12 Cb 0.19 -0.04 -0.07 0.00 0.30 0.00 0.00 27.48 27.86 1k9x h GLN 12 CO -0.02 0.42 0.60 0.82 -0.67 0.00 0.00 178.83 179.97 1k9x h ILE 13 N 0.15 1.05 0.00 2.54 2.04 -0.96 -1.76 117.51 120.56 1k9x h ILE 13 Ca 0.06 -0.37 -0.12 0.00 1.00 0.00 0.00 64.86 65.44 1k9x h ILE 13 Cb 0.23 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.18 1k9x h ILE 13 CO -0.00 0.19 -0.57 -0.07 0.00 0.00 0.00 178.15 177.70 1k9x h LEU 14 N 1.07 0.00 -0.45 1.44 3.38 -0.80 0.22 115.31 120.18 1k9x h LEU 14 Ca 0.42 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.22 1k9x h LEU 14 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1k9x h LEU 14 CO -0.19 0.57 -0.45 0.00 0.09 0.00 0.00 178.44 178.46 1k9x h ALA 15 N 1.43 0.62 0.08 1.53 0.00 -0.35 -2.57 119.26 120.00 1k9x h ALA 15 Ca -0.01 -0.48 -0.29 0.00 0.00 0.00 0.00 54.91 54.14 1k9x h ALA 15 Cb 1.10 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.82 1k9x h ALA 15 CO 0.07 0.67 -1.18 0.87 0.00 0.00 0.00 179.25 179.69 1k9x h LYS 16 N 0.63 0.63 -0.68 0.00 1.57 -1.31 -3.23 116.57 114.17 1k9x h LYS 16 Ca 0.04 -0.79 0.13 0.00 -1.87 0.00 0.00 60.65 58.15 1k9x h LYS 16 Cb 1.03 0.25 -0.04 0.00 0.08 0.00 0.00 32.23 33.54 1k9x h LYS 16 CO 0.10 1.35 0.46 -0.92 -0.57 0.00 0.00 179.45 179.87 1k9x h TYR 17 N 0.31 0.45 -0.89 -1.35 3.20 -0.89 -0.43 116.97 117.37 1k9x h TYR 17 Ca -0.17 0.01 0.22 0.00 3.14 0.00 0.00 58.73 61.94 1k9x h TYR 17 Cb 1.84 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 39.91 1k9x h TYR 17 CO 0.11 0.19 0.61 0.00 -1.64 0.00 0.00 178.16 177.43 1k9x h ARG 18 N 0.41 0.24 -0.08 1.82 3.08 -1.48 0.72 114.38 119.09 1k9x h ARG 18 Ca 0.33 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1k9x h ARG 18 Cb 0.71 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 1k9x h ARG 18 CO -0.10 0.16 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.84 1k9x h ARG 19 N 0.25 0.18 -0.94 0.04 2.43 -1.25 0.13 114.38 115.22 1k9x h ARG 19 Ca 0.45 -0.08 -0.00 0.00 -0.81 0.00 0.00 59.98 59.55 1k9x h ARG 19 Cb 1.37 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.87 1k9x h ARG 19 CO -0.12 0.54 0.58 0.82 -1.51 0.00 0.00 179.97 180.28 1k9x h ILE 20 N -0.19 1.25 -0.41 1.20 2.04 -0.61 -2.57 117.51 118.22 1k9x h ILE 20 Ca 0.02 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.23 1k9x h ILE 20 Cb 0.48 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1k9x h ILE 20 CO 0.01 0.26 -0.22 -0.25 0.00 0.00 0.00 178.15 177.96 1k9x h TRP 21 N 1.29 0.93 -0.47 1.37 7.01 0.44 -2.85 115.95 123.66 1k9x h TRP 21 Ca 0.34 -0.21 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 1k9x h TRP 21 Cb -0.08 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 26.74 1k9x h TRP 21 CO 0.00 0.96 0.21 0.00 -2.79 0.00 0.00 178.44 176.82 1k9x h ALA 22 N 1.04 0.61 -0.88 2.65 0.00 -0.36 -1.32 119.26 121.00 1k9x h ALA 22 Ca 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k9x h ALA 22 Cb 0.74 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1k9x h ALA 22 CO 0.06 0.19 0.55 0.82 0.00 0.00 0.00 179.25 180.87 1k9x h ILE 23 N 0.62 1.24 -0.27 0.00 2.04 -1.45 0.48 117.51 120.17 1k9x h ILE 23 Ca 0.16 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1k9x h ILE 23 Cb 0.15 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.20 1k9x h ILE 23 CO -0.02 0.24 0.02 1.23 0.00 0.00 0.00 178.15 179.62 1k9x h GLY 24 N 1.21 0.42 0.91 5.37 0.00 -1.23 0.18 103.07 109.92 1k9x h GLY 24 Ca 0.32 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 1k9x h GLY 24 CO -0.06 0.21 -0.08 0.84 0.00 0.00 0.00 176.54 177.45 1k9x h HIS 25 N 0.38 0.70 -0.19 5.60 -0.00 -0.05 -1.67 115.15 119.92 1k9x h HIS 25 Ca 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1k9x h HIS 25 Cb 0.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1k9x h HIS 25 CO 0.01 0.80 0.12 0.00 -0.00 0.00 0.00 177.93 178.86 1k9x h ALA 26 N 0.80 0.24 -0.70 5.26 0.00 0.31 -2.72 119.26 122.45 1k9x h ALA 26 Ca 0.08 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1k9x h ALA 26 Cb 0.57 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 1k9x h ALA 26 CO 0.03 -0.29 0.46 1.96 0.00 0.00 0.00 179.25 181.42 1k9x h GLN 27 N 0.25 0.87 -0.67 0.00 1.08 -0.59 -0.69 115.11 115.36 1k9x h GLN 27 Ca 0.07 -0.05 -0.06 0.00 -1.45 0.00 0.00 58.65 57.16 1k9x h GLN 27 Cb -0.02 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.18 1k9x h GLN 27 CO -0.02 0.58 0.18 0.77 -0.95 0.00 0.00 178.83 179.39 1k9x h SER 28 N 0.90 0.99 0.49 1.46 0.02 -1.02 0.22 113.55 116.61 1k9x h SER 28 Ca 0.27 -0.19 -0.24 0.00 -0.84 0.00 0.00 61.79 60.79 1k9x h SER 28 Cb -0.03 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.25 1k9x h SER 28 CO -0.07 0.94 -1.04 0.58 -1.14 0.00 0.00 176.83 176.11 1k9x h VAL 29 N 1.01 1.46 0.02 2.27 2.07 -1.11 -1.08 116.25 120.89 1k9x h VAL 29 Ca 0.22 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 65.03 1k9x h VAL 29 Cb 0.33 2.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1k9x h VAL 29 CO -0.00 0.80 -0.01 -0.07 0.02 0.00 0.00 177.57 178.30 1k9x h LEU 30 N 0.15 -0.02 0.61 2.57 4.07 -0.90 0.27 115.31 122.05 1k9x h LEU 30 Ca -0.09 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.63 1k9x h LEU 30 Cb 1.70 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 43.45 1k9x h LEU 30 CO 0.17 0.20 -0.37 1.23 -1.08 0.00 0.00 178.44 178.59 1k9x h GLY 31 N -0.25 -1.01 0.13 0.83 0.00 -0.61 -0.30 103.07 101.88 1k9x h GLY 31 Ca -0.00 0.42 0.06 0.00 0.00 0.00 0.00 47.33 47.81 1k9x h GLY 31 CO 0.00 -0.36 -0.24 -0.25 0.00 0.00 0.00 176.54 175.70 1k9x h TRP 32 N -0.93 -0.63 -0.70 5.60 7.01 -1.15 -1.62 115.95 123.55 1k9x h TRP 32 Ca -0.07 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.96 1k9x h TRP 32 Cb 0.75 0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 1k9x h TRP 32 CO -0.10 -0.31 0.43 0.22 -2.79 0.00 0.00 178.44 175.89 1k9x h ASP 33 N -0.23 0.82 -0.87 2.65 1.82 -0.35 -1.91 116.42 118.34 1k9x h ASP 33 Ca 0.14 -0.04 0.11 0.00 -0.39 0.00 0.00 57.03 56.86 1k9x h ASP 33 Cb 0.45 -0.21 -0.08 0.00 0.68 0.00 0.00 39.33 40.18 1k9x h ASP 33 CO -0.40 0.62 0.50 0.25 -1.61 0.00 0.00 179.24 178.61 1k9x h LEU 34 N 0.95 0.71 0.11 2.28 6.46 -0.04 -0.05 115.31 125.72 1k9x h LEU 34 Ca 0.25 0.06 -0.27 0.00 -0.12 0.00 0.00 57.88 57.80 1k9x h LEU 34 Cb -0.06 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 1k9x h LEU 34 CO -0.05 0.38 -1.21 -0.33 -0.62 0.00 0.00 178.44 176.61 1k9x h GLU 35 N 0.81 0.24 0.06 1.25 4.39 -1.24 -3.38 114.58 116.71 1k9x h GLU 35 Ca 0.43 -0.41 -0.36 0.00 0.34 0.00 0.00 59.36 59.36 1k9x h GLU 35 Cb 0.45 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1k9x h GLU 35 CO -0.27 1.20 -2.03 0.28 -1.16 0.00 0.00 179.01 177.02 1k9x n VAL 36 N -3.52 1.64 0.00 3.13 0.31 -0.76 -4.58 118.33 114.56 1k9x n VAL 36 Ca -0.07 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 1k9x n VAL 36 Cb 1.01 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 32.21 1k9x n VAL 36 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1k9x n ASN 37 N -3.69 4.14 -4.32 4.52 3.02 -0.12 -4.99 115.26 113.82 1k9x n ASN 37 Ca -0.38 0.00 -0.57 0.00 -0.03 0.00 0.00 54.58 53.61 1k9x n ASN 37 Cb 0.95 0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 40.25 1k9x n ASN 37 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1k9x n MET 38 N -2.19 0.00 -2.13 3.52 1.56 -0.67 -4.90 117.12 112.31 1k9x n MET 38 Ca 0.00 0.00 -0.38 0.00 -0.27 0.00 0.00 57.70 57.05 1k9x n MET 38 Cb 0.47 -1.44 0.00 0.00 2.15 0.00 0.00 33.22 34.40 1k9x n MET 38 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1k9x s PRO 39 N 0.00 3.62 0.25 2.12 0.02 -1.26 -4.90 135.00 134.85 1k9x s PRO 39 Ca 0.87 1.91 -0.14 0.00 0.02 0.00 0.00 61.00 63.67 1k9x s PRO 39 Cb -1.22 -2.40 0.32 0.00 0.02 0.00 0.00 34.50 31.23 1k9x s PRO 39 CO 0.55 -0.70 1.54 1.63 -0.33 0.00 0.00 177.00 179.69 1k9x n LYS 40 N -0.57 -0.18 0.00 5.54 5.02 -1.26 -0.73 118.16 125.98 1k9x n LYS 40 Ca 0.08 1.53 0.05 0.00 -2.02 0.00 0.00 58.31 57.95 1k9x n LYS 40 Cb 0.47 -2.28 0.27 0.00 -0.02 0.00 0.00 35.03 33.47 1k9x n LYS 40 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1k9x n GLU 41 N -5.52 0.78 0.00 1.97 1.02 -1.26 -2.86 120.64 114.76 1k9x n GLU 41 Ca 0.12 0.00 0.14 0.00 -0.02 0.00 0.00 57.16 57.41 1k9x n GLU 41 Cb 0.44 -1.18 0.66 0.00 -0.02 0.00 0.00 31.44 31.34 1k9x n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9x n GLY 42 N 0.38 -1.31 0.17 0.62 0.00 0.09 -4.20 105.19 100.94 1k9x n GLY 42 Ca 0.07 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 1k9x n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k9x h ILE 43 N 0.08 0.71 -0.11 -0.61 -0.00 -1.70 -0.69 117.51 115.18 1k9x h ILE 43 Ca 0.00 -0.04 -0.00 0.00 -0.00 0.00 0.00 64.86 64.82 1k9x h ILE 43 Cb 0.38 0.58 -0.01 0.00 -0.00 0.00 0.00 36.82 37.78 1k9x h ILE 43 CO 0.00 0.02 0.06 0.25 -0.00 0.00 0.00 178.15 178.48 1k9x h LEU 44 N 0.12 0.14 -0.49 2.19 5.85 -1.88 -1.08 115.31 120.16 1k9x h LEU 44 Ca 0.19 -0.08 -0.16 0.00 0.84 0.00 0.00 57.88 58.67 1k9x h LEU 44 Cb 0.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1k9x h LEU 44 CO -0.31 0.19 -0.54 -0.33 -0.34 0.00 0.00 178.44 177.10 1k9x h GLU 45 N 0.09 0.60 -0.48 1.25 5.08 -1.82 -2.07 114.58 117.22 1k9x h GLU 45 Ca 0.04 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1k9x h GLU 45 Cb 0.07 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1k9x h GLU 45 CO -0.01 0.99 0.21 -0.09 -1.00 0.00 0.00 179.01 179.11 1k9x h ARG 46 N 0.46 0.72 -0.70 2.33 9.65 -1.04 -2.07 114.38 123.73 1k9x h ARG 46 Ca 0.01 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 1k9x h ARG 46 Cb 1.10 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.52 1k9x h ARG 46 CO 0.11 0.63 0.41 0.77 2.80 0.00 0.00 179.97 184.68 1k9x h SER 47 N 0.64 0.85 -0.58 -3.80 0.02 -1.11 -0.48 113.55 109.09 1k9x h SER 47 Ca 0.16 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.94 1k9x h SER 47 Cb 0.17 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1k9x h SER 47 CO -0.02 0.67 -0.02 0.58 -1.14 0.00 0.00 176.83 176.91 1k9x h VAL 48 N 0.95 1.26 0.05 2.27 2.07 -1.25 -1.51 116.25 120.11 1k9x h VAL 48 Ca 0.25 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 1k9x h VAL 48 Cb -0.01 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1k9x h VAL 48 CO -0.04 0.42 -0.03 0.00 0.02 0.00 0.00 177.57 177.94 1k9x h ALA 49 N 1.01 -0.07 -1.01 1.67 0.00 -0.97 -1.49 119.26 118.40 1k9x h ALA 49 Ca 0.17 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1k9x h ALA 49 Cb 0.57 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1k9x h ALA 49 CO 0.03 -0.50 0.64 1.96 0.00 0.00 0.00 179.25 181.39 1k9x h GLN 50 N -0.16 1.05 -0.34 0.00 4.20 -0.97 -0.55 115.11 118.33 1k9x h GLN 50 Ca -0.01 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 1k9x h GLN 50 Cb 0.14 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1k9x h GLN 50 CO 0.01 0.70 -0.04 0.78 -0.67 0.00 0.00 178.83 179.61 1k9x h GLY 51 N 1.08 0.68 0.90 3.46 0.00 -1.02 -1.17 103.07 107.01 1k9x h GLY 51 Ca 0.47 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 47.26 1k9x h GLY 51 CO -0.22 0.49 0.09 0.83 0.00 0.00 0.00 176.54 177.72 1k9x h GLU 52 N 0.43 0.32 -0.99 4.80 4.39 -0.68 -1.48 114.58 121.38 1k9x h GLU 52 Ca 0.09 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.75 1k9x h GLU 52 Cb 0.51 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 29.06 1k9x h GLU 52 CO 0.02 0.38 0.66 -0.07 -1.16 0.00 0.00 179.01 178.84 1k9x h LEU 53 N 0.20 1.13 -0.23 1.33 3.38 -1.07 -0.49 115.31 119.57 1k9x h LEU 53 Ca 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1k9x h LEU 53 Cb 0.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1k9x h LEU 53 CO -0.01 0.82 0.10 0.28 0.09 0.00 0.00 178.44 179.72 1k9x h SER 54 N 1.33 0.31 -0.05 -0.43 0.02 -1.03 -0.83 113.55 112.87 1k9x h SER 54 Ca 0.37 -0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1k9x h SER 54 Cb -0.14 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1k9x h SER 54 CO -0.08 0.37 -0.01 0.58 -1.14 0.00 0.00 176.83 176.55 1k9x h VAL 55 N 0.23 1.09 0.26 2.27 2.07 -0.78 -2.58 116.25 118.81 1k9x h VAL 55 Ca 0.08 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1k9x h VAL 55 Cb 0.15 1.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1k9x h VAL 55 CO -0.01 0.11 -0.12 0.25 0.02 0.00 0.00 177.57 177.82 1k9x h LEU 56 N 0.17 -0.29 -0.42 2.57 6.46 -0.42 -2.64 115.31 120.73 1k9x h LEU 56 Ca 0.04 -0.23 0.09 0.00 -0.12 0.00 0.00 57.88 57.66 1k9x h LEU 56 Cb 0.13 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.04 1k9x h LEU 56 CO 0.00 0.13 -0.21 0.28 -0.62 0.00 0.00 178.44 178.02 1k9x h SER 57 N -0.79 -0.72 -0.97 1.25 0.02 -0.98 0.18 113.55 111.55 1k9x h SER 57 Ca -0.04 0.16 0.16 0.00 -0.84 0.00 0.00 61.79 61.24 1k9x h SER 57 Cb 0.51 0.39 -0.10 0.00 0.14 0.00 0.00 62.40 63.33 1k9x h SER 57 CO 0.06 -0.24 0.57 -0.74 -1.14 0.00 0.00 176.83 175.34 1k9x h HIS 58 N -0.13 1.02 -0.40 3.45 -0.00 -1.52 0.19 115.15 117.75 1k9x h HIS 58 Ca 0.20 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.55 1k9x h HIS 58 Cb 0.45 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1k9x h HIS 58 CO -0.46 0.27 0.02 1.49 -0.00 0.00 0.00 177.93 179.25 1k9x h GLU 59 N 0.78 0.70 -0.16 5.26 4.81 -0.36 -2.77 114.58 122.85 1k9x h GLU 59 Ca 0.53 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1k9x h GLU 59 Cb 0.74 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1k9x h GLU 59 CO -0.35 0.78 -0.07 -0.07 -0.73 0.00 0.00 179.01 178.56 1k9x h LEU 60 N 0.53 0.33 -1.54 1.64 3.38 0.54 -1.71 115.31 118.49 1k9x h LEU 60 Ca 0.12 -0.41 0.14 0.00 0.09 0.00 0.00 57.88 57.82 1k9x h LEU 60 Cb 0.45 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1k9x h LEU 60 CO 0.02 0.67 0.51 0.25 0.09 0.00 0.00 178.44 179.98 1k9x h LEU 61 N -0.00 0.43 -1.95 1.67 5.85 -0.69 -1.97 115.31 118.65 1k9x h LEU 61 Ca 0.03 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1k9x h LEU 61 Cb 0.54 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1k9x h LEU 61 CO 0.02 0.23 0.00 0.18 -0.34 0.00 0.00 178.44 178.53 1k9x n LEU 62 N -4.49 2.94 -4.67 2.25 4.32 -1.05 -4.52 117.00 111.78 1k9x n LEU 62 Ca 0.14 -1.11 -0.48 0.00 -0.02 0.00 0.00 56.01 54.55 1k9x n LEU 62 Cb 0.50 -0.05 -0.05 0.00 -1.62 0.00 0.00 43.42 42.21 1k9x n LEU 62 CO 0.32 0.53 1.31 1.57 -1.22 0.00 0.00 177.39 179.90 1k9x n HIS 63 N 1.26 2.23 -0.31 -1.77 -0.00 -0.65 -4.73 115.22 111.25 1k9x n HIS 63 Ca 0.14 0.19 0.27 0.00 0.46 0.00 0.00 57.72 58.78 1k9x n HIS 63 Cb 0.55 -2.58 0.49 0.00 -0.12 0.00 0.00 29.99 28.34 1k9x n HIS 63 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1k9x n PRO 64 N 4.83 -0.06 0.21 1.57 -0.02 -1.26 0.46 135.00 140.73 1k9x n PRO 64 Ca 0.20 1.33 0.14 0.00 -2.02 0.00 0.00 63.50 63.16 1k9x n PRO 64 Cb 0.27 -2.33 0.50 0.00 -0.02 0.00 0.00 33.50 31.93 1k9x n PRO 64 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1k9x h GLU 65 N 0.00 0.00 0.08 -0.52 5.08 -1.95 -1.32 114.58 115.94 1k9x h GLU 65 Ca 0.75 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.77 1k9x h GLU 65 Cb 1.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.13 1k9x h GLU 65 CO -0.77 0.00 -1.87 0.34 -1.00 0.00 0.00 179.01 175.71 1k9x n PHE 66 N -2.82 1.05 -0.19 4.33 7.35 0.17 -3.59 117.46 123.76 1k9x n PHE 66 Ca 0.02 0.28 -0.06 0.00 -0.76 0.00 0.00 57.45 56.94 1k9x n PHE 66 Cb 0.36 -1.13 0.11 0.00 0.35 0.00 0.00 39.48 39.16 1k9x n PHE 66 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1k9x h VAL 67 N -0.26 1.25 -0.17 -2.13 2.07 -1.40 -1.79 116.25 113.83 1k9x h VAL 67 Ca -0.43 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1k9x h VAL 67 Cb 1.82 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1k9x h VAL 67 CO -0.02 0.35 0.10 0.78 0.02 0.00 0.00 177.57 178.80 1k9x h ASN 68 N 0.94 0.21 -0.96 0.57 -0.26 -1.41 0.42 115.58 115.09 1k9x h ASN 68 Ca 0.20 -0.07 0.04 0.00 -0.56 0.00 0.00 56.30 55.91 1k9x h ASN 68 Cb 0.37 -0.05 -0.06 0.00 -1.06 0.00 0.00 38.32 37.52 1k9x h ASN 68 CO 0.01 0.22 0.63 -0.07 -1.06 0.00 0.00 177.43 177.15 1k9x h LEU 69 N 0.18 1.04 -0.84 1.61 3.38 -1.57 -1.00 115.31 118.10 1k9x h LEU 69 Ca 0.06 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1k9x h LEU 69 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1k9x h LEU 69 CO -0.01 0.70 -0.27 0.58 0.09 0.00 0.00 178.44 179.54 1k9x h VAL 70 N 1.20 1.27 -0.06 1.22 2.07 -0.87 -2.45 116.25 118.64 1k9x h VAL 70 Ca 0.39 -1.33 -0.16 0.00 0.82 0.00 0.00 66.70 66.42 1k9x h VAL 70 Cb 0.03 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 1k9x h VAL 70 CO -0.12 0.43 -0.67 -0.33 0.02 0.00 0.00 177.57 176.90 1k9x h GLU 71 N 0.49 0.24 -0.35 1.57 5.08 0.03 -2.47 114.58 119.17 1k9x h GLU 71 Ca 0.07 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.13 1k9x h GLU 71 Cb 0.72 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1k9x h GLU 71 CO 0.05 0.82 -0.22 -0.22 -1.00 0.00 0.00 179.01 178.44 1k9x h LYS 72 N 0.17 0.76 -0.59 2.33 3.64 -1.12 -2.64 116.57 119.12 1k9x h LYS 72 Ca -0.02 -0.36 0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1k9x h LYS 72 Cb 1.20 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 1k9x h LYS 72 CO 0.10 0.98 0.39 0.00 -2.27 0.00 0.00 179.45 178.65 1k9x h ALA 73 N 0.77 1.64 -0.01 5.00 0.00 -1.39 0.13 119.26 125.39 1k9x h ALA 73 Ca 0.07 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1k9x h ALA 73 Cb 0.78 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1k9x h ALA 73 CO 0.06 0.32 -0.28 -0.22 0.00 0.00 0.00 179.25 179.13 1k9x h LYS 74 N 0.75 0.03 -0.01 0.00 3.64 -1.15 -2.65 116.57 117.16 1k9x h LYS 74 Ca 0.23 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.45 1k9x h LYS 74 Cb 0.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1k9x h LYS 74 CO -0.06 0.31 -0.70 0.78 -2.27 0.00 0.00 179.45 177.51 1k9x h GLY 75 N 0.87 0.09 -2.58 5.01 0.00 -0.41 -3.46 103.07 102.59 1k9x h GLY 75 Ca 0.00 -0.13 -0.57 0.00 0.00 0.00 0.00 47.33 46.63 1k9x h GLY 75 CO 0.04 0.11 0.19 1.04 0.00 0.00 0.00 176.54 177.92 1k9x n LEU 76 N -3.75 4.04 -0.04 3.11 4.77 -0.91 -4.97 117.00 119.25 1k9x n LEU 76 Ca -0.02 0.81 0.04 0.00 -0.03 0.00 0.00 56.01 56.81 1k9x n LEU 76 Cb 0.68 -1.41 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1k9x n LEU 76 CO 0.44 -1.72 0.02 -0.62 -1.33 0.00 0.00 177.39 174.19 1k9x n GLU 77 N -1.13 3.95 -2.71 3.23 1.02 -1.26 -4.78 120.64 118.96 1k9x n GLU 77 Ca 0.14 -0.11 -0.24 0.00 -0.02 0.00 0.00 57.16 56.93 1k9x n GLU 77 Cb 0.47 -0.90 -0.01 0.00 -0.02 0.00 0.00 31.44 30.98 1k9x n GLU 77 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1k9x n ASN 78 N -1.01 3.80 -4.88 1.62 0.23 -1.26 -5.06 115.26 108.70 1k9x n ASN 78 Ca 0.02 -3.50 -0.33 0.00 -0.53 0.00 0.00 54.58 50.24 1k9x n ASN 78 Cb 0.13 -0.52 -0.05 0.00 -2.08 0.00 0.00 39.78 37.27 1k9x n ASN 78 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1k9x s LEU 79 N -3.35 4.32 0.00 -4.53 1.43 -1.26 -5.04 118.68 110.25 1k9x s LEU 79 Ca 0.44 0.65 -0.20 0.00 -1.03 0.00 0.00 54.13 53.99 1k9x s LEU 79 Cb 0.37 -3.03 0.29 0.00 0.03 0.00 0.00 46.19 43.85 1k9x s LEU 79 CO -0.13 0.15 1.12 -0.46 0.23 0.00 0.00 176.35 177.25 1k9x n ASN 80 N 0.63 -1.74 0.21 2.29 0.23 -1.26 -4.73 115.26 110.89 1k9x n ASN 80 Ca -0.07 -1.21 0.06 0.00 -0.53 0.00 0.00 54.58 52.84 1k9x n ASN 80 Cb 0.52 -0.99 0.45 0.00 -2.08 0.00 0.00 39.78 37.68 1k9x n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1k9x h GLU 81 N 0.00 0.00 0.00 -3.83 9.09 -1.99 -1.74 114.58 116.12 1k9x h GLU 81 Ca -0.41 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 58.89 1k9x h GLU 81 Cb 1.23 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 28.34 1k9x h GLU 81 CO 0.27 0.31 -0.45 1.88 0.05 0.00 0.00 179.01 181.07 1k9x h TYR 82 N 0.00 0.45 -0.53 2.06 0.99 -1.92 -2.99 116.97 115.03 1k9x h TYR 82 Ca -0.00 -0.24 -0.06 0.00 2.00 0.00 0.00 58.73 60.42 1k9x h TYR 82 Cb 0.65 -0.05 -0.02 0.00 1.00 0.00 0.00 36.73 38.31 1k9x h TYR 82 CO 0.00 1.06 0.09 0.93 -0.00 0.00 0.00 178.16 180.24 1k9x h GLU 83 N -0.30 0.83 -0.22 4.88 5.08 -1.74 -1.63 114.58 121.49 1k9x h GLU 83 Ca -0.06 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1k9x h GLU 83 Cb 1.19 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1k9x h GLU 83 CO 0.09 0.78 -0.07 0.00 -1.00 0.00 0.00 179.01 178.81 1k9x h ARG 84 N 0.79 0.34 -0.62 2.33 3.08 -1.38 -2.27 114.38 116.65 1k9x h ARG 84 Ca 0.17 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1k9x h ARG 84 Cb 0.35 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1k9x h ARG 84 CO 0.01 0.43 0.24 0.78 -1.07 0.00 0.00 179.97 180.36 1k9x h GLY 85 N 0.75 1.00 1.00 0.04 0.00 -1.15 -1.09 103.07 103.62 1k9x h GLY 85 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1k9x h GLY 85 CO 0.02 0.52 0.40 -2.22 0.00 0.00 0.00 176.54 175.26 1k9x h ILE 86 N 0.87 1.19 0.20 2.60 2.04 -1.05 -2.10 117.51 121.25 1k9x h ILE 86 Ca 0.21 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 1k9x h ILE 86 Cb 0.21 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1k9x h ILE 86 CO -0.02 0.19 -0.10 0.58 0.00 0.00 0.00 178.15 178.81 1k9x h VAL 87 N 0.89 0.86 -0.17 1.67 2.07 -1.21 -2.69 116.25 117.67 1k9x h VAL 87 Ca 0.24 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1k9x h VAL 87 Cb -0.04 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1k9x h VAL 87 CO -0.05 0.07 -0.42 -0.09 0.02 0.00 0.00 177.57 177.11 1k9x h ARG 88 N -0.42 -0.45 -0.20 1.57 2.43 -0.96 0.06 114.38 116.40 1k9x h ARG 88 Ca -0.03 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1k9x h ARG 88 Cb 0.32 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 1k9x h ARG 88 CO 0.05 -0.30 -0.07 0.28 -1.51 0.00 0.00 179.97 178.41 1k9x h VAL 89 N -0.46 0.74 -0.74 0.20 2.07 -1.42 -1.23 116.25 115.41 1k9x h VAL 89 Ca 0.09 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.58 1k9x h VAL 89 Cb 0.62 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1k9x h VAL 89 CO -0.42 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.45 1k9x h LEU 90 N -0.04 0.97 -0.59 2.57 3.38 -1.14 -0.62 115.31 119.84 1k9x h LEU 90 Ca 0.10 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1k9x h LEU 90 Cb 0.20 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k9x h LEU 90 CO -0.23 0.82 -0.09 -0.78 0.09 0.00 0.00 178.44 178.26 1k9x h ASP 91 N 1.06 1.03 0.38 -0.43 1.82 -0.59 0.13 116.42 119.83 1k9x h ASP 91 Ca 0.26 -0.33 -0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1k9x h ASP 91 Cb 0.12 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.86 1k9x h ASP 91 CO -0.03 1.13 -0.18 -0.09 -1.61 0.00 0.00 179.24 178.45 1k9x h ARG 92 N 0.92 -0.50 -0.87 0.28 2.43 -0.89 -0.28 114.38 115.47 1k9x h ARG 92 Ca 0.15 0.03 0.13 0.00 -0.81 0.00 0.00 59.98 59.48 1k9x h ARG 92 Cb 0.65 0.11 -0.09 0.00 -0.42 0.00 0.00 29.97 30.23 1k9x h ARG 92 CO 0.05 -0.24 0.48 0.77 -1.51 0.00 0.00 179.97 179.51 1k9x h SER 93 N -0.67 0.62 -0.12 -3.80 0.02 -1.00 -1.44 113.55 107.15 1k9x h SER 93 Ca -0.05 0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 1k9x h SER 93 Cb 0.48 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1k9x h SER 93 CO 0.09 0.29 -0.02 0.40 -1.14 0.00 0.00 176.83 176.45 1k9x h ILE 94 N 0.71 1.28 -0.46 3.27 2.04 -0.55 -0.68 117.51 123.12 1k9x h ILE 94 Ca 0.46 -0.92 0.07 0.00 1.00 0.00 0.00 64.86 65.46 1k9x h ILE 94 Cb 0.58 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 38.24 1k9x h ILE 94 CO -0.32 0.27 0.12 -0.09 0.00 0.00 0.00 178.15 178.12 1k9x h ARG 95 N -0.07 0.26 -0.57 2.37 2.43 -0.48 -2.08 114.38 116.24 1k9x h ARG 95 Ca 0.03 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 1k9x h ARG 95 Cb 0.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1k9x h ARG 95 CO 0.01 0.17 -0.08 0.82 -1.51 0.00 0.00 179.97 179.38 1k9x h ILE 96 N 0.27 1.27 -0.16 1.20 2.04 -1.26 -2.58 117.51 118.28 1k9x h ILE 96 Ca 0.22 -1.24 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1k9x h ILE 96 Cb 0.27 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1k9x h ILE 96 CO -0.27 0.44 0.06 0.00 0.00 0.00 0.00 178.15 178.38 1k9x h ALA 97 N 0.95 1.80 -0.19 1.87 0.00 -0.49 -2.71 119.26 120.49 1k9x h ALA 97 Ca 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1k9x h ALA 97 Cb 0.65 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1k9x h ALA 97 CO 0.04 0.16 -0.15 2.89 0.00 0.00 0.00 179.25 182.19 1k9x n ARG 98 N -4.46 1.87 0.18 0.00 1.85 -0.84 -4.55 116.66 110.70 1k9x n ARG 98 Ca -0.01 -3.06 0.07 0.00 -1.00 0.00 0.00 57.85 53.86 1k9x n ARG 98 Cb 0.12 -1.72 0.11 0.00 -1.05 0.00 0.00 32.46 29.91 1k9x n ARG 98 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k9x h ALA 99 N 0.97 0.83 -3.27 2.89 0.00 -1.11 -3.44 119.26 116.13 1k9x h ALA 99 Ca 0.09 -0.25 -0.67 0.00 0.00 0.00 0.00 54.91 54.09 1k9x h ALA 99 Cb 1.36 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.81 1k9x h ALA 99 CO 0.20 0.34 -0.81 -0.06 0.00 0.00 0.00 179.25 178.92 1k9x s PHE 100 N -3.09 2.74 0.62 0.00 0.40 -1.26 -4.68 117.98 112.71 1k9x s PHE 100 Ca 0.05 -0.90 -0.18 0.00 -0.60 0.00 0.00 56.93 55.29 1k9x s PHE 100 Cb 0.06 -1.83 -0.02 0.00 0.51 0.00 0.00 43.02 41.74 1k9x s PHE 100 CO 0.71 -0.37 1.27 -2.14 0.70 0.00 0.00 175.22 175.39 1k9x s PRO 101 N 0.55 2.73 0.62 0.24 0.02 -1.26 -4.76 135.00 133.14 1k9x s PRO 101 Ca -0.10 2.00 0.32 0.00 0.02 0.00 0.00 61.00 63.24 1k9x s PRO 101 Cb -0.16 -1.90 1.83 0.00 0.02 0.00 0.00 34.50 34.29 1k9x s PRO 101 CO 0.04 -1.44 2.13 -1.00 -0.33 0.00 0.00 177.00 176.40 1k9x h PRO 102 N 0.71 0.00 -0.09 5.54 0.13 -1.98 -1.21 132.00 135.10 1k9x h PRO 102 Ca -0.51 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 1k9x h PRO 102 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1k9x h PRO 102 CO 0.54 0.00 -0.14 1.05 -0.23 0.00 0.00 178.00 179.22 1k9x h GLU 103 N 0.00 0.25 -0.67 0.86 4.11 -1.99 -1.99 114.58 115.14 1k9x h GLU 103 Ca 0.05 -0.15 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 1k9x h GLU 103 Cb 0.40 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 1k9x h GLU 103 CO -0.00 0.73 0.40 0.35 0.07 0.00 0.00 179.01 180.55 1k9x h PHE 104 N -0.20 0.89 -0.82 2.06 3.57 -1.61 -1.11 116.94 119.73 1k9x h PHE 104 Ca 0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1k9x h PHE 104 Cb 0.71 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 1k9x h PHE 104 CO 0.10 0.61 0.54 0.82 -2.23 0.00 0.00 178.31 178.15 1k9x h ILE 105 N 0.91 1.20 -0.27 1.41 2.04 -1.32 0.04 117.51 121.54 1k9x h ILE 105 Ca 0.24 -0.38 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1k9x h ILE 105 Cb -0.02 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.06 1k9x h ILE 105 CO -0.04 0.20 -0.00 -0.09 0.00 0.00 0.00 178.15 178.22 1k9x h ARG 106 N 1.10 0.47 -0.72 2.37 2.43 -0.62 -1.04 114.38 118.38 1k9x h ARG 106 Ca 0.30 -0.15 -0.07 0.00 -0.81 0.00 0.00 59.98 59.25 1k9x h ARG 106 Cb -0.12 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.36 1k9x h ARG 106 CO -0.07 0.63 0.18 1.49 -1.51 0.00 0.00 179.97 180.70 1k9x h GLU 107 N 0.25 1.14 -0.52 0.20 4.81 -0.66 -0.97 114.58 118.83 1k9x h GLU 107 Ca 0.08 -0.27 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1k9x h GLU 107 Cb 0.42 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1k9x h GLU 107 CO 0.01 1.00 0.05 0.28 -0.73 0.00 0.00 179.01 179.62 1k9x h VAL 108 N 1.08 1.26 -0.42 0.32 2.07 -0.91 -0.22 116.25 119.43 1k9x h VAL 108 Ca 0.23 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1k9x h VAL 108 Cb 0.36 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1k9x h VAL 108 CO 0.00 0.36 0.23 -1.28 0.02 0.00 0.00 177.57 176.90 1k9x h SER 109 N 0.77 0.53 0.12 0.57 0.87 -0.91 -1.10 113.55 114.40 1k9x h SER 109 Ca 0.15 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1k9x h SER 109 Cb 0.46 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1k9x h SER 109 CO 0.02 0.48 -0.06 -0.33 -0.53 0.00 0.00 176.83 176.41 1k9x h GLU 110 N 0.55 -0.15 -0.25 2.24 5.08 -0.96 -2.38 114.58 118.71 1k9x h GLU 110 Ca 0.15 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1k9x h GLU 110 Cb 0.06 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1k9x h GLU 110 CO -0.02 0.09 0.15 1.15 -1.00 0.00 0.00 179.01 179.38 1k9x h THR 111 N -0.39 1.09 -0.88 1.13 2.02 -1.02 -1.46 112.91 113.40 1k9x h THR 111 Ca -0.02 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1k9x h THR 111 Cb 0.32 0.77 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 1k9x h THR 111 CO 0.03 0.08 0.55 0.00 0.37 0.00 0.00 175.52 176.55 1k9x h THR 112 N 0.32 1.24 -0.43 3.16 1.03 -1.24 0.87 112.91 117.85 1k9x h THR 112 Ca 0.09 -0.48 -0.08 0.00 -0.01 0.00 0.00 66.41 65.93 1k9x h THR 112 Cb 0.00 -0.02 -0.01 0.00 -1.07 0.00 0.00 68.15 67.05 1k9x h THR 112 CO -0.02 0.24 -0.04 0.77 -0.01 0.00 0.00 175.52 176.46 1k9x h SER 113 N 1.20 0.78 -0.37 0.00 4.64 -1.22 0.09 113.55 118.67 1k9x h SER 113 Ca 0.32 -0.33 -0.08 0.00 -0.47 0.00 0.00 61.79 61.23 1k9x h SER 113 Cb -0.09 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.78 1k9x h SER 113 CO -0.06 0.92 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.68 1k9x h LEU 114 N 0.61 0.70 -0.99 5.97 4.07 -0.77 -2.90 115.31 122.00 1k9x h LEU 114 Ca 0.12 -0.36 0.00 0.00 0.08 0.00 0.00 57.88 57.72 1k9x h LEU 114 Cb 0.55 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 1k9x h LEU 114 CO 0.03 0.89 0.64 0.00 -1.08 0.00 0.00 178.44 178.92 1k9x h ALA 115 N 0.83 1.25 -0.24 1.53 0.00 0.92 -2.24 119.26 121.31 1k9x h ALA 115 Ca 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1k9x h ALA 115 Cb 0.58 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1k9x h ALA 115 CO 0.03 0.67 -0.20 1.15 0.00 0.00 0.00 179.25 180.90 1k9x h THR 116 N 1.35 1.25 -0.15 0.00 2.02 -0.93 -0.04 112.91 116.41 1k9x h THR 116 Ca 0.36 -1.14 -0.03 0.00 0.77 0.00 0.00 66.41 66.36 1k9x h THR 116 Cb -0.12 1.29 -0.00 0.00 -1.74 0.00 0.00 68.15 67.57 1k9x h THR 116 CO -0.07 0.36 -0.03 0.11 0.37 0.00 0.00 175.52 176.25 1k9x h LYS 117 N 0.40 0.28 -0.74 6.66 1.57 -1.23 -1.38 116.57 122.14 1k9x h LYS 117 Ca 0.07 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1k9x h LYS 117 Cb 0.58 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 1k9x h LYS 117 CO 0.04 0.57 0.33 0.00 -0.57 0.00 0.00 179.45 179.82 1k9x h ALA 118 N 0.71 1.19 -0.43 3.86 0.00 -1.24 -2.64 119.26 120.71 1k9x h ALA 118 Ca 0.04 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1k9x h ALA 118 Cb 0.46 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1k9x h ALA 118 CO 0.01 0.60 0.26 2.35 0.00 0.00 0.00 179.25 182.48 1k9x h TRP 119 N 1.06 0.57 -0.26 0.00 7.01 -0.85 0.21 115.95 123.69 1k9x h TRP 119 Ca 0.25 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.27 1k9x h TRP 119 Cb 0.14 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 1k9x h TRP 119 CO 0.01 0.40 0.13 1.49 -2.79 0.00 0.00 178.44 177.68 1k9x h GLU 120 N 0.57 0.27 0.00 2.65 4.57 -0.91 0.17 114.58 121.90 1k9x h GLU 120 Ca 0.15 -0.02 -0.14 0.00 -1.18 0.00 0.00 59.36 58.18 1k9x h GLU 120 Cb -0.01 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1k9x h GLU 120 CO -0.03 0.18 -0.66 1.05 -1.18 0.00 0.00 179.01 178.37 1k9x h GLU 121 N 0.28 0.00 -0.55 1.92 4.11 -1.34 -1.99 114.58 117.00 1k9x h GLU 121 Ca 0.11 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.46 1k9x h GLU 121 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1k9x h GLU 121 CO -0.07 0.66 0.05 0.00 0.07 0.00 0.00 179.01 179.73 1k9x h ALA 122 N 1.34 0.74 -0.26 1.06 0.00 -0.01 -1.35 119.26 120.77 1k9x h ALA 122 Ca -0.01 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1k9x h ALA 122 Cb 1.17 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1k9x h ALA 122 CO 0.09 0.52 -0.48 -0.22 0.00 0.00 0.00 179.25 179.15 1k9x h LYS 123 N 0.83 0.69 -0.06 0.00 3.64 -0.57 -0.55 116.57 120.55 1k9x h LYS 123 Ca 0.16 -0.40 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 1k9x h LYS 123 Cb 0.47 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1k9x h LYS 123 CO 0.02 1.02 -0.42 0.00 -2.27 0.00 0.00 179.45 177.79 1k9x h ALA 124 N 0.91 1.18 -0.49 5.00 0.00 -1.15 -3.00 119.26 121.70 1k9x h ALA 124 Ca 0.03 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1k9x h ALA 124 Cb 1.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1k9x h ALA 124 CO 0.10 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.55 1k9x n LYS 125 N -4.02 3.01 -4.34 0.00 5.02 -0.53 -4.96 118.16 112.35 1k9x n LYS 125 Ca -0.02 -2.45 -0.38 0.00 -2.02 0.00 0.00 58.31 53.45 1k9x n LYS 125 Cb 0.47 -1.53 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 1k9x n LYS 125 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1k9x n ASP 126 N 0.79 -2.07 -3.89 4.39 8.00 -0.67 -4.89 116.55 118.21 1k9x n ASP 126 Ca 0.19 -1.13 -0.30 0.00 0.71 0.00 0.00 54.79 54.25 1k9x n ASP 126 Cb 0.62 -2.22 -0.14 0.00 -0.02 0.00 0.00 41.12 39.36 1k9x n ASP 126 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1k9x s ASP 127 N -3.47 4.22 0.45 -2.24 2.15 -0.30 -4.66 116.67 112.81 1k9x s ASP 127 Ca 0.64 -2.68 0.14 0.00 0.43 0.00 0.00 52.55 51.08 1k9x s ASP 127 Cb -0.36 -1.45 1.06 0.00 -0.30 0.00 0.00 42.92 41.87 1k9x s ASP 127 CO 0.97 -0.28 2.03 0.15 -0.17 0.00 0.00 175.17 177.87 1k9x h PHE 128 N 6.85 0.35 -0.85 -5.34 3.57 -1.91 -2.97 116.94 116.65 1k9x h PHE 128 Ca -0.06 0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.70 1k9x h PHE 128 Cb 0.93 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.52 1k9x h PHE 128 CO 0.49 0.19 0.63 0.66 -2.23 0.00 0.00 178.31 178.05 1k9x h SER 129 N 0.35 0.00 1.03 0.41 4.64 -1.95 0.72 113.55 118.75 1k9x h SER 129 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1k9x h SER 129 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1k9x h SER 129 CO -0.05 0.00 -0.13 0.29 -0.87 0.00 0.00 176.83 176.07 1k9x n LYS 130 N -4.19 0.09 -0.09 4.77 5.02 -1.12 -3.93 118.16 118.70 1k9x n LYS 130 Ca 0.17 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.40 1k9x n LYS 130 Cb 0.94 -1.59 -0.09 0.00 -0.02 0.00 0.00 35.03 34.26 1k9x n LYS 130 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1k9x n PHE 131 N -1.75 0.00 -0.31 2.13 7.35 0.08 -4.71 117.46 120.25 1k9x n PHE 131 Ca 0.06 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.73 1k9x n PHE 131 Cb 0.37 -0.75 0.01 0.00 0.35 0.00 0.00 39.48 39.46 1k9x n PHE 131 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1k9x n GLU 132 N -2.98 -0.22 0.22 -4.13 2.13 -0.22 0.43 120.64 115.88 1k9x n GLU 132 Ca -0.33 1.20 0.06 0.00 0.66 0.00 0.00 57.16 58.75 1k9x n GLU 132 Cb 0.89 -1.78 0.52 0.00 0.27 0.00 0.00 31.44 31.33 1k9x n GLU 132 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1k9x h PRO 133 N 0.00 0.03 -0.09 5.31 0.13 -1.84 -1.95 132.00 133.59 1k9x h PRO 133 Ca 0.24 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 65.19 1k9x h PRO 133 Cb 0.44 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 1k9x h PRO 133 CO -0.77 0.17 -0.70 -1.49 -0.23 0.00 0.00 178.00 174.98 1k9x h TRP 134 N 0.03 0.56 -0.45 1.56 4.06 -0.31 -2.81 115.95 118.59 1k9x h TRP 134 Ca 0.01 -0.24 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 1k9x h TRP 134 Cb 0.26 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 1k9x h TRP 134 CO 0.00 0.99 0.14 1.25 -3.56 0.00 0.00 178.44 177.26 1k9x h LEU 135 N 0.29 0.60 -0.75 -4.49 6.46 -0.47 -0.44 115.31 116.51 1k9x h LEU 135 Ca -0.02 -0.08 -0.11 0.00 -0.12 0.00 0.00 57.88 57.54 1k9x h LEU 135 Cb 1.27 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 41.03 1k9x h LEU 135 CO 0.12 0.58 -0.23 0.44 -0.62 0.00 0.00 178.44 178.73 1k9x h ASP 136 N 0.65 0.71 0.09 1.25 3.32 -1.29 0.23 116.42 121.39 1k9x h ASP 136 Ca 0.15 -0.25 -0.11 0.00 0.02 0.00 0.00 57.03 56.84 1k9x h ASP 136 Cb 0.19 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1k9x h ASP 136 CO -0.01 0.93 -0.36 0.11 -1.72 0.00 0.00 179.24 178.18 1k9x h LYS 137 N 0.62 0.37 -0.35 3.56 1.57 -1.06 -2.22 116.57 119.06 1k9x h LYS 137 Ca 0.09 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 1k9x h LYS 137 Cb 0.72 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 1k9x h LYS 137 CO 0.06 0.69 -0.40 0.82 -0.57 0.00 0.00 179.45 180.05 1k9x h ILE 138 N 0.32 1.28 -0.79 1.86 2.04 -0.62 -1.63 117.51 119.96 1k9x h ILE 138 Ca 0.03 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.32 1k9x h ILE 138 Cb 0.79 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 1k9x h ILE 138 CO 0.06 0.52 0.50 0.40 0.00 0.00 0.00 178.15 179.64 1k9x h ILE 139 N 0.68 1.21 -0.68 -0.67 2.04 -0.75 0.04 117.51 119.38 1k9x h ILE 139 Ca 0.05 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 1k9x h ILE 139 Cb 0.99 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1k9x h ILE 139 CO 0.10 0.21 0.18 -1.28 0.00 0.00 0.00 178.15 177.36 1k9x h SER 140 N 1.08 1.02 0.10 1.72 0.87 -1.26 -1.71 113.55 115.38 1k9x h SER 140 Ca 0.29 -0.23 -0.09 0.00 -1.23 0.00 0.00 61.79 60.53 1k9x h SER 140 Cb -0.09 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 1k9x h SER 140 CO -0.06 0.98 -0.30 -0.07 -0.53 0.00 0.00 176.83 176.85 1k9x h LEU 141 N 1.01 0.31 -0.48 2.23 3.38 -0.62 -1.96 115.31 119.18 1k9x h LEU 141 Ca 0.22 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1k9x h LEU 141 Cb 0.35 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1k9x h LEU 141 CO -0.00 0.61 -0.12 0.00 0.09 0.00 0.00 178.44 179.02 1k9x h ALA 142 N 1.42 0.66 -0.21 1.53 0.00 -0.62 -0.43 119.26 121.60 1k9x h ALA 142 Ca 0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1k9x h ALA 142 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1k9x h ALA 142 CO 0.05 0.57 -0.03 0.87 0.00 0.00 0.00 179.25 180.71 1k9x h LYS 143 N 0.78 0.40 -0.70 0.00 1.57 -1.11 -1.58 116.57 115.92 1k9x h LYS 143 Ca 0.12 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1k9x h LYS 143 Cb 0.67 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1k9x h LYS 143 CO 0.05 0.62 0.17 0.00 -0.57 0.00 0.00 179.45 179.71 1k9x h ARG 144 N 0.14 1.12 -0.68 3.15 3.08 -1.33 -2.40 114.38 117.45 1k9x h ARG 144 Ca 0.06 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1k9x h ARG 144 Cb 0.46 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.32 1k9x h ARG 144 CO 0.02 0.99 0.43 0.00 -1.07 0.00 0.00 179.97 180.34 1k9x h ALA 145 N 1.11 1.48 -0.65 0.04 0.00 -0.93 -1.98 119.26 118.33 1k9x h ALA 145 Ca 0.22 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1k9x h ALA 145 Cb 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1k9x h ALA 145 CO 0.00 0.47 0.11 0.00 0.00 0.00 0.00 179.25 179.83 1k9x h ALA 146 N 1.55 0.86 -0.71 0.00 0.00 -0.80 -1.99 119.26 118.16 1k9x h ALA 146 Ca 0.25 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1k9x h ALA 146 Cb -0.07 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1k9x h ALA 146 CO -0.05 0.61 0.25 0.93 0.00 0.00 0.00 179.25 180.99 1k9x h GLU 147 N 0.98 1.07 -0.18 0.00 4.39 -1.00 0.22 114.58 120.06 1k9x h GLU 147 Ca 0.20 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 1k9x h GLU 147 Cb 0.43 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1k9x h GLU 147 CO 0.01 0.89 0.07 1.88 -1.16 0.00 0.00 179.01 180.70 1k9x h TYR 148 N 1.04 0.27 -0.70 4.33 0.99 -1.16 -3.11 116.97 118.63 1k9x h TYR 148 Ca 0.23 -0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.87 1k9x h TYR 148 Cb 0.25 -0.08 -0.03 0.00 1.00 0.00 0.00 36.73 37.87 1k9x h TYR 148 CO 0.02 0.34 0.16 -0.07 -0.00 0.00 0.00 178.16 178.60 1k9x h LEU 149 N 0.13 1.07 0.00 3.88 4.07 -1.08 -3.48 115.31 119.90 1k9x h LEU 149 Ca 0.06 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1k9x h LEU 149 Cb 0.18 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.63 1k9x h LEU 149 CO -0.00 1.04 0.00 0.61 -1.08 0.00 0.00 178.44 179.00 1k9x n GLY 150 N -0.64 -0.29 3.54 0.83 0.00 0.76 -5.06 105.19 104.33 1k9x n GLY 150 Ca 0.05 -1.59 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1k9x n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k9x s TYR 151 N -3.01 -0.47 -0.16 1.61 -0.85 -1.26 -4.31 117.35 108.90 1k9x s TYR 151 Ca 0.00 0.73 -0.12 0.00 -0.52 0.00 0.00 57.07 57.16 1k9x s TYR 151 Cb 0.00 0.45 -0.23 0.00 0.38 0.00 0.00 41.96 42.56 1k9x s TYR 151 CO 0.00 -0.49 0.27 0.39 -1.52 0.00 0.00 175.55 174.21 1k9x n GLU 152 N 0.61 0.69 0.00 -3.49 4.71 -1.26 -4.90 120.64 117.00 1k9x n GLU 152 Ca -0.13 0.36 0.00 0.00 -0.01 0.00 0.00 57.16 57.38 1k9x n GLU 152 Cb 0.58 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 1k9x n GLU 152 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1k9x n GLU 153 N -3.81 0.00 -4.01 3.49 1.02 -1.26 -5.05 120.64 111.02 1k9x n GLU 153 Ca -0.33 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.49 1k9x n GLU 153 Cb 0.92 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 32.28 1k9x n GLU 153 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1k9x s GLU 154 N 0.00 3.19 0.52 3.49 2.02 -1.26 -4.97 118.70 121.68 1k9x s GLU 154 Ca 0.00 -0.47 0.25 0.00 0.02 0.00 0.00 54.97 54.77 1k9x s GLU 154 Cb 0.00 -2.93 1.37 0.00 0.10 0.00 0.00 34.13 32.67 1k9x s GLU 154 CO 0.00 0.63 1.98 -1.35 0.02 0.00 0.00 175.26 176.54 1k9x h PRO 155 N 3.72 0.05 0.00 0.39 0.11 -1.90 0.30 132.00 134.67 1k9x h PRO 155 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1k9x h PRO 155 Cb 1.18 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k9x h PRO 155 CO 0.67 0.03 0.00 -0.92 -0.21 0.00 0.00 178.00 177.57 1k9x h TYR 156 N 0.05 0.00 -0.21 0.65 -0.00 -1.91 -2.01 116.97 113.54 1k9x h TYR 156 Ca 0.29 0.00 -0.10 0.00 -0.00 0.00 0.00 58.73 58.91 1k9x h TYR 156 Cb 1.07 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.79 1k9x h TYR 156 CO -0.00 0.00 -0.32 -0.44 -0.00 0.00 0.00 178.16 177.40 1k9x h ASP 157 N 0.00 0.44 0.08 -2.11 3.32 -0.75 -1.98 116.42 115.43 1k9x h ASP 157 Ca 0.00 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.88 1k9x h ASP 157 Cb 0.10 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1k9x h ASP 157 CO 0.00 0.73 -0.04 0.00 -1.72 0.00 0.00 179.24 178.21 1k9x h ALA 158 N 1.30 -0.11 -0.62 3.45 0.00 -1.51 0.18 119.26 121.95 1k9x h ALA 158 Ca 0.05 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1k9x h ALA 158 Cb 0.74 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1k9x h ALA 158 CO 0.06 -0.49 0.09 -0.07 0.00 0.00 0.00 179.25 178.84 1k9x h LEU 159 N -0.27 0.97 -0.47 0.00 3.38 -1.64 -0.58 115.31 116.70 1k9x h LEU 159 Ca -0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 1k9x h LEU 159 Cb 0.23 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1k9x h LEU 159 CO 0.02 0.97 0.19 0.25 0.09 0.00 0.00 178.44 179.96 1k9x h LEU 160 N 0.95 0.65 -1.44 1.67 5.85 -1.24 -2.31 115.31 119.43 1k9x h LEU 160 Ca 0.19 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 1k9x h LEU 160 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1k9x h LEU 160 CO 0.01 0.64 0.02 -0.78 -0.34 0.00 0.00 178.44 177.99 1k9x h ASP 161 N 0.62 0.35 -0.72 1.25 3.58 -0.14 -1.87 116.42 119.50 1k9x h ASP 161 Ca 0.16 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.60 1k9x h ASP 161 Cb 0.19 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 1k9x h ASP 161 CO -0.01 0.40 0.48 0.25 -2.88 0.00 0.00 179.24 177.47 1k9x h LEU 162 N 0.38 0.74 0.00 2.28 6.46 -0.53 -3.06 115.31 121.57 1k9x h LEU 162 Ca 0.09 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 1k9x h LEU 162 Cb 0.22 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 1k9x h LEU 162 CO 0.00 0.51 -1.70 -1.22 -0.62 0.00 0.00 178.44 175.41 1k9x n TYR 163 N -4.46 0.03 -3.39 1.25 4.02 -1.00 -4.80 117.16 108.81 1k9x n TYR 163 Ca 0.09 0.01 -0.18 0.00 -0.01 0.00 0.00 57.90 57.81 1k9x n TYR 163 Cb 0.14 -0.38 -0.09 0.00 -0.02 0.00 0.00 39.34 38.99 1k9x n TYR 163 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1k9x s GLU 164 N -3.37 0.51 0.04 -0.72 2.56 -0.73 -4.35 118.70 112.63 1k9x s GLU 164 Ca -0.03 -0.64 -0.38 0.00 0.00 0.00 0.00 54.97 53.91 1k9x s GLU 164 Cb 0.14 -0.76 -0.19 0.00 2.00 0.00 0.00 34.13 35.33 1k9x s GLU 164 CO 0.89 -1.13 1.08 -1.91 -0.56 0.00 0.00 175.26 173.63 1k9x n GLU 165 N 4.62 0.27 0.00 4.30 2.13 -1.20 -0.48 120.64 130.28 1k9x n GLU 165 Ca 0.06 0.10 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1k9x n GLU 165 Cb 0.45 -1.58 0.00 0.00 0.27 0.00 0.00 31.44 30.58 1k9x n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k9x n GLY 166 N 1.75 2.81 3.72 8.31 0.00 -1.26 -4.54 105.19 115.98 1k9x n GLY 166 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1k9x n GLY 166 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k9x s LEU 167 N 0.00 4.37 0.27 0.99 2.96 0.36 -5.01 118.68 122.62 1k9x s LEU 167 Ca 0.00 2.70 0.10 0.00 -0.22 0.00 0.00 54.13 56.71 1k9x s LEU 167 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 1k9x s LEU 167 CO 0.00 -0.88 -0.16 -0.13 -1.32 0.00 0.00 176.35 173.86 1k9x s ARG 168 N 1.24 1.59 0.25 1.98 1.81 -1.26 -3.72 118.95 120.84 1k9x s ARG 168 Ca 0.72 -1.74 -0.04 0.00 -1.72 0.00 0.00 55.73 52.95 1k9x s ARG 168 Cb -0.46 -1.53 0.30 0.00 -0.45 0.00 0.00 34.95 32.82 1k9x s ARG 168 CO 0.32 0.24 1.82 1.15 -0.68 0.00 0.00 175.30 178.15 1k9x h THR 169 N 2.32 1.24 -0.62 0.02 2.02 -1.90 -2.10 112.91 113.89 1k9x h THR 169 Ca -0.40 -0.77 0.07 0.00 0.77 0.00 0.00 66.41 66.09 1k9x h THR 169 Cb 1.25 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1k9x h THR 169 CO 0.62 0.31 0.41 0.08 0.37 0.00 0.00 175.52 177.31 1k9x h ARG 170 N 1.00 0.54 -0.33 6.66 0.11 -1.99 -1.29 114.38 119.08 1k9x h ARG 170 Ca 0.23 -0.03 -0.12 0.00 0.10 0.00 0.00 59.98 60.16 1k9x h ARG 170 Cb 0.21 -0.12 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1k9x h ARG 170 CO -0.02 0.36 -0.27 -0.44 0.10 0.00 0.00 179.97 179.70 1k9x h ASP 171 N 0.56 0.80 -0.17 0.08 3.32 -1.80 -1.50 116.42 117.72 1k9x h ASP 171 Ca 0.27 -0.45 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 1k9x h ASP 171 Cb 0.36 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1k9x h ASP 171 CO -0.08 1.09 -0.12 0.58 -1.72 0.00 0.00 179.24 178.99 1k9x h VAL 172 N 0.53 1.33 -0.58 -1.35 2.07 -1.32 -2.00 116.25 114.93 1k9x h VAL 172 Ca 0.06 -1.23 0.09 0.00 0.82 0.00 0.00 66.70 66.44 1k9x h VAL 172 Cb 0.84 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 1k9x h VAL 172 CO 0.07 0.36 0.21 -0.08 0.02 0.00 0.00 177.57 178.16 1k9x h GLU 173 N 0.03 0.38 -0.09 1.57 4.81 -1.27 0.43 114.58 120.45 1k9x h GLU 173 Ca 0.03 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1k9x h GLU 173 Cb 0.62 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 1k9x h GLU 173 CO 0.03 0.25 -0.07 -0.22 -0.73 0.00 0.00 179.01 178.27 1k9x h LYS 174 N 0.39 -0.08 -0.31 1.92 3.64 -1.11 0.15 116.57 121.17 1k9x h LYS 174 Ca 0.29 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.58 1k9x h LYS 174 Cb 0.34 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 1k9x h LYS 174 CO -0.29 -0.05 -0.21 0.00 -2.27 0.00 0.00 179.45 176.63 1k9x h MET 175 N -0.08 0.57 0.00 1.90 -0.00 -0.64 -2.79 114.93 113.89 1k9x h MET 175 Ca 0.06 -0.21 -0.09 0.00 -0.00 0.00 0.00 59.70 59.46 1k9x h MET 175 Cb 0.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.72 1k9x h MET 175 CO -0.14 0.74 -0.43 0.74 -0.00 0.00 0.00 176.91 177.82 1k9x h PHE 176 N 0.51 0.00 -0.21 -0.10 -1.00 -0.60 -2.64 116.94 112.90 1k9x h PHE 176 Ca 0.08 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.84 1k9x h PHE 176 Cb 0.64 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 1k9x h PHE 176 CO 0.02 0.43 0.06 0.93 -1.61 0.00 0.00 178.31 178.15 1k9x h GLU 177 N 0.00 0.33 -0.75 1.51 4.39 -0.72 -0.63 114.58 118.71 1k9x h GLU 177 Ca -0.00 -0.08 0.10 0.00 0.34 0.00 0.00 59.36 59.72 1k9x h GLU 177 Cb 1.01 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.54 1k9x h GLU 177 CO 0.06 0.44 0.39 0.28 -1.16 0.00 0.00 179.01 179.02 1k9x h VAL 178 N 0.16 0.85 -0.30 3.13 2.07 -1.36 -0.29 116.25 120.52 1k9x h VAL 178 Ca 0.07 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1k9x h VAL 178 Cb 0.25 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.15 1k9x h VAL 178 CO -0.00 0.12 -0.08 -0.07 0.02 0.00 0.00 177.57 177.56 1k9x h LEU 179 N 0.65 0.47 -0.15 2.57 4.07 -1.08 -1.49 115.31 120.35 1k9x h LEU 179 Ca 0.37 -0.11 -0.13 0.00 0.08 0.00 0.00 57.88 58.09 1k9x h LEU 179 Cb 0.39 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.01 1k9x h LEU 179 CO -0.27 0.60 -0.42 -0.33 -1.08 0.00 0.00 178.44 176.94 1k9x h GLU 180 N 0.47 0.55 0.13 1.13 5.08 0.17 -0.59 114.58 121.53 1k9x h GLU 180 Ca 0.09 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 1k9x h GLU 180 Cb 0.43 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1k9x h GLU 180 CO 0.02 1.01 -0.06 0.87 -1.00 0.00 0.00 179.01 179.85 1k9x h LYS 181 N 0.19 -0.17 0.00 2.33 1.57 -0.96 -3.35 116.57 116.18 1k9x h LYS 181 Ca -0.01 0.01 -0.35 0.00 -1.87 0.00 0.00 60.65 58.43 1k9x h LYS 181 Cb 1.04 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 33.32 1k9x h LYS 181 CO 0.09 0.12 -2.33 1.63 -0.57 0.00 0.00 179.45 178.39 1k9x n LYS 182 N -5.04 0.72 -0.01 3.15 5.02 -0.57 -4.52 118.16 116.91 1k9x n LYS 182 Ca -0.09 0.09 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1k9x n LYS 182 Cb 0.20 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.66 1k9x n LYS 182 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1k9x h LEU 183 N 0.00 0.91 -0.27 -0.35 6.46 -1.24 -3.02 115.31 117.79 1k9x h LEU 183 Ca -0.52 -0.62 0.06 0.00 -0.12 0.00 0.00 57.88 56.68 1k9x h LEU 183 Cb 1.94 -0.27 -0.06 0.00 -0.73 0.00 0.00 40.66 41.54 1k9x h LEU 183 CO -0.05 1.41 -0.10 0.50 -0.62 0.00 0.00 178.44 179.58 1k9x h LYS 184 N 0.50 -0.05 0.00 1.25 3.11 -1.51 -0.30 116.57 119.57 1k9x h LYS 184 Ca -0.06 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 57.74 1k9x h LYS 184 Cb 1.45 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 32.69 1k9x h LYS 184 CO 0.17 -0.03 -0.20 -1.00 -2.81 0.00 0.00 179.45 175.57 1k9x h PRO 185 N -0.05 0.00 -0.16 1.90 0.13 -1.79 -2.52 132.00 129.51 1k9x h PRO 185 Ca 0.14 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 65.05 1k9x h PRO 185 Cb 0.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.40 1k9x h PRO 185 CO -0.31 0.20 -0.77 -0.07 -0.23 0.00 0.00 178.00 176.82 1k9x h LEU 186 N 0.00 0.95 -0.52 1.56 3.38 -1.15 -2.80 115.31 116.72 1k9x h LEU 186 Ca -0.00 -0.63 0.01 0.00 0.09 0.00 0.00 57.88 57.35 1k9x h LEU 186 Cb 0.50 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1k9x h LEU 186 CO 0.03 1.42 0.35 0.25 0.09 0.00 0.00 178.44 180.57 1k9x h LEU 187 N 0.53 0.60 0.04 1.67 5.85 -0.80 -0.40 115.31 122.80 1k9x h LEU 187 Ca -0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1k9x h LEU 187 Cb 1.40 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.26 1k9x h LEU 187 CO 0.16 0.43 -0.15 -0.78 -0.34 0.00 0.00 178.44 177.76 1k9x h ASP 188 N 0.70 -0.43 -0.37 1.25 3.58 -1.42 -0.56 116.42 119.18 1k9x h ASP 188 Ca 0.19 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.70 1k9x h ASP 188 Cb -0.07 0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 1k9x h ASP 188 CO -0.05 -0.21 0.22 0.50 -2.88 0.00 0.00 179.24 176.82 1k9x h LYS 189 N -0.27 0.51 -0.80 0.28 3.64 -1.26 -0.35 116.57 118.32 1k9x h LYS 189 Ca 0.04 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.47 1k9x h LYS 189 Cb 0.31 -0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 31.95 1k9x h LYS 189 CO -0.12 0.39 0.44 0.82 -2.27 0.00 0.00 179.45 178.71 1k9x h ILE 190 N 0.49 0.88 -0.15 2.00 2.04 -0.77 -0.24 117.51 121.75 1k9x h ILE 190 Ca 0.13 -0.25 -0.20 0.00 1.00 0.00 0.00 64.86 65.54 1k9x h ILE 190 Cb 0.01 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.18 1k9x h ILE 190 CO -0.02 0.13 -0.70 -0.07 0.00 0.00 0.00 178.15 177.49 1k9x h LEU 191 N 0.74 0.89 -0.10 1.44 3.38 -0.74 -2.98 115.31 117.93 1k9x h LEU 191 Ca 0.39 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 1k9x h LEU 191 Cb 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1k9x h LEU 191 CO -0.26 1.36 0.05 -0.33 0.09 0.00 0.00 178.44 179.35 1k9x h GLU 192 N 0.46 0.15 0.00 1.13 4.39 -0.55 -3.33 114.58 116.82 1k9x h GLU 192 Ca -0.04 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1k9x h GLU 192 Cb 1.33 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1k9x h GLU 192 CO 0.15 0.22 0.00 -1.91 -1.16 0.00 0.00 179.01 176.31 1k9x n GLU 193 N -4.94 0.00 0.00 2.33 2.13 -0.15 -4.97 120.64 115.03 1k9x n GLU 193 Ca -0.06 0.39 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1k9x n GLU 193 Cb 0.09 -1.36 0.00 0.00 0.27 0.00 0.00 31.44 30.44 1k9x n GLU 193 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1k9x n GLY 194 N -0.87 1.28 0.34 8.31 0.00 -1.13 -4.97 105.19 108.15 1k9x n GLY 194 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1k9x n GLY 194 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k9x h LYS 195 N 1.59 0.49 -5.75 1.61 1.79 -1.92 -3.35 116.57 111.03 1k9x h LYS 195 Ca 0.00 -0.03 -0.68 0.00 -2.18 0.00 0.00 60.65 57.76 1k9x h LYS 195 Cb 0.00 -0.11 -0.28 0.00 -1.58 0.00 0.00 32.23 30.26 1k9x h LYS 195 CO 0.00 0.32 -0.82 0.14 -1.08 0.00 0.00 179.45 178.01 1k9x s VAL 196 N -5.76 2.60 0.81 0.50 -7.23 -1.26 -5.06 120.40 105.00 1k9x s VAL 196 Ca -0.11 -0.85 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1k9x s VAL 196 Cb 0.28 -2.02 0.08 0.00 0.56 0.00 0.00 36.38 35.27 1k9x s VAL 196 CO 0.79 0.56 1.10 -2.16 -0.31 0.00 0.00 175.10 175.08 1k9x s PRO 197 N -0.04 1.99 0.00 4.82 0.04 -1.26 -4.70 135.00 135.85 1k9x s PRO 197 Ca -0.05 0.66 0.25 0.00 0.04 0.00 0.00 61.00 61.91 1k9x s PRO 197 Cb -0.14 -1.91 0.58 0.00 0.04 0.00 0.00 34.50 33.07 1k9x s PRO 197 CO 0.04 -1.70 1.45 0.54 0.04 0.00 0.00 177.00 177.38 1k9x n ARG 198 N -3.49 0.59 -3.81 4.56 1.74 -1.26 -1.89 116.66 113.09 1k9x n ARG 198 Ca 0.07 -0.37 -0.05 0.00 -0.77 0.00 0.00 57.85 56.73 1k9x n ARG 198 Cb 0.56 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.50 1k9x n ARG 198 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 1k9x s GLU 199 N -2.67 1.57 -0.25 5.56 -1.05 -1.26 -4.60 118.70 116.00 1k9x s GLU 199 Ca 0.19 -0.90 -0.20 0.00 -0.15 0.00 0.00 54.97 53.91 1k9x s GLU 199 Cb 0.18 0.51 0.07 0.00 -0.44 0.00 0.00 34.13 34.46 1k9x s GLU 199 CO 0.59 -0.72 0.66 -1.58 0.95 0.00 0.00 175.26 175.16 1k9x s HIS 200 N -3.37 -0.81 0.60 4.83 2.46 -1.26 -4.99 115.29 112.75 1k9x s HIS 200 Ca 0.13 1.85 0.28 0.00 0.47 0.00 0.00 55.06 57.79 1k9x s HIS 200 Cb -0.04 0.35 1.44 0.00 -0.13 0.00 0.00 32.58 34.21 1k9x s HIS 200 CO 0.06 -0.40 1.85 -1.00 -2.47 0.00 0.00 174.74 172.78 1k9x h PRO 201 N 5.70 0.00 0.00 2.88 0.13 -2.02 -0.49 132.00 138.20 1k9x h PRO 201 Ca -0.29 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1k9x h PRO 201 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1k9x h PRO 201 CO 0.12 0.00 -0.10 -0.07 -0.23 0.00 0.00 178.00 177.72 1k9x h LEU 202 N 0.00 0.00 -2.33 1.56 3.38 -1.96 -1.44 115.31 114.51 1k9x h LEU 202 Ca 0.20 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 1k9x h LEU 202 Cb 1.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1k9x h LEU 202 CO -0.00 0.10 0.18 -0.33 0.09 0.00 0.00 178.44 178.48 1k9x h GLU 203 N 0.00 0.00 0.00 1.13 5.08 -1.48 -2.27 114.58 117.05 1k9x h GLU 203 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1k9x h GLU 203 Cb 0.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1k9x h GLU 203 CO 0.01 0.00 -1.78 1.63 -1.00 0.00 0.00 179.01 177.87 1k9x n LYS 204 N -3.51 0.65 -1.82 2.33 5.02 -0.55 -3.26 118.16 117.01 1k9x n LYS 204 Ca 0.00 -0.11 -0.41 0.00 -2.02 0.00 0.00 58.31 55.77 1k9x n LYS 204 Cb 0.28 -1.60 -0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1k9x n LYS 204 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1k9x s GLU 205 N -3.42 4.13 0.32 1.97 0.41 -0.85 -4.73 118.70 116.52 1k9x s GLU 205 Ca -0.06 2.55 0.06 0.00 -0.41 0.00 0.00 54.97 57.11 1k9x s GLU 205 Cb 0.12 -2.98 -0.02 0.00 -1.78 0.00 0.00 34.13 29.48 1k9x s GLU 205 CO 0.88 -0.52 0.43 0.15 -0.49 0.00 0.00 175.26 175.70 1k9x s LYS 206 N -1.83 3.13 0.07 1.61 3.01 -1.26 -2.04 119.74 122.42 1k9x s LYS 206 Ca 0.54 -1.00 -0.17 0.00 -1.01 0.00 0.00 55.97 54.32 1k9x s LYS 206 Cb -0.46 -2.79 0.04 0.00 -1.01 0.00 0.00 37.83 33.61 1k9x s LYS 206 CO 0.60 0.14 0.41 1.52 0.51 0.00 0.00 175.35 178.53 1k9x s TYR 207 N -2.15 -0.25 0.09 3.18 -0.85 -0.94 -4.94 117.35 111.48 1k9x s TYR 207 Ca 0.42 0.11 -0.18 0.00 -0.52 0.00 0.00 57.07 56.91 1k9x s TYR 207 Cb -0.09 0.23 -0.07 0.00 0.38 0.00 0.00 41.96 42.42 1k9x s TYR 207 CO 0.30 -0.62 0.55 -1.21 -1.52 0.00 0.00 175.55 173.06 1k9x s GLU 208 N -2.94 4.13 0.15 -3.49 2.02 -1.26 -4.64 118.70 112.66 1k9x s GLU 208 Ca -0.02 0.66 -0.19 0.00 0.02 0.00 0.00 54.97 55.44 1k9x s GLU 208 Cb 0.00 -3.16 0.06 0.00 0.10 0.00 0.00 34.13 31.13 1k9x s GLU 208 CO -0.06 0.60 1.17 -2.13 0.02 0.00 0.00 175.26 174.87 1k9x n ARG 209 N 1.50 -0.26 -0.24 1.61 3.00 -1.26 -1.24 116.66 119.77 1k9x n ARG 209 Ca -0.09 1.16 0.05 0.00 -0.00 0.00 0.00 57.85 58.96 1k9x n ARG 209 Cb 0.51 -1.71 0.17 0.00 0.00 0.00 0.00 32.46 31.43 1k9x n ARG 209 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1k9x h GLU 210 N 0.00 0.21 -0.75 -0.14 3.07 -1.99 -1.40 114.58 113.59 1k9x h GLU 210 Ca 0.19 -0.01 0.17 0.00 -0.50 0.00 0.00 59.36 59.20 1k9x h GLU 210 Cb 0.38 -0.05 -0.12 0.00 -0.84 0.00 0.00 28.75 28.12 1k9x h GLU 210 CO -0.73 0.14 0.16 -1.49 -1.40 0.00 0.00 179.01 175.69 1k9x h TRP 211 N 0.22 0.25 0.00 4.33 6.55 -1.49 -1.02 115.95 124.79 1k9x h TRP 211 Ca 0.40 0.04 -0.16 0.00 0.95 0.00 0.00 58.89 60.13 1k9x h TRP 211 Cb 0.69 0.01 -0.03 0.00 -0.86 0.00 0.00 29.16 28.98 1k9x h TRP 211 CO -0.30 -0.11 -0.99 0.52 -1.05 0.00 0.00 178.44 176.51 1k9x h MET 212 N 0.24 0.00 -0.65 0.49 2.86 -1.38 -2.92 114.93 113.57 1k9x h MET 212 Ca 0.43 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.05 1k9x h MET 212 Cb 0.75 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.38 1k9x h MET 212 CO -0.54 0.52 0.34 0.93 1.06 0.00 0.00 176.91 179.22 1k9x h GLU 213 N 0.00 0.92 -0.49 1.72 5.08 -0.44 0.13 114.58 121.51 1k9x h GLU 213 Ca -0.08 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 1k9x h GLU 213 Cb 1.57 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.62 1k9x h GLU 213 CO 0.07 0.71 0.23 0.00 -1.00 0.00 0.00 179.01 179.03 1k9x h ARG 214 N 0.90 0.70 -0.20 2.33 3.08 -1.25 -1.33 114.38 118.60 1k9x h ARG 214 Ca 0.23 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 1k9x h ARG 214 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1k9x h ARG 214 CO -0.03 0.60 0.12 0.28 -1.07 0.00 0.00 179.97 179.87 1k9x h VAL 215 N 0.64 1.08 -0.66 2.04 2.07 -1.19 -0.78 116.25 119.44 1k9x h VAL 215 Ca 0.17 -0.18 -0.05 0.00 0.82 0.00 0.00 66.70 67.45 1k9x h VAL 215 Cb 0.13 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1k9x h VAL 215 CO -0.02 0.07 0.22 0.78 0.02 0.00 0.00 177.57 178.64 1k9x h ASN 216 N 0.25 0.93 -0.42 0.57 2.35 -0.60 -1.50 115.58 117.17 1k9x h ASN 216 Ca 0.07 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.57 1k9x h ASN 216 Cb 0.01 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1k9x h ASN 216 CO -0.01 0.86 -0.10 -0.07 -1.65 0.00 0.00 177.43 176.46 1k9x h LEU 217 N 0.97 0.86 0.34 1.61 3.38 -1.05 -0.48 115.31 120.94 1k9x h LEU 217 Ca 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1k9x h LEU 217 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1k9x h LEU 217 CO -0.01 0.98 -0.24 -0.25 0.09 0.00 0.00 178.44 179.01 1k9x h TRP 218 N 0.79 -0.64 -0.35 1.13 7.01 -0.58 -0.44 115.95 122.87 1k9x h TRP 218 Ca 0.13 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1k9x h TRP 218 Cb 0.61 0.24 -0.04 0.00 -2.10 0.00 0.00 29.16 27.86 1k9x h TRP 218 CO 0.03 -0.37 0.10 0.82 -2.79 0.00 0.00 178.44 176.23 1k9x h ILE 219 N -0.57 0.86 -0.45 2.65 2.04 -1.17 -1.70 117.51 119.17 1k9x h ILE 219 Ca -0.03 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 1k9x h ILE 219 Cb 0.49 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 1k9x h ILE 219 CO 0.01 0.04 0.20 -0.07 0.00 0.00 0.00 178.15 178.33 1k9x h LEU 220 N 0.23 0.57 -0.32 1.44 3.38 -0.85 -1.24 115.31 118.51 1k9x h LEU 220 Ca 0.16 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1k9x h LEU 220 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1k9x h LEU 220 CO -0.19 0.50 -0.26 -0.61 0.09 0.00 0.00 178.44 177.97 1k9x h GLN 221 N 0.63 0.75 0.00 1.13 -0.00 -0.62 0.20 115.11 117.20 1k9x h GLN 221 Ca 0.16 -0.37 -0.03 0.00 -0.00 0.00 0.00 58.65 58.41 1k9x h GLN 221 Cb 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1k9x h GLN 221 CO -0.02 0.99 -0.12 0.87 0.00 0.00 0.00 178.83 180.55 1k9x h LYS 222 N 0.51 0.00 0.00 1.69 1.79 -0.86 -0.77 116.57 118.93 1k9x h LYS 222 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1k9x h LYS 222 Cb 0.83 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1k9x h LYS 222 CO 0.07 0.12 -0.14 0.74 -1.08 0.00 0.00 179.45 179.16 1k9x h PHE 223 N 0.00 0.00 0.00 -1.35 -1.00 -0.92 -3.44 116.94 110.23 1k9x h PHE 223 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1k9x h PHE 223 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1k9x h PHE 223 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1k9x n GLY 224 N 1.14 0.67 3.67 -1.45 0.00 -0.30 -4.89 105.19 104.03 1k9x n GLY 224 Ca 0.04 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 1k9x n GLY 224 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1k9x n PHE 225 N -2.56 2.51 -1.23 1.61 7.35 -0.01 -4.85 117.46 120.28 1k9x n PHE 225 Ca 0.00 -0.26 -0.36 0.00 -0.76 0.00 0.00 57.45 56.07 1k9x n PHE 225 Cb 0.00 -2.76 -0.02 0.00 0.35 0.00 0.00 39.48 37.04 1k9x n PHE 225 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1k9x n PRO 226 N 6.92 2.57 -1.70 -7.13 -0.04 -1.26 -4.72 135.00 129.65 1k9x n PRO 226 Ca 0.20 -2.02 -0.44 0.00 -0.04 0.00 0.00 63.50 61.20 1k9x n PRO 226 Cb 0.38 -2.86 -0.02 0.00 -0.04 0.00 0.00 33.50 30.96 1k9x n PRO 226 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1k9x n LEU 227 N 5.23 3.62 0.00 1.53 7.99 -1.26 -0.70 117.00 133.42 1k9x n LEU 227 Ca 0.57 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.70 1k9x n LEU 227 Cb 0.28 -1.50 0.00 0.00 -0.11 0.00 0.00 43.42 42.09 1k9x n LEU 227 CO 0.87 -0.19 0.00 0.61 -1.51 0.00 0.00 177.39 177.17 1k9x n GLY 228 N 2.42 2.31 0.34 -0.72 0.00 -0.36 -4.69 105.19 104.49 1k9x n GLY 228 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 1k9x n GLY 228 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k9x n THR 229 N -1.94 1.27 -0.38 2.61 -1.04 -0.91 -4.89 114.28 109.01 1k9x n THR 229 Ca 0.00 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 1k9x n THR 229 Cb 0.00 -1.94 0.00 0.00 -1.82 0.00 0.00 70.33 66.57 1k9x n THR 229 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1k9x n ARG 230 N -4.06 0.21 -4.20 -2.82 1.74 0.12 -4.90 116.66 102.75 1k9x n ARG 230 Ca -0.29 -0.01 -0.12 0.00 -0.77 0.00 0.00 57.85 56.66 1k9x n ARG 230 Cb 0.63 -0.23 -0.10 0.00 -1.02 0.00 0.00 32.46 31.75 1k9x n ARG 230 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k9x s ALA 231 N -0.03 1.12 0.03 7.54 0.00 -0.15 -0.04 121.76 130.23 1k9x s ALA 231 Ca 0.00 -1.52 -0.08 0.00 0.00 0.00 0.00 51.96 50.35 1k9x s ALA 231 Cb 0.00 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.77 1k9x s ALA 231 CO 0.00 -0.38 0.17 1.03 0.00 0.00 0.00 175.76 176.57 1k9x s ARG 232 N -3.96 0.61 -0.05 0.00 0.52 -1.11 -1.22 118.95 113.75 1k9x s ARG 232 Ca 0.23 -0.56 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 1k9x s ARG 232 Cb 0.07 0.25 -0.01 0.00 0.52 0.00 0.00 34.95 35.78 1k9x s ARG 232 CO 0.02 -0.16 -0.21 -1.17 0.02 0.00 0.00 175.30 173.79 1k9x s LEU 233 N -1.85 2.00 0.24 2.53 2.96 -1.26 -1.87 118.68 121.44 1k9x s LEU 233 Ca -0.08 -0.43 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 1k9x s LEU 233 Cb -0.03 -1.18 -0.02 0.00 0.50 0.00 0.00 46.19 45.46 1k9x s LEU 233 CO -0.02 0.21 0.34 -1.81 -1.32 0.00 0.00 176.35 173.75 1k9x s ASP 234 N -0.11 0.12 -0.15 3.68 1.01 -0.46 -4.99 116.67 115.78 1k9x s ASP 234 Ca -0.03 -1.17 -0.08 0.00 0.71 0.00 0.00 52.55 51.98 1k9x s ASP 234 Cb -0.12 0.51 -0.04 0.00 1.01 0.00 0.00 42.92 44.28 1k9x s ASP 234 CO 0.03 -1.04 0.13 -0.69 0.21 0.00 0.00 175.17 173.81 1k9x s VAL 235 N -3.98 5.40 0.29 -1.27 1.01 -1.26 -1.65 120.40 118.94 1k9x s VAL 235 Ca 0.30 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.36 1k9x s VAL 235 Cb 0.02 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1k9x s VAL 235 CO 0.12 0.56 0.49 -0.94 0.00 0.00 0.00 175.10 175.32 1k9x s SER 236 N -0.53 0.27 0.05 3.32 1.04 -1.04 -4.63 113.70 112.20 1k9x s SER 236 Ca 0.12 -1.16 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 1k9x s SER 236 Cb -0.12 0.63 -0.13 0.00 0.10 0.00 0.00 66.02 66.51 1k9x s SER 236 CO 0.02 -1.24 1.47 0.00 0.98 0.00 0.00 173.24 174.47 1k9x h ALA 237 N 2.19 0.19 -3.16 5.32 0.00 -1.87 -3.40 119.26 118.53 1k9x h ALA 237 Ca -0.28 -0.20 -0.58 0.00 0.00 0.00 0.00 54.91 53.85 1k9x h ALA 237 Cb 1.25 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 18.63 1k9x h ALA 237 CO 0.38 -0.09 -0.83 -1.01 0.00 0.00 0.00 179.25 177.70 1k9x s HIS 238 N -4.90 1.97 0.30 0.00 3.76 -1.26 -4.88 115.29 110.27 1k9x s HIS 238 Ca -0.14 -1.05 -0.28 0.00 -0.15 0.00 0.00 55.06 53.45 1k9x s HIS 238 Cb 0.06 -1.47 -0.14 0.00 1.11 0.00 0.00 32.58 32.13 1k9x s HIS 238 CO 0.72 -0.59 0.98 -2.30 -0.85 0.00 0.00 174.74 172.69 1k9x n PRO 239 N 4.68 1.28 -3.79 8.40 -0.02 -1.26 -4.93 135.00 139.37 1k9x n PRO 239 Ca -0.16 0.45 -0.06 0.00 -2.02 0.00 0.00 63.50 61.70 1k9x n PRO 239 Cb 0.50 -1.81 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1k9x n PRO 239 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1k9x s PHE 240 N -1.08 -0.20 -0.02 6.00 -0.12 -1.24 -4.98 117.98 116.34 1k9x s PHE 240 Ca 0.59 -0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.33 1k9x s PHE 240 Cb -0.70 0.67 -0.01 0.00 -0.63 0.00 0.00 43.02 42.35 1k9x s PHE 240 CO 0.60 -1.05 -0.15 0.99 -0.05 0.00 0.00 175.22 175.55 1k9x s THR 241 N -3.66 1.20 -0.02 -4.49 2.01 -1.26 -2.07 115.64 107.34 1k9x s THR 241 Ca 0.11 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.50 1k9x s THR 241 Cb -0.04 -1.01 -0.00 0.00 0.01 0.00 0.00 72.50 71.46 1k9x s THR 241 CO 0.04 0.34 -0.13 0.28 -0.69 0.00 0.00 174.62 174.45 1k9x s THR 242 N -0.29 1.11 -0.85 -0.82 -1.32 -0.40 -5.02 115.64 108.04 1k9x s THR 242 Ca 0.04 -0.56 -0.16 0.00 -1.21 0.00 0.00 61.69 59.81 1k9x s THR 242 Cb -0.07 -0.95 0.19 0.00 -1.51 0.00 0.00 72.50 70.17 1k9x s THR 242 CO -0.00 0.32 0.87 -0.70 -2.21 0.00 0.00 174.62 172.90 1k9x s GLU 243 N -0.06 3.58 0.00 7.08 2.12 -1.26 -2.43 118.70 127.73 1k9x s GLU 243 Ca 0.00 -2.22 -0.20 0.00 0.36 0.00 0.00 54.97 52.90 1k9x s GLU 243 Cb -0.08 -4.56 -0.23 0.00 0.26 0.00 0.00 34.13 29.51 1k9x s GLU 243 CO 0.01 -1.44 1.10 0.74 -0.54 0.00 0.00 175.26 175.13 1k9x h PHE 244 N 8.13 0.57 -2.17 5.30 0.05 -1.80 -3.48 116.94 123.55 1k9x h PHE 244 Ca 0.11 -0.31 0.21 0.00 3.82 0.00 0.00 57.97 61.80 1k9x h PHE 244 Cb 1.04 -0.07 -0.08 0.00 2.00 0.00 0.00 35.95 38.84 1k9x h PHE 244 CO 1.07 1.12 0.57 0.20 -0.18 0.00 0.00 178.31 181.09 1k9x s GLY 245 N -4.06 -0.24 0.46 -1.45 0.00 -0.94 -4.82 107.32 96.28 1k9x s GLY 245 Ca -0.13 0.19 0.12 0.00 0.00 0.00 0.00 44.72 44.90 1k9x s GLY 245 CO 0.81 0.29 2.09 -2.22 0.00 0.00 0.00 173.10 174.07 1k9x h ILE 246 N 2.00 1.03 -0.56 0.90 2.04 -1.94 -1.29 117.51 119.70 1k9x h ILE 246 Ca -0.26 -0.10 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1k9x h ILE 246 Cb 1.22 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 37.96 1k9x h ILE 246 CO 0.27 0.05 0.11 0.54 0.00 0.00 0.00 178.15 179.12 1k9x n ARG 247 N -4.50 3.76 -3.12 2.37 1.74 -1.26 -4.50 116.66 111.15 1k9x n ARG 247 Ca 0.01 -3.07 -0.04 0.00 -0.77 0.00 0.00 57.85 53.98 1k9x n ARG 247 Cb 0.11 -2.13 -0.02 0.00 -1.02 0.00 0.00 32.46 29.41 1k9x n ARG 247 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1k9x s ASP 248 N -1.28 -1.00 -0.15 0.55 -1.08 -0.49 -4.33 116.67 108.90 1k9x s ASP 248 Ca 0.52 -1.26 0.02 0.00 -0.52 0.00 0.00 52.55 51.30 1k9x s ASP 248 Cb 0.41 1.65 0.01 0.00 -1.46 0.00 0.00 42.92 43.53 1k9x s ASP 248 CO 0.12 -0.15 -0.20 -0.69 0.52 0.00 0.00 175.17 174.78 1k9x s VAL 249 N 1.44 2.22 0.06 1.11 1.01 0.95 -2.09 120.40 125.09 1k9x s VAL 249 Ca 0.21 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1k9x s VAL 249 Cb -0.04 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1k9x s VAL 249 CO -0.06 0.54 -0.22 -0.13 0.00 0.00 0.00 175.10 175.22 1k9x s ARG 250 N 0.94 1.89 0.14 2.72 0.52 -1.02 -2.74 118.95 121.40 1k9x s ARG 250 Ca -0.04 -1.08 0.03 0.00 -0.52 0.00 0.00 55.73 54.13 1k9x s ARG 250 Cb -0.15 -2.08 -0.04 0.00 0.52 0.00 0.00 34.95 33.20 1k9x s ARG 250 CO -0.04 0.52 -0.07 0.96 0.02 0.00 0.00 175.30 176.69 1k9x s ILE 251 N -0.91 0.94 0.09 1.52 -4.36 -0.78 -1.28 121.20 116.42 1k9x s ILE 251 Ca 0.14 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.52 1k9x s ILE 251 Cb -0.10 -1.89 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1k9x s ILE 251 CO 0.04 -0.70 -0.03 0.42 0.24 0.00 0.00 174.94 174.91 1k9x s THR 252 N -3.47 0.41 0.29 8.37 -4.23 -0.88 -1.36 115.64 114.77 1k9x s THR 252 Ca 0.17 -1.88 0.02 0.00 -1.18 0.00 0.00 61.69 58.83 1k9x s THR 252 Cb 0.04 -1.68 -0.01 0.00 1.34 0.00 0.00 72.50 72.19 1k9x s THR 252 CO 0.00 -0.85 0.34 0.35 -0.54 0.00 0.00 174.62 173.92 1k9x n THR 253 N 0.01 0.00 -4.07 3.99 -2.24 -0.66 -3.65 114.28 107.66 1k9x n THR 253 Ca -0.12 -1.79 -0.11 0.00 -2.27 0.00 0.00 64.05 59.76 1k9x n THR 253 Cb 0.61 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.73 1k9x n THR 253 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k9x s ARG 254 N -2.91 0.55 -0.51 -0.78 1.70 -1.26 -2.49 118.95 113.25 1k9x s ARG 254 Ca 0.29 -0.86 -0.02 0.00 -0.47 0.00 0.00 55.73 54.67 1k9x s ARG 254 Cb 0.00 -0.17 0.13 0.00 -0.57 0.00 0.00 34.95 34.35 1k9x s ARG 254 CO 0.21 0.01 0.31 0.71 -1.08 0.00 0.00 175.30 175.46 1k9x s TYR 255 N -1.96 3.48 0.36 5.89 1.51 -1.26 -4.32 117.35 121.05 1k9x s TYR 255 Ca -0.06 -2.63 0.11 0.00 -1.01 0.00 0.00 57.07 53.48 1k9x s TYR 255 Cb -0.06 -3.18 0.88 0.00 -0.11 0.00 0.00 41.96 39.49 1k9x s TYR 255 CO -0.01 -0.90 1.84 0.93 -1.11 0.00 0.00 175.55 176.30 1k9x h GLU 256 N 7.46 0.61 0.00 -0.62 3.07 -1.98 -3.45 114.58 119.66 1k9x h GLU 256 Ca -0.07 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1k9x h GLU 256 Cb 0.99 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 1k9x h GLU 256 CO 0.70 0.40 0.00 0.41 -1.40 0.00 0.00 179.01 179.12 1k9x n GLY 257 N -1.43 0.81 3.51 -3.84 0.00 -1.26 -5.06 105.19 97.93 1k9x n GLY 257 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1k9x n GLY 257 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1k9x s TYR 258 N -2.00 -0.34 -0.74 1.61 -0.85 -1.26 -2.21 117.35 111.56 1k9x s TYR 258 Ca 0.00 0.24 -0.02 0.00 -0.52 0.00 0.00 57.07 56.76 1k9x s TYR 258 Cb 0.00 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.84 1k9x s TYR 258 CO 0.00 -0.51 0.67 -3.47 -1.52 0.00 0.00 175.55 170.72 1k9x n ASP 259 N -0.16 -6.33 -0.03 -0.18 2.03 -0.86 -4.87 116.55 106.15 1k9x n ASP 259 Ca -0.08 -0.32 0.24 0.00 0.52 0.00 0.00 54.79 55.15 1k9x n ASP 259 Cb 0.61 -4.48 0.70 0.00 -0.72 0.00 0.00 41.12 37.23 1k9x n ASP 259 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1k9x h PHE 260 N -0.25 0.00 -0.91 -0.67 -5.15 -1.81 -2.20 116.94 105.94 1k9x h PHE 260 Ca -0.25 0.00 0.18 0.00 -0.20 0.00 0.00 57.97 57.70 1k9x h PHE 260 Cb 1.13 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 37.19 1k9x h PHE 260 CO 0.21 0.00 0.49 0.07 -2.00 0.00 0.00 178.31 177.08 1k9x h ARG 261 N 0.00 0.60 0.22 6.09 0.11 -1.92 -2.82 114.38 116.65 1k9x h ARG 261 Ca 0.30 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.35 1k9x h ARG 261 Cb 1.52 -0.14 -0.04 0.00 1.11 0.00 0.00 29.97 32.43 1k9x h ARG 261 CO -0.00 0.40 -0.49 0.00 0.10 0.00 0.00 179.97 179.98 1k9x h ARG 262 N 0.62 -0.75 -0.25 0.08 3.08 -1.73 -1.41 114.38 114.02 1k9x h ARG 262 Ca 0.53 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.61 1k9x h ARG 262 Cb 0.84 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1k9x h ARG 262 CO -0.41 -0.50 0.08 0.00 -1.07 0.00 0.00 179.97 178.07 1k9x h THR 263 N -0.77 1.11 0.14 2.04 1.03 -1.69 -1.46 112.91 113.31 1k9x h THR 263 Ca -0.02 -0.37 -0.01 0.00 -0.01 0.00 0.00 66.41 66.00 1k9x h THR 263 Cb 0.74 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 1k9x h THR 263 CO -0.21 0.14 -0.07 0.40 -0.01 0.00 0.00 175.52 175.77 1k9x h ILE 264 N 0.35 1.01 -0.57 0.00 2.04 -1.32 -2.36 117.51 116.65 1k9x h ILE 264 Ca 0.09 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.05 1k9x h ILE 264 Cb 0.11 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1k9x h ILE 264 CO -0.01 0.20 0.28 -0.07 0.00 0.00 0.00 178.15 178.56 1k9x h LEU 265 N -0.63 0.72 0.35 1.44 3.38 -1.17 -1.58 115.31 117.82 1k9x h LEU 265 Ca -0.02 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1k9x h LEU 265 Cb 0.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1k9x h LEU 265 CO 0.03 0.60 -0.22 0.28 0.09 0.00 0.00 178.44 179.23 1k9x h SER 266 N 0.80 -0.55 -0.16 -0.43 0.02 -1.26 0.19 113.55 112.17 1k9x h SER 266 Ca 0.20 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1k9x h SER 266 Cb 0.07 0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 1k9x h SER 266 CO -0.03 -0.35 -0.19 0.74 -1.14 0.00 0.00 176.83 175.86 1k9x h THR 267 N -0.55 0.51 -0.37 -2.27 2.02 -0.99 0.97 112.91 112.24 1k9x h THR 267 Ca -0.04 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.15 1k9x h THR 267 Cb 0.45 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1k9x h THR 267 CO 0.04 0.00 0.23 0.58 0.37 0.00 0.00 175.52 176.73 1k9x h VAL 268 N -0.22 1.07 -0.40 3.16 2.07 -1.22 0.24 116.25 120.94 1k9x h VAL 268 Ca 0.11 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.55 1k9x h VAL 268 Cb 0.39 0.56 -0.07 0.00 -1.52 0.00 0.00 31.29 30.64 1k9x h VAL 268 CO -0.29 0.09 -0.05 -0.74 0.02 0.00 0.00 177.57 176.59 1k9x h HIS 269 N 0.47 -0.12 -0.01 1.57 6.17 0.22 -0.48 115.15 122.97 1k9x h HIS 269 Ca 0.14 0.03 -0.13 0.00 0.71 0.00 0.00 60.37 61.13 1k9x h HIS 269 Cb -0.03 0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.00 1k9x h HIS 269 CO -0.06 -0.13 -0.59 0.93 0.71 0.00 0.00 177.93 178.79 1k9x h GLU 270 N 0.05 0.03 -0.84 5.26 4.39 -0.39 -2.86 114.58 120.22 1k9x h GLU 270 Ca 0.20 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.88 1k9x h GLU 270 Cb 0.29 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.90 1k9x h GLU 270 CO -0.37 0.61 0.54 0.35 -1.16 0.00 0.00 179.01 178.98 1k9x h PHE 271 N 0.02 1.07 -0.55 4.33 3.57 0.72 -0.28 116.94 125.82 1k9x h PHE 271 Ca -0.01 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1k9x h PHE 271 Cb 1.04 -0.36 -0.07 0.00 2.79 0.00 0.00 35.95 39.36 1k9x h PHE 271 CO 0.00 0.68 0.18 0.78 -2.23 0.00 0.00 178.31 177.72 1k9x h GLY 272 N 1.14 0.73 0.94 2.40 0.00 -0.91 0.17 103.07 107.55 1k9x h GLY 272 Ca 0.31 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 1k9x h GLY 272 CO -0.06 -0.03 -0.08 0.45 0.00 0.00 0.00 176.54 176.81 1k9x h HIS 273 N 0.34 -0.21 -0.52 5.60 3.86 -1.34 -3.10 115.15 119.78 1k9x h HIS 273 Ca 0.28 -0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.56 1k9x h HIS 273 Cb 0.34 0.07 -0.06 0.00 1.06 0.00 0.00 27.41 28.82 1k9x h HIS 273 CO -0.19 -0.08 0.17 0.00 0.86 0.00 0.00 177.93 178.69 1k9x h ALA 274 N 0.52 0.63 -0.97 2.45 0.00 -0.31 -2.22 119.26 119.36 1k9x h ALA 274 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.04 1k9x h ALA 274 Cb 0.23 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.02 1k9x h ALA 274 CO 0.04 -0.24 0.63 1.25 0.00 0.00 0.00 179.25 180.93 1k9x h LEU 275 N 0.33 0.98 -0.46 0.00 5.85 -0.67 0.25 115.31 121.59 1k9x h LEU 275 Ca 0.25 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1k9x h LEU 275 Cb 0.30 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 1k9x h LEU 275 CO -0.28 0.61 0.25 0.22 -0.34 0.00 0.00 178.44 178.90 1k9x h TYR 276 N 1.10 0.46 -0.16 1.25 5.03 -1.32 0.12 116.97 123.45 1k9x h TYR 276 Ca 0.43 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.57 1k9x h TYR 276 Cb 0.24 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.38 1k9x h TYR 276 CO -0.00 0.25 -0.66 0.93 -1.32 0.00 0.00 178.16 177.35 1k9x h GLU 277 N 0.50 0.61 -0.68 1.82 4.39 -1.14 -3.25 114.58 116.84 1k9x h GLU 277 Ca 0.19 -0.45 -0.04 0.00 0.34 0.00 0.00 59.36 59.40 1k9x h GLU 277 Cb 0.06 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1k9x h GLU 277 CO -0.11 1.07 0.25 1.25 -1.16 0.00 0.00 179.01 180.31 1k9x h LEU 278 N 0.44 0.95 -3.39 1.33 5.85 -0.12 -3.05 115.31 117.32 1k9x h LEU 278 Ca -0.02 -0.18 -0.34 0.00 0.84 0.00 0.00 57.88 58.18 1k9x h LEU 278 Cb 1.25 -0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 1k9x h LEU 278 CO 0.13 0.88 0.44 0.00 -0.34 0.00 0.00 178.44 179.54 1k9x n GLN 279 N -4.37 1.84 -2.30 1.25 6.02 0.39 -4.90 117.38 115.30 1k9x n GLN 279 Ca 0.05 -1.73 -0.30 0.00 -0.01 0.00 0.00 57.00 55.00 1k9x n GLN 279 Cb 0.19 -1.68 -0.01 0.00 1.02 0.00 0.00 30.24 29.76 1k9x n GLN 279 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1k9x s GLN 280 N -1.98 3.68 -0.38 -1.09 2.00 -1.15 -3.80 119.66 116.94 1k9x s GLN 280 Ca 0.34 0.62 -0.28 0.00 -2.00 0.00 0.00 55.36 54.03 1k9x s GLN 280 Cb 0.27 -2.21 0.02 0.00 0.80 0.00 0.00 33.01 31.89 1k9x s GLN 280 CO 0.02 -0.35 1.06 0.34 -0.50 0.00 0.00 175.29 175.86 1k9x s ASP 281 N -3.80 6.78 0.54 6.67 -1.08 -1.26 -4.91 116.67 119.61 1k9x s ASP 281 Ca 0.53 0.76 0.31 0.00 -0.52 0.00 0.00 52.55 53.63 1k9x s ASP 281 Cb -0.11 -2.53 1.69 0.00 -1.46 0.00 0.00 42.92 40.52 1k9x s ASP 281 CO 0.44 -0.99 1.94 -0.33 0.52 0.00 0.00 175.17 176.75 1k9x h GLU 282 N 8.52 0.00 0.00 4.34 5.08 -1.96 0.64 114.58 131.20 1k9x h GLU 282 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1k9x h GLU 282 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1k9x h GLU 282 CO 1.05 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 179.60 1k9x n ARG 283 N -2.69 0.11 -0.14 2.33 1.74 -1.26 -2.09 116.66 114.66 1k9x n ARG 283 Ca -0.02 0.35 0.12 0.00 -0.77 0.00 0.00 57.85 57.53 1k9x n ARG 283 Cb 0.18 -1.71 0.18 0.00 -1.02 0.00 0.00 32.46 30.09 1k9x n ARG 283 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1k9x n PHE 284 N -1.92 0.36 -1.56 -1.55 3.72 0.22 -5.00 117.46 111.73 1k9x n PHE 284 Ca 0.03 -0.18 -0.49 0.00 -0.05 0.00 0.00 57.45 56.75 1k9x n PHE 284 Cb 0.20 -0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.70 1k9x n PHE 284 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 176.76 176.59 1k9x n MET 285 N 1.43 0.99 -0.87 -1.08 1.56 -0.89 -0.95 117.12 117.31 1k9x n MET 285 Ca 0.18 0.35 0.00 0.00 -0.27 0.00 0.00 57.70 57.96 1k9x n MET 285 Cb 0.60 -1.81 0.00 0.00 2.15 0.00 0.00 33.22 34.16 1k9x n MET 285 CO 0.00 0.00 0.00 1.19 -0.73 0.00 0.00 175.97 176.43 1k9x n PHE 286 N 1.33 0.00 -3.84 1.12 0.99 -1.26 -5.00 117.46 110.79 1k9x n PHE 286 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.39 1k9x n PHE 286 Cb 0.24 -0.87 -0.03 0.00 -1.00 0.00 0.00 39.48 37.82 1k9x n PHE 286 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1k9x s THR 287 N -2.01 3.98 -1.39 4.37 -4.23 -0.13 -4.56 115.64 111.67 1k9x s THR 287 Ca 0.00 -1.29 0.17 0.00 -1.18 0.00 0.00 61.69 59.40 1k9x s THR 287 Cb 0.00 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.80 1k9x s THR 287 CO 0.00 -0.23 1.52 -0.81 -0.54 0.00 0.00 174.62 174.57 1k9x n PRO 288 N -1.37 0.22 0.12 3.99 -0.04 -1.26 -2.68 135.00 133.98 1k9x n PRO 288 Ca -0.04 0.13 0.03 0.00 -0.04 0.00 0.00 63.50 63.58 1k9x n PRO 288 Cb 0.59 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 1k9x n PRO 288 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1k9x h ILE 289 N 0.00 0.73 -3.50 0.52 2.04 -1.91 -3.44 117.51 111.96 1k9x h ILE 289 Ca 0.00 -2.08 -0.53 0.00 1.00 0.00 0.00 64.86 63.25 1k9x h ILE 289 Cb 0.18 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 1k9x h ILE 289 CO 0.00 0.41 0.18 0.00 0.00 0.00 0.00 178.15 178.74 1k9x s ALA 290 N -2.98 3.43 0.00 1.87 0.00 -1.09 -0.63 121.76 122.36 1k9x s ALA 290 Ca 0.03 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1k9x s ALA 290 Cb 0.08 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1k9x s ALA 290 CO 0.76 0.24 0.00 0.41 0.00 0.00 0.00 175.76 177.17 1k9x n GLY 291 N 1.78 2.25 3.77 0.00 0.00 -1.26 -4.81 105.19 106.92 1k9x n GLY 291 Ca -0.05 -2.04 -0.40 0.00 0.00 0.00 0.00 46.02 43.53 1k9x n GLY 291 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k9x n GLY 292 N 0.32 1.11 0.12 -0.02 0.00 -1.26 -3.38 105.19 102.09 1k9x n GLY 292 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1k9x n GLY 292 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1k9x h VAL 293 N 2.52 1.07 -2.49 1.61 3.04 -1.95 -3.45 116.25 116.61 1k9x h VAL 293 Ca -0.51 -2.46 0.11 0.00 -1.01 0.00 0.00 66.70 62.83 1k9x h VAL 293 Cb 1.26 2.49 -0.11 0.00 -2.01 0.00 0.00 31.29 32.92 1k9x h VAL 293 CO 0.62 0.60 0.42 -0.94 -1.01 0.00 0.00 177.57 177.26 1k9x s SER 294 N -6.52 -0.32 0.27 3.17 1.04 -1.26 -4.88 113.70 105.20 1k9x s SER 294 Ca 0.03 -0.20 -0.04 0.00 0.48 0.00 0.00 55.95 56.21 1k9x s SER 294 Cb 0.08 0.49 0.34 0.00 0.10 0.00 0.00 66.02 67.03 1k9x s SER 294 CO 0.76 -0.85 1.94 -0.07 0.98 0.00 0.00 173.24 176.01 1k9x h LEU 295 N 2.00 1.07 -0.73 2.42 3.38 -1.94 -0.20 115.31 121.32 1k9x h LEU 295 Ca -0.24 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.60 1k9x h LEU 295 Cb 1.25 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1k9x h LEU 295 CO 0.29 0.77 -0.11 1.23 0.09 0.00 0.00 178.44 180.71 1k9x h GLY 296 N 1.26 0.93 1.46 0.83 0.00 -1.85 0.13 103.07 105.83 1k9x h GLY 296 Ca 0.34 -0.72 -0.27 0.00 0.00 0.00 0.00 47.33 46.68 1k9x h GLY 296 CO -0.08 0.66 -1.16 -2.22 0.00 0.00 0.00 176.54 173.74 1k9x h ILE 297 N 0.77 1.38 -0.64 2.60 1.08 -1.86 -2.71 117.51 118.13 1k9x h ILE 297 Ca 0.13 -2.65 -0.04 0.00 -0.39 0.00 0.00 64.86 61.91 1k9x h ILE 297 Cb 0.62 2.70 -0.03 0.00 -3.07 0.00 0.00 36.82 37.04 1k9x h ILE 297 CO 0.04 0.79 0.26 -0.74 -0.69 0.00 0.00 178.15 177.82 1k9x h HIS 298 N 0.20 0.97 -0.39 1.37 2.76 -0.92 -2.36 115.15 116.77 1k9x h HIS 298 Ca -0.14 -0.07 -0.05 0.00 -2.20 0.00 0.00 60.37 57.91 1k9x h HIS 298 Cb 1.84 -0.29 -0.02 0.00 1.55 0.00 0.00 27.41 30.49 1k9x h HIS 298 CO 0.08 0.76 0.03 0.93 -1.30 0.00 0.00 177.93 178.43 1k9x h GLU 299 N 0.90 0.61 -0.28 5.26 4.39 -0.75 -1.78 114.58 122.94 1k9x h GLU 299 Ca 0.22 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 1k9x h GLU 299 Cb 0.19 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1k9x h GLU 299 CO -0.02 0.61 0.04 0.66 -1.16 0.00 0.00 179.01 179.14 1k9x h SER 300 N 0.59 0.37 -0.16 1.42 4.64 -1.09 -1.37 113.55 117.95 1k9x h SER 300 Ca 0.13 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1k9x h SER 300 Cb 0.33 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1k9x h SER 300 CO 0.01 0.41 -0.11 1.56 -0.87 0.00 0.00 176.83 177.83 1k9x h GLN 301 N 0.40 0.35 -0.37 4.77 1.08 -0.92 -1.94 115.11 118.48 1k9x h GLN 301 Ca 0.09 -0.17 -0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1k9x h GLN 301 Cb 0.21 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 1k9x h GLN 301 CO 0.00 0.69 -0.39 0.66 -0.95 0.00 0.00 178.83 178.85 1k9x h SER 302 N 0.01 0.95 0.62 1.46 4.64 -1.24 -2.99 113.55 117.00 1k9x h SER 302 Ca 0.03 -0.43 -0.10 0.00 -0.47 0.00 0.00 61.79 60.82 1k9x h SER 302 Cb 0.60 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1k9x h SER 302 CO 0.03 1.22 -0.46 0.03 -0.87 0.00 0.00 176.83 176.78 1k9x h ARG 303 N 0.73 0.00 0.62 4.77 2.47 -1.31 0.18 114.38 121.84 1k9x h ARG 303 Ca 0.06 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 1k9x h ARG 303 Cb 0.97 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.30 1k9x h ARG 303 CO 0.09 0.46 -0.30 0.35 0.56 0.00 0.00 179.97 181.13 1k9x h PHE 304 N 0.00 -0.78 -0.38 3.04 3.57 -1.24 0.21 116.94 121.37 1k9x h PHE 304 Ca -0.00 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1k9x h PHE 304 Cb 0.89 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 1k9x h PHE 304 CO 0.00 -0.46 -0.02 -1.49 -2.23 0.00 0.00 178.31 174.11 1k9x h TRP 305 N -0.89 0.75 -0.01 0.41 4.06 -1.46 -1.31 115.95 117.49 1k9x h TRP 305 Ca -0.09 -0.14 -0.00 0.00 2.06 0.00 0.00 58.89 60.73 1k9x h TRP 305 Cb 0.66 -0.19 -0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1k9x h TRP 305 CO -0.02 0.78 0.00 1.49 -3.56 0.00 0.00 178.44 177.13 1k9x h GLU 306 N 0.50 0.02 0.00 0.49 4.81 -0.91 0.48 114.58 119.97 1k9x h GLU 306 Ca 0.11 -0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.99 1k9x h GLU 306 Cb 0.49 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 1k9x h GLU 306 CO 0.02 0.19 -2.32 0.09 -0.73 0.00 0.00 179.01 176.26 1k9x n ASN 307 N -5.00 2.10 -0.07 1.04 3.02 0.74 -2.88 115.26 114.21 1k9x n ASN 307 Ca -0.07 -0.12 -0.13 0.00 -0.03 0.00 0.00 54.58 54.23 1k9x n ASN 307 Cb 0.11 -0.29 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 1k9x n ASN 307 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1k9x h ILE 308 N 0.00 1.28 0.00 2.41 5.03 -1.20 -3.25 117.51 121.79 1k9x h ILE 308 Ca -0.52 -1.66 -0.04 0.00 -0.12 0.00 0.00 64.86 62.53 1k9x h ILE 308 Cb 1.82 1.55 -0.01 0.00 -3.03 0.00 0.00 36.82 37.15 1k9x h ILE 308 CO -0.07 0.54 -1.08 -0.38 -0.68 0.00 0.00 178.15 176.47 1k9x n ILE 309 N -4.02 1.49 -0.37 -0.67 5.41 -0.91 -4.36 119.36 115.93 1k9x n ILE 309 Ca -0.03 0.11 0.28 0.00 1.00 0.00 0.00 62.75 64.11 1k9x n ILE 309 Cb 0.58 -2.29 0.54 0.00 -0.71 0.00 0.00 39.64 37.77 1k9x n ILE 309 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1k9x h GLY 310 N -0.96 1.65 -2.22 7.39 0.00 0.05 -0.37 103.07 108.60 1k9x h GLY 310 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1k9x h GLY 310 CO -0.03 -0.39 0.00 0.54 0.00 0.00 0.00 176.54 176.66 1k9x n ARG 311 N -4.85 2.58 -2.56 4.80 1.74 -1.14 -4.69 116.66 112.54 1k9x n ARG 311 Ca 0.32 -2.36 -0.34 0.00 -0.77 0.00 0.00 57.85 54.70 1k9x n ARG 311 Cb 1.11 -1.48 -0.04 0.00 -1.02 0.00 0.00 32.46 31.03 1k9x n ARG 311 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1k9x s SER 312 N -1.15 6.40 0.25 0.55 1.04 -0.15 -4.85 113.70 115.78 1k9x s SER 312 Ca 0.39 1.92 -0.04 0.00 0.48 0.00 0.00 55.95 58.71 1k9x s SER 312 Cb 0.21 -2.56 0.43 0.00 0.10 0.00 0.00 66.02 64.21 1k9x s SER 312 CO 0.29 -0.74 1.79 0.50 0.98 0.00 0.00 173.24 176.05 1k9x h LYS 313 N 1.63 0.68 -0.13 4.02 1.63 -1.94 -1.56 116.57 120.91 1k9x h LYS 313 Ca -0.49 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.24 1k9x h LYS 313 Cb 1.22 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1k9x h LYS 313 CO 0.59 0.45 -0.03 0.93 -3.45 0.00 0.00 179.45 177.94 1k9x h GLU 314 N 0.70 0.18 -0.11 1.90 3.07 -1.91 -1.31 114.58 117.11 1k9x h GLU 314 Ca 0.41 -0.03 -0.17 0.00 -0.50 0.00 0.00 59.36 59.08 1k9x h GLU 314 Cb 0.47 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 1k9x h GLU 314 CO -0.29 0.23 -0.58 0.35 -1.40 0.00 0.00 179.01 177.32 1k9x h PHE 315 N 0.18 0.79 -0.75 4.33 3.57 -1.51 -2.41 116.94 121.15 1k9x h PHE 315 Ca 0.04 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.19 1k9x h PHE 315 Cb 0.18 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1k9x h PHE 315 CO 0.00 1.15 0.47 0.28 -2.23 0.00 0.00 178.31 177.98 1k9x h VAL 316 N 0.21 1.21 -0.62 1.41 2.07 -1.01 0.22 116.25 119.73 1k9x h VAL 316 Ca -0.04 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1k9x h VAL 316 Cb 1.23 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1k9x h VAL 316 CO 0.12 0.21 0.11 -0.33 0.02 0.00 0.00 177.57 177.70 1k9x h GLU 317 N 1.02 1.00 -0.22 1.57 5.08 -1.27 1.01 114.58 122.77 1k9x h GLU 317 Ca 0.27 -0.25 -0.10 0.00 -1.00 0.00 0.00 59.36 58.29 1k9x h GLU 317 Cb -0.07 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1k9x h GLU 317 CO -0.05 0.92 -0.29 1.25 -1.00 0.00 0.00 179.01 179.84 1k9x h LEU 318 N 0.94 0.44 0.00 1.33 5.85 -0.85 -3.22 115.31 119.79 1k9x h LEU 318 Ca 0.19 -0.15 -0.23 0.00 0.84 0.00 0.00 57.88 58.53 1k9x h LEU 318 Cb 0.40 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1k9x h LEU 318 CO 0.01 0.71 -1.47 0.40 -0.34 0.00 0.00 178.44 177.76 1k9x h ILE 319 N 0.38 0.82 -0.74 4.05 1.08 -0.03 -3.42 117.51 119.66 1k9x h ILE 319 Ca 0.05 -2.51 0.08 0.00 -0.39 0.00 0.00 64.86 62.09 1k9x h ILE 319 Cb 0.70 2.33 -0.11 0.00 -3.07 0.00 0.00 36.82 36.67 1k9x h ILE 319 CO 0.05 0.47 -0.53 0.22 -0.69 0.00 0.00 178.15 177.67 1k9x h TYR 320 N 0.00 -1.65 -0.94 1.37 3.20 0.10 -1.89 116.97 117.17 1k9x h TYR 320 Ca -0.20 0.10 0.15 0.00 3.14 0.00 0.00 58.73 61.93 1k9x h TYR 320 Cb 1.81 0.82 -0.08 0.00 1.54 0.00 0.00 36.73 40.82 1k9x h TYR 320 CO 0.00 -0.42 0.60 -1.00 -1.64 0.00 0.00 178.16 175.70 1k9x h PRO 321 N -0.16 0.72 -0.15 1.82 0.13 -1.80 0.20 132.00 132.75 1k9x h PRO 321 Ca 0.16 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 1k9x h PRO 321 Cb 0.51 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1k9x h PRO 321 CO -0.79 0.48 -0.34 0.28 -0.23 0.00 0.00 178.00 177.39 1k9x h VAL 322 N 0.74 1.28 -0.27 1.56 2.07 -1.64 -1.69 116.25 118.31 1k9x h VAL 322 Ca 0.48 -1.38 -0.06 0.00 0.82 0.00 0.00 66.70 66.56 1k9x h VAL 322 Cb 0.75 1.55 -0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1k9x h VAL 322 CO -0.25 0.42 -0.07 -0.07 0.02 0.00 0.00 177.57 177.63 1k9x h LEU 323 N 0.26 0.53 -1.66 2.57 3.38 -0.52 -2.79 115.31 117.09 1k9x h LEU 323 Ca 0.03 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1k9x h LEU 323 Cb 0.74 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1k9x h LEU 323 CO 0.06 0.77 -0.19 0.11 0.09 0.00 0.00 178.44 179.28 1k9x h LYS 324 N 0.29 0.00 -0.00 1.13 1.57 -0.97 0.25 116.57 118.83 1k9x h LYS 324 Ca 0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.68 1k9x h LYS 324 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1k9x h LYS 324 CO 0.03 0.19 -0.79 0.93 -0.57 0.00 0.00 179.45 179.24 1k9x h GLU 325 N 0.00 0.06 0.00 3.15 5.08 -1.15 -3.36 114.58 118.37 1k9x h GLU 325 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1k9x h GLU 325 Cb 0.37 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1k9x h GLU 325 CO 0.03 0.81 -0.62 0.09 -1.00 0.00 0.00 179.01 178.31 1k9x n ASN 326 N -3.65 0.87 -4.11 1.42 3.02 -1.07 -4.92 115.26 106.84 1k9x n ASN 326 Ca -0.02 -0.59 -0.34 0.00 -0.03 0.00 0.00 54.58 53.61 1k9x n ASN 326 Cb 0.75 1.08 -0.14 0.00 -0.61 0.00 0.00 39.78 40.87 1k9x n ASN 326 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k9x s LEU 327 N -2.67 4.46 0.27 3.41 1.43 0.85 -4.81 118.68 121.62 1k9x s LEU 327 Ca 0.02 -1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 51.38 1k9x s LEU 327 Cb 0.07 -1.71 0.50 0.00 0.03 0.00 0.00 46.19 45.08 1k9x s LEU 327 CO 0.39 -0.37 1.83 -0.65 0.23 0.00 0.00 176.35 177.78 1k9x h PRO 328 N 7.89 0.92 0.00 1.29 0.11 -1.85 -1.19 132.00 139.17 1k9x h PRO 328 Ca -0.14 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1k9x h PRO 328 Cb 1.04 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1k9x h PRO 328 CO 0.57 0.61 0.00 0.27 -0.21 0.00 0.00 178.00 179.24 1k9x h PHE 329 N 0.94 0.00 0.00 0.65 -5.15 -1.94 -2.73 116.94 108.71 1k9x h PHE 329 Ca 0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.24 1k9x h PHE 329 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.61 1k9x h PHE 329 CO -0.02 0.00 0.00 -1.33 -2.00 0.00 0.00 178.31 174.96 1k9x n MET 330 N -2.45 0.05 0.31 6.09 2.81 -0.45 -2.20 117.12 121.27 1k9x n MET 330 Ca 0.01 0.30 0.19 0.00 -1.81 0.00 0.00 57.70 56.39 1k9x n MET 330 Cb 0.18 -1.50 0.99 0.00 -0.71 0.00 0.00 33.22 32.18 1k9x n MET 330 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1k9x h SER 331 N 0.00 0.00 -0.51 7.83 4.64 -1.67 -1.81 113.55 122.03 1k9x h SER 331 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k9x h SER 331 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1k9x h SER 331 CO 0.00 0.02 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1k9x n ASN 332 N -3.31 3.43 -4.31 4.97 3.02 -0.94 -4.98 115.26 113.15 1k9x n ASN 332 Ca -0.02 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.33 1k9x n ASN 332 Cb 0.15 -0.34 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 1k9x n ASN 332 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1k9x s TYR 333 N -1.07 1.78 0.35 3.10 1.51 -0.68 -5.12 117.35 117.22 1k9x s TYR 333 Ca 0.37 -0.45 0.08 0.00 -1.01 0.00 0.00 57.07 56.06 1k9x s TYR 333 Cb 0.20 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 41.07 1k9x s TYR 333 CO 0.26 0.27 0.13 0.95 -1.11 0.00 0.00 175.55 176.04 1k9x s THR 334 N -1.67 2.82 0.66 -0.71 -4.23 -1.26 -4.97 115.64 106.28 1k9x s THR 334 Ca 0.11 -1.75 0.40 0.00 -1.18 0.00 0.00 61.69 59.28 1k9x s THR 334 Cb -0.08 -2.94 0.42 0.00 1.34 0.00 0.00 72.50 71.24 1k9x s THR 334 CO 0.05 -0.16 2.29 1.55 -0.54 0.00 0.00 174.62 177.82 1k9x h PRO 335 N 1.57 0.00 -0.04 3.99 0.13 -1.98 -0.65 132.00 135.03 1k9x h PRO 335 Ca -0.43 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 1k9x h PRO 335 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1k9x h PRO 335 CO 0.65 0.00 -0.26 0.93 -0.23 0.00 0.00 178.00 179.09 1k9x h GLU 336 N 0.00 0.24 -0.71 0.86 4.39 -1.98 -2.16 114.58 115.22 1k9x h GLU 336 Ca 0.00 -0.21 0.08 0.00 0.34 0.00 0.00 59.36 59.58 1k9x h GLU 336 Cb 0.11 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.74 1k9x h GLU 336 CO -0.00 0.88 0.37 -0.44 -1.16 0.00 0.00 179.01 178.66 1k9x h ASP 337 N -0.33 0.51 -0.69 1.42 3.45 -1.52 0.15 116.42 119.40 1k9x h ASP 337 Ca -0.02 0.05 -0.08 0.00 0.43 0.00 0.00 57.03 57.41 1k9x h ASP 337 Cb 0.95 -0.04 -0.03 0.00 -0.56 0.00 0.00 39.33 39.65 1k9x h ASP 337 CO 0.05 0.30 0.13 0.58 -1.57 0.00 0.00 179.24 178.74 1k9x h VAL 338 N 0.64 1.26 0.14 -1.35 2.07 -1.45 -0.17 116.25 117.40 1k9x h VAL 338 Ca 0.34 -1.02 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1k9x h VAL 338 Cb 0.31 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 1k9x h VAL 338 CO -0.24 0.39 -0.07 0.22 0.02 0.00 0.00 177.57 177.89 1k9x h TYR 339 N 1.06 -0.18 -0.62 1.57 3.20 -0.45 0.37 116.97 121.91 1k9x h TYR 339 Ca 0.21 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.10 1k9x h TYR 339 Cb 0.42 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1k9x h TYR 339 CO 0.03 -0.10 0.40 -0.07 -1.64 0.00 0.00 178.16 176.78 1k9x h LEU 340 N -0.20 0.67 -0.60 2.82 3.38 -0.92 -1.50 115.31 118.95 1k9x h LEU 340 Ca -0.02 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1k9x h LEU 340 Cb 0.16 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1k9x h LEU 340 CO 0.03 0.48 0.35 0.22 0.09 0.00 0.00 178.44 179.61 1k9x h TYR 341 N 0.80 0.64 0.00 1.13 3.20 -0.60 -0.90 116.97 121.24 1k9x h TYR 341 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1k9x h TYR 341 Cb -0.04 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.03 1k9x h TYR 341 CO -0.04 0.34 0.00 0.74 -1.64 0.00 0.00 178.16 177.56 1k9x h PHE 342 N 0.67 0.00 0.00 -3.82 -1.00 0.48 -3.22 116.94 110.05 1k9x h PHE 342 Ca 0.26 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.02 1k9x h PHE 342 Cb 0.10 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.63 1k9x h PHE 342 CO -0.07 0.00 -0.54 0.09 -1.61 0.00 0.00 178.31 176.17 1k9x n ASN 343 N -2.34 1.65 -4.58 2.17 3.02 -0.38 -4.91 115.26 109.90 1k9x n ASN 343 Ca 0.02 -3.74 -0.40 0.00 -0.03 0.00 0.00 54.58 50.42 1k9x n ASN 343 Cb 0.22 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 38.90 1k9x n ASN 343 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1k9x n ILE 344 N -0.98 2.65 -3.50 2.41 5.41 -0.98 -4.79 119.36 119.58 1k9x n ILE 344 Ca 0.18 -0.50 -0.24 0.00 1.00 0.00 0.00 62.75 63.19 1k9x n ILE 344 Cb 0.73 -1.03 -0.13 0.00 -0.71 0.00 0.00 39.64 38.49 1k9x n ILE 344 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1k9x s VAL 345 N -1.41 -0.20 -0.06 1.39 1.01 -0.80 -4.74 120.40 115.60 1k9x s VAL 345 Ca 0.67 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 1k9x s VAL 345 Cb -0.51 -0.91 0.04 0.00 0.00 0.00 0.00 36.38 35.00 1k9x s VAL 345 CO 0.54 -0.55 0.11 0.00 0.00 0.00 0.00 175.10 175.20 1k9x s ARG 346 N 2.21 -0.00 0.04 2.72 3.03 -1.26 -4.34 118.95 121.34 1k9x s ARG 346 Ca 0.08 0.41 -0.30 0.00 2.03 0.00 0.00 55.73 57.95 1k9x s ARG 346 Cb -0.15 -0.32 -0.09 0.00 -1.03 0.00 0.00 34.95 33.36 1k9x s ARG 346 CO -0.30 -0.26 1.84 -1.25 -1.13 0.00 0.00 175.30 174.20 1k9x s PRO 347 N 1.84 4.15 0.30 3.89 0.04 -1.26 -4.73 135.00 139.23 1k9x s PRO 347 Ca -0.01 2.50 0.02 0.00 0.04 0.00 0.00 61.00 63.56 1k9x s PRO 347 Cb -0.12 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.43 1k9x s PRO 347 CO -0.04 -0.89 0.13 0.34 0.04 0.00 0.00 177.00 176.58 1k9x s ASP 348 N 3.63 1.55 0.10 6.66 3.68 -1.26 -5.04 116.67 125.99 1k9x s ASP 348 Ca 0.82 -1.49 -0.09 0.00 2.13 0.00 0.00 52.55 53.92 1k9x s ASP 348 Cb -0.41 0.28 -0.16 0.00 -1.45 0.00 0.00 42.92 41.18 1k9x s ASP 348 CO 0.37 -0.81 1.25 -0.26 0.13 0.00 0.00 175.17 175.85 1k9x h PHE 349 N 2.24 0.86 -3.65 -5.34 0.05 -1.93 -3.45 116.94 105.71 1k9x h PHE 349 Ca -0.36 -0.46 -0.62 0.00 3.82 0.00 0.00 57.97 60.35 1k9x h PHE 349 Cb 1.25 -0.10 -0.14 0.00 2.00 0.00 0.00 35.95 38.96 1k9x h PHE 349 CO 0.82 1.28 -0.28 0.42 -0.18 0.00 0.00 178.31 180.37 1k9x s ILE 350 N -3.34 5.21 0.11 -0.55 1.09 -1.26 -4.84 121.20 117.62 1k9x s ILE 350 Ca -0.08 0.53 -0.30 0.00 -1.10 0.00 0.00 60.65 59.70 1k9x s ILE 350 Cb 0.08 -3.67 -0.10 0.00 -1.06 0.00 0.00 42.46 37.70 1k9x s ILE 350 CO 0.90 0.21 1.49 -0.09 -0.10 0.00 0.00 174.94 177.35 1k9x h ARG 351 N 7.89 -0.39 0.00 2.79 2.43 -1.96 -1.56 114.38 123.58 1k9x h ARG 351 Ca -0.34 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1k9x h ARG 351 Cb 1.16 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1k9x h ARG 351 CO 0.66 -0.26 0.00 0.25 -1.51 0.00 0.00 179.97 179.11 1k9x n THR 352 N -5.12 0.00 0.23 0.20 -2.24 -1.26 -0.71 114.28 105.38 1k9x n THR 352 Ca -0.04 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.77 1k9x n THR 352 Cb 0.32 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 1k9x n THR 352 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1k9x n GLU 353 N -0.94 4.82 -1.87 -0.78 4.07 -0.61 -5.05 120.64 120.28 1k9x n GLU 353 Ca 0.00 -0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.69 1k9x n GLU 353 Cb 0.00 -0.78 -0.00 0.00 -0.06 0.00 0.00 31.44 30.60 1k9x n GLU 353 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1k9x s ALA 354 N -1.58 3.49 0.99 4.31 0.00 0.11 -5.03 121.76 124.07 1k9x s ALA 354 Ca 0.02 1.49 -0.13 0.00 0.00 0.00 0.00 51.96 53.33 1k9x s ALA 354 Cb 0.04 -3.58 0.18 0.00 0.00 0.00 0.00 23.12 19.76 1k9x s ALA 354 CO 0.22 -1.00 1.12 0.16 0.00 0.00 0.00 175.76 176.26 1k9x s ASP 355 N -0.29 2.75 0.55 0.00 -4.77 -1.26 -4.75 116.67 108.90 1k9x s ASP 355 Ca 0.54 0.97 0.30 0.00 -3.30 0.00 0.00 52.55 51.05 1k9x s ASP 355 Cb -0.45 -1.51 1.59 0.00 -1.09 0.00 0.00 42.92 41.47 1k9x s ASP 355 CO 0.60 -3.03 2.12 -0.37 0.70 0.00 0.00 175.17 175.19 1k9x h VAL 356 N -1.82 0.47 0.03 2.11 -1.51 -1.96 -1.01 116.25 112.56 1k9x h VAL 356 Ca -0.51 -0.40 -0.08 0.00 -1.23 0.00 0.00 66.70 64.48 1k9x h VAL 356 Cb 1.32 1.27 -0.00 0.00 -2.13 0.00 0.00 31.29 31.75 1k9x h VAL 356 CO 0.56 0.08 -0.37 0.58 -1.23 0.00 0.00 177.57 177.18 1k9x h VAL 357 N 0.00 1.60 0.00 7.19 2.07 -1.92 -3.35 116.25 121.84 1k9x h VAL 357 Ca -0.00 -2.37 -0.03 0.00 0.82 0.00 0.00 66.70 65.13 1k9x h VAL 357 Cb 0.26 3.19 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1k9x h VAL 357 CO 0.01 0.60 -0.12 0.71 0.02 0.00 0.00 177.57 178.78 1k9x h THR 358 N -0.85 0.23 -0.34 2.57 1.35 -1.93 -3.39 112.91 110.55 1k9x h THR 358 Ca -0.08 -1.17 0.03 0.00 -0.55 0.00 0.00 66.41 64.64 1k9x h THR 358 Cb 1.19 1.97 -0.05 0.00 -1.73 0.00 0.00 68.15 69.53 1k9x h THR 358 CO 0.00 0.12 -0.29 0.22 -0.25 0.00 0.00 175.52 175.32 1k9x h TYR 359 N 0.00 -0.91 0.00 4.73 3.20 -1.32 -2.14 116.97 120.53 1k9x h TYR 359 Ca -0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1k9x h TYR 359 Cb 0.96 0.44 0.00 0.00 1.54 0.00 0.00 36.73 39.67 1k9x h TYR 359 CO 0.00 -0.22 0.37 -0.91 -1.64 0.00 0.00 178.16 175.76 1k9x h ASN 360 N -0.11 0.00 0.82 -2.11 2.35 -1.79 0.24 115.58 114.98 1k9x h ASN 360 Ca 0.06 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 1k9x h ASN 360 Cb 0.26 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1k9x h ASN 360 CO -0.38 0.00 -0.88 -0.26 -1.65 0.00 0.00 177.43 174.26 1k9x h PHE 361 N 0.00 0.05 -0.02 1.19 0.05 -1.66 0.17 116.94 116.73 1k9x h PHE 361 Ca 0.00 -0.03 -0.07 0.00 3.82 0.00 0.00 57.97 61.69 1k9x h PHE 361 Cb 0.75 -0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.68 1k9x h PHE 361 CO 0.00 0.89 -0.32 0.45 -0.18 0.00 0.00 178.31 179.16 1k9x h HIS 362 N 0.02 0.04 0.10 -0.55 3.86 -0.58 -2.07 115.15 115.97 1k9x h HIS 362 Ca -0.02 -0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.90 1k9x h HIS 362 Cb 1.54 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 1k9x h HIS 362 CO 0.01 0.35 -1.39 0.82 0.86 0.00 0.00 177.93 178.58 1k9x h ILE 363 N 0.04 1.31 0.09 2.45 1.08 -1.44 -3.22 117.51 117.81 1k9x h ILE 363 Ca 0.00 -2.95 0.00 0.00 -0.39 0.00 0.00 64.86 61.53 1k9x h ILE 363 Cb 0.58 2.81 -0.01 0.00 -3.07 0.00 0.00 36.82 37.13 1k9x h ILE 363 CO 0.04 0.84 -0.09 0.25 -0.69 0.00 0.00 178.15 178.50 1k9x h LEU 364 N 0.06 -0.24 -0.63 1.44 5.85 -0.21 0.61 115.31 122.19 1k9x h LEU 364 Ca -0.18 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 1k9x h LEU 364 Cb 1.97 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 43.06 1k9x h LEU 364 CO 0.17 -0.14 0.30 0.17 -0.34 0.00 0.00 178.44 178.59 1k9x h LEU 365 N -0.20 0.84 -1.09 2.25 8.10 -1.51 0.11 115.31 123.80 1k9x h LEU 365 Ca 0.01 -0.14 0.01 0.00 0.11 0.00 0.00 57.88 57.87 1k9x h LEU 365 Cb 0.19 -0.22 -0.05 0.00 -0.44 0.00 0.00 40.66 40.15 1k9x h LEU 365 CO -0.03 0.74 0.62 0.03 -4.11 0.00 0.00 178.44 175.69 1k9x h ARG 366 N 0.88 1.23 -0.10 0.17 3.08 -1.53 0.58 114.38 118.69 1k9x h ARG 366 Ca 0.22 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 1k9x h ARG 366 Cb 0.13 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1k9x h ARG 366 CO -0.03 0.81 0.05 0.35 -1.07 0.00 0.00 179.97 180.08 1k9x h PHE 367 N 1.26 0.14 -0.23 3.04 3.57 0.07 0.33 116.94 125.13 1k9x h PHE 367 Ca 0.34 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.86 1k9x h PHE 367 Cb -0.15 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 1k9x h PHE 367 CO -0.00 0.19 0.06 -0.22 -2.23 0.00 0.00 178.31 176.12 1k9x h LYS 368 N 0.04 0.15 -0.42 1.11 1.63 0.06 -0.86 116.57 118.29 1k9x h LYS 368 Ca 0.03 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.69 1k9x h LYS 368 Cb 0.11 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1k9x h LYS 368 CO -0.00 0.10 -0.28 -0.07 -3.45 0.00 0.00 179.45 175.75 1k9x h LEU 369 N 0.16 0.97 -1.40 5.20 3.38 -0.87 -2.93 115.31 119.82 1k9x h LEU 369 Ca 0.10 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1k9x h LEU 369 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1k9x h LEU 369 CO -0.12 1.19 0.39 -0.33 0.09 0.00 0.00 178.44 179.66 1k9x h GLU 370 N 0.75 0.79 -0.26 1.13 5.08 -0.62 0.14 114.58 121.60 1k9x h GLU 370 Ca 0.08 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.22 1k9x h GLU 370 Cb 0.86 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1k9x h GLU 370 CO 0.08 0.53 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.99 1k9x h ARG 371 N 0.81 0.76 -0.37 2.33 2.43 -1.10 -2.57 114.38 116.67 1k9x h ARG 371 Ca 0.22 -0.47 -0.07 0.00 -0.81 0.00 0.00 59.98 58.84 1k9x h ARG 371 Cb -0.08 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1k9x h ARG 371 CO -0.05 1.10 -0.06 -0.07 -1.51 0.00 0.00 179.97 179.38 1k9x h LEU 372 N 0.58 0.70 -0.64 3.80 -0.00 -1.23 -0.46 115.31 118.07 1k9x h LEU 372 Ca 0.02 -0.34 0.06 0.00 -0.00 0.00 0.00 57.88 57.61 1k9x h LEU 372 Cb 1.12 -0.19 -0.06 0.00 -0.00 0.00 0.00 40.66 41.53 1k9x h LEU 372 CO 0.11 0.88 0.34 0.24 -0.00 0.00 0.00 178.44 180.01 1k9x h MET 373 N 0.51 0.60 0.06 1.13 2.86 -0.91 0.82 114.93 120.00 1k9x h MET 373 Ca 0.10 -0.04 -0.31 0.00 -2.06 0.00 0.00 59.70 57.39 1k9x h MET 373 Cb 0.56 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.05 1k9x h MET 373 CO 0.03 0.40 -1.70 0.28 1.06 0.00 0.00 176.91 176.97 1k9x n VAL 374 N -4.83 1.65 0.10 -2.22 0.31 -0.98 -4.45 118.33 107.92 1k9x n VAL 374 Ca 0.08 -0.36 0.01 0.00 -0.01 0.00 0.00 64.34 64.07 1k9x n VAL 374 Cb 0.19 -1.87 -0.02 0.00 -0.91 0.00 0.00 33.84 31.23 1k9x n VAL 374 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1k9x h SER 375 N -0.47 0.00 -1.47 4.52 0.02 -1.17 -3.44 113.55 111.54 1k9x h SER 375 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1k9x h SER 375 Cb 1.68 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1k9x h SER 375 CO -0.08 0.55 0.00 -0.62 -1.14 0.00 0.00 176.83 175.55 1k9x n GLU 376 N -3.13 3.53 -3.86 3.45 -0.58 0.28 -4.89 120.64 115.44 1k9x n GLU 376 Ca -0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.44 1k9x n GLU 376 Cb 0.78 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.52 1k9x n GLU 376 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1k9x s GLU 377 N 1.12 2.07 0.11 3.49 0.41 -1.24 -4.69 118.70 119.97 1k9x s GLU 377 Ca 0.00 -2.88 0.06 0.00 -0.41 0.00 0.00 54.97 51.74 1k9x s GLU 377 Cb 0.00 -3.13 -0.04 0.00 -1.78 0.00 0.00 34.13 29.18 1k9x s GLU 377 CO 0.00 -1.22 -0.00 0.42 -0.49 0.00 0.00 175.26 173.97 1k9x s ILE 378 N -0.77 3.93 -0.01 -1.63 -1.09 -1.26 -5.06 121.20 115.31 1k9x s ILE 378 Ca 0.22 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.52 1k9x s ILE 378 Cb -0.13 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.81 1k9x s ILE 378 CO -0.09 0.06 0.07 -0.54 -1.23 0.00 0.00 174.94 173.21 1k9x s LYS 379 N -2.48 3.06 0.27 2.79 -0.14 -1.26 -4.95 119.74 117.03 1k9x s LYS 379 Ca 0.26 -0.48 -0.00 0.00 -1.36 0.00 0.00 55.97 54.39 1k9x s LYS 379 Cb -0.11 -2.85 0.52 0.00 -1.68 0.00 0.00 37.83 33.71 1k9x s LYS 379 CO 0.18 0.65 1.80 0.00 -0.76 0.00 0.00 175.35 177.23 1k9x h ALA 380 N 4.20 1.38 -0.48 5.17 0.00 -1.93 -1.78 119.26 125.82 1k9x h ALA 380 Ca -0.49 0.05 0.14 0.00 0.00 0.00 0.00 54.91 54.60 1k9x h ALA 380 Cb 1.18 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1k9x h ALA 380 CO 0.61 0.09 0.36 1.57 0.00 0.00 0.00 179.25 181.88 1k9x h LYS 381 N 0.83 0.00 -0.00 0.00 2.10 -1.95 -0.83 116.57 116.71 1k9x h LYS 381 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 1k9x h LYS 381 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 1k9x h LYS 381 CO -0.30 0.00 -0.38 -0.25 -2.00 0.00 0.00 179.45 176.52 1k9x n ASP 382 N -4.31 0.88 -0.18 7.07 8.00 -0.67 -4.29 116.55 123.04 1k9x n ASP 382 Ca 0.09 -0.69 -0.10 0.00 0.71 0.00 0.00 54.79 54.80 1k9x n ASP 382 Cb 0.57 0.23 0.01 0.00 -0.02 0.00 0.00 41.12 41.91 1k9x n ASP 382 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k9x h LEU 383 N 0.78 0.90 -1.11 0.64 3.38 -1.15 -2.71 115.31 116.04 1k9x h LEU 383 Ca 0.00 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1k9x h LEU 383 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1k9x h LEU 383 CO 0.00 0.98 0.27 1.55 0.09 0.00 0.00 178.44 181.33 1k9x h PRO 384 N 0.80 0.90 -0.33 1.13 0.13 -1.75 0.46 132.00 133.34 1k9x h PRO 384 Ca 0.15 -0.13 -0.14 0.00 -0.87 0.00 0.00 66.00 65.01 1k9x h PRO 384 Cb 0.51 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1k9x h PRO 384 CO 0.02 0.72 -0.36 1.49 -0.23 0.00 0.00 178.00 179.64 1k9x h GLU 385 N 0.89 0.75 -0.62 0.86 4.57 -1.82 -0.01 114.58 119.19 1k9x h GLU 385 Ca 0.22 -0.37 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1k9x h GLU 385 Cb 0.14 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.70 1k9x h GLU 385 CO -0.02 0.99 0.25 0.52 -1.18 0.00 0.00 179.01 179.56 1k9x h MET 386 N 0.62 0.92 -0.11 1.92 2.86 -1.08 0.01 114.93 120.07 1k9x h MET 386 Ca 0.06 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1k9x h MET 386 Cb 0.90 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1k9x h MET 386 CO 0.08 0.78 0.07 2.35 1.06 0.00 0.00 176.91 181.25 1k9x h TRP 387 N 0.86 0.13 0.00 -0.22 2.91 0.27 -1.88 115.95 118.02 1k9x h TRP 387 Ca 0.21 0.00 -0.06 0.00 1.13 0.00 0.00 58.89 60.17 1k9x h TRP 387 Cb 0.20 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.79 1k9x h TRP 387 CO 0.01 0.08 -0.28 -0.91 -1.03 0.00 0.00 178.44 176.32 1k9x h ASN 388 N 0.15 0.00 -0.16 2.65 2.35 -0.80 -2.63 115.58 117.14 1k9x h ASN 388 Ca 0.04 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1k9x h ASN 388 Cb -0.02 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1k9x h ASN 388 CO -0.01 0.28 -0.05 0.44 -1.65 0.00 0.00 177.43 176.43 1k9x h ASP 389 N 0.00 0.33 -0.57 5.81 3.32 -0.36 -2.73 116.42 122.22 1k9x h ASP 389 Ca -0.00 -0.38 -0.00 0.00 0.02 0.00 0.00 57.03 56.66 1k9x h ASP 389 Cb 0.66 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1k9x h ASP 389 CO 0.04 0.64 0.35 -0.33 -1.72 0.00 0.00 179.24 178.22 1k9x h GLU 390 N 0.02 0.77 -0.46 3.56 4.39 -1.19 0.38 114.58 122.06 1k9x h GLU 390 Ca 0.04 -0.06 0.08 0.00 0.34 0.00 0.00 59.36 59.75 1k9x h GLU 390 Cb 0.50 -0.16 -0.07 0.00 -0.10 0.00 0.00 28.75 28.92 1k9x h GLU 390 CO 0.02 0.54 0.08 0.52 -1.16 0.00 0.00 179.01 179.01 1k9x h MET 391 N 0.77 0.20 -0.37 2.33 2.86 -1.46 0.15 114.93 119.41 1k9x h MET 391 Ca 0.21 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1k9x h MET 391 Cb -0.03 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1k9x h MET 391 CO -0.04 0.13 -0.16 1.49 1.06 0.00 0.00 176.91 179.40 1k9x h GLU 392 N 0.21 0.76 -0.40 1.72 4.81 -0.84 0.64 114.58 121.47 1k9x h GLU 392 Ca 0.23 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1k9x h GLU 392 Cb 0.30 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1k9x h GLU 392 CO -0.31 0.93 0.24 -0.09 -0.73 0.00 0.00 179.01 179.06 1k9x h ARG 393 N 0.55 0.47 0.12 1.92 2.43 -0.36 0.05 114.38 119.56 1k9x h ARG 393 Ca 0.09 -0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.87 1k9x h ARG 393 Cb 0.70 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.12 1k9x h ARG 393 CO 0.05 0.31 -1.95 1.28 -1.51 0.00 0.00 179.97 178.15 1k9x n LEU 394 N -4.85 2.60 -0.50 3.80 4.77 0.48 -4.52 117.00 118.78 1k9x n LEU 394 Ca 0.01 0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 1k9x n LEU 394 Cb 0.06 -1.12 0.06 0.00 -2.33 0.00 0.00 43.42 40.09 1k9x n LEU 394 CO 0.33 0.82 0.46 0.18 -1.33 0.00 0.00 177.39 177.85 1k9x n LEU 395 N -3.54 2.11 -1.09 2.23 4.77 0.22 -4.99 117.00 116.71 1k9x n LEU 395 Ca -0.32 -1.14 -0.14 0.00 -0.03 0.00 0.00 56.01 54.38 1k9x n LEU 395 Cb 1.03 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 42.02 1k9x n LEU 395 CO 0.42 0.42 -0.14 0.61 -1.33 0.00 0.00 177.39 177.38 1k9x n GLY 396 N 0.64 1.48 3.02 -0.72 0.00 0.00 -4.89 105.19 104.73 1k9x n GLY 396 Ca 0.08 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1k9x n GLY 396 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1k9x s ILE 397 N -2.52 0.27 -0.11 -0.61 -4.36 -1.21 -4.89 121.20 107.76 1k9x s ILE 397 Ca 0.00 -1.08 0.03 0.00 -0.26 0.00 0.00 60.65 59.34 1k9x s ILE 397 Cb 0.00 -0.53 0.01 0.00 1.25 0.00 0.00 42.46 43.19 1k9x s ILE 397 CO 0.00 -0.52 -0.21 -0.13 0.24 0.00 0.00 174.94 174.31 1k9x s ARG 398 N -1.81 2.83 0.61 0.37 0.52 -1.26 -1.39 118.95 118.81 1k9x s ARG 398 Ca -0.11 -0.79 -0.19 0.00 -0.52 0.00 0.00 55.73 54.12 1k9x s ARG 398 Cb -0.08 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.13 1k9x s ARG 398 CO -0.02 0.07 1.11 -2.30 0.02 0.00 0.00 175.30 174.18 1k9x n PRO 399 N 3.82 1.05 0.00 3.54 -0.02 -1.26 -4.92 135.00 137.20 1k9x n PRO 399 Ca -0.20 0.40 0.07 0.00 -2.02 0.00 0.00 63.50 61.76 1k9x n PRO 399 Cb 0.52 -2.32 -0.05 0.00 -0.02 0.00 0.00 33.50 31.63 1k9x n PRO 399 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k9x n ARG 400 N -1.28 2.01 -3.92 -0.52 1.74 -1.26 -4.98 116.66 108.45 1k9x n ARG 400 Ca 0.14 -0.29 -0.10 0.00 -0.77 0.00 0.00 57.85 56.84 1k9x n ARG 400 Cb 0.47 -1.21 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 1k9x n ARG 400 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1k9x s LYS 401 N -2.18 0.58 0.55 5.56 1.02 -1.26 -5.01 119.74 119.00 1k9x s LYS 401 Ca 0.08 -0.72 0.24 0.00 0.02 0.00 0.00 55.97 55.59 1k9x s LYS 401 Cb 0.12 0.23 1.47 0.00 -0.52 0.00 0.00 37.83 39.13 1k9x s LYS 401 CO 0.52 -0.14 2.10 1.88 -0.92 0.00 0.00 175.35 178.79 1k9x h TYR 402 N 3.73 0.00 0.39 3.18 0.99 -1.94 -2.03 116.97 121.29 1k9x h TYR 402 Ca -0.32 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.40 1k9x h TYR 402 Cb 1.19 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.91 1k9x h TYR 402 CO 0.55 0.00 -0.27 0.77 -0.00 0.00 0.00 178.16 179.21 1k9x h SER 403 N 0.00 -0.68 0.21 3.88 0.02 -1.91 -1.10 113.55 113.96 1k9x h SER 403 Ca 0.10 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1k9x h SER 403 Cb 0.44 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1k9x h SER 403 CO -0.00 -0.41 0.00 -0.62 -1.14 0.00 0.00 176.83 174.66 1k9x n GLU 404 N -5.40 0.31 0.00 3.45 1.02 -0.79 -3.33 120.64 115.90 1k9x n GLU 404 Ca -0.10 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1k9x n GLU 404 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1k9x n GLU 404 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k9x n GLY 405 N 0.04 2.00 0.31 0.62 0.00 -0.79 -4.67 105.19 102.70 1k9x n GLY 405 Ca 0.09 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.23 1k9x n GLY 405 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1k9x h ILE 406 N 0.00 0.00 -0.29 -0.61 2.10 -1.85 -1.23 117.51 115.63 1k9x h ILE 406 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k9x h ILE 406 Cb 0.00 0.66 0.00 0.00 -1.09 0.00 0.00 36.82 36.39 1k9x h ILE 406 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1k9x n LEU 407 N -2.78 2.97 -0.14 2.19 4.32 -0.49 -4.62 117.00 118.45 1k9x n LEU 407 Ca -0.02 -1.24 -0.07 0.00 -0.02 0.00 0.00 56.01 54.66 1k9x n LEU 407 Cb 0.31 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 41.87 1k9x n LEU 407 CO 0.13 0.62 0.49 1.56 -1.22 0.00 0.00 177.39 178.98 1k9x h GLN 408 N 3.95 -0.12 -6.72 3.23 4.20 -1.22 -3.43 115.11 115.00 1k9x h GLN 408 Ca 0.00 0.01 -0.67 0.00 0.06 0.00 0.00 58.65 58.05 1k9x h GLN 408 Cb 0.87 0.03 -0.19 0.00 0.30 0.00 0.00 27.48 28.48 1k9x h GLN 408 CO 0.00 -0.08 -0.81 0.16 -0.67 0.00 0.00 178.83 177.43 1k9x s ASP 409 N -4.14 3.73 0.00 1.46 1.47 -1.26 -5.02 116.67 112.91 1k9x s ASP 409 Ca -0.07 -0.65 0.15 0.00 1.18 0.00 0.00 52.55 53.16 1k9x s ASP 409 Cb 0.05 -0.44 0.72 0.00 -0.34 0.00 0.00 42.92 42.91 1k9x s ASP 409 CO 0.33 0.16 1.46 0.00 0.68 0.00 0.00 175.17 177.81 1k9x n ILE 410 N 0.67 0.75 -0.32 2.11 3.06 -1.26 -4.29 119.36 120.07 1k9x n ILE 410 Ca -0.15 0.19 -0.03 0.00 -2.50 0.00 0.00 62.75 60.26 1k9x n ILE 410 Cb 0.53 -0.93 0.02 0.00 0.54 0.00 0.00 39.64 39.81 1k9x n ILE 410 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 1k9x h HIS 411 N 0.00 -1.07 -0.29 9.51 3.86 -1.95 0.58 115.15 125.78 1k9x h HIS 411 Ca 0.00 0.09 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1k9x h HIS 411 Cb 0.20 0.59 -0.02 0.00 1.06 0.00 0.00 27.41 29.25 1k9x h HIS 411 CO 0.00 -0.40 -0.06 -1.49 0.86 0.00 0.00 177.93 176.85 1k9x h TRP 412 N -0.06 0.48 -0.49 2.45 6.55 -1.79 -0.34 115.95 122.74 1k9x h TRP 412 Ca 0.30 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 60.00 1k9x h TRP 412 Cb 0.58 -0.14 -0.02 0.00 -0.86 0.00 0.00 29.16 28.72 1k9x h TRP 412 CO -0.80 0.52 -0.02 0.00 -1.05 0.00 0.00 178.44 177.09 1k9x h ALA 413 N 1.51 1.03 0.00 1.49 0.00 -1.21 -1.36 119.26 120.71 1k9x h ALA 413 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1k9x h ALA 413 Cb 0.38 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1k9x h ALA 413 CO 0.02 0.60 0.00 0.45 0.00 0.00 0.00 179.25 180.32 1k9x h HIS 414 N 0.78 0.00 0.00 0.00 3.86 -0.83 -3.37 115.15 115.58 1k9x h HIS 414 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1k9x h HIS 414 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1k9x h HIS 414 CO 0.03 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.23 1k9x n GLY 415 N 0.31 0.78 3.27 2.45 0.00 -0.51 -4.89 105.19 106.59 1k9x n GLY 415 Ca 0.03 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1k9x n GLY 415 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k9x n SER 416 N 0.34 4.68 -4.56 1.61 7.64 -0.19 -4.95 113.62 118.20 1k9x n SER 416 Ca 0.00 -2.92 -0.35 0.00 1.01 0.00 0.00 58.87 56.61 1k9x n SER 416 Cb 0.00 -1.68 -0.11 0.00 -1.01 0.00 0.00 64.21 61.41 1k9x n SER 416 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1k9x s ILE 417 N 3.28 4.58 0.00 0.44 -1.09 -1.26 -4.30 121.20 122.85 1k9x s ILE 417 Ca 0.49 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.82 1k9x s ILE 417 Cb 0.06 -3.09 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1k9x s ILE 417 CO 0.02 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.74 1k9x n GLY 418 N 4.09 0.85 0.13 6.18 0.00 -1.26 -4.69 105.19 110.49 1k9x n GLY 418 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 1k9x n GLY 418 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k9x n TYR 419 N -1.64 0.54 -0.31 1.61 9.36 -1.26 -4.30 117.16 121.16 1k9x n TYR 419 Ca 0.00 0.15 0.03 0.00 3.32 0.00 0.00 57.90 61.39 1k9x n TYR 419 Cb 0.00 -1.07 0.10 0.00 -0.63 0.00 0.00 39.34 37.74 1k9x n TYR 419 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 1k9x h PHE 420 N -0.33 -0.55 -0.02 2.98 0.05 -1.94 -1.44 116.94 115.69 1k9x h PHE 420 Ca -0.52 0.08 0.01 0.00 3.82 0.00 0.00 57.97 61.35 1k9x h PHE 420 Cb 1.79 0.38 -0.00 0.00 2.00 0.00 0.00 35.95 40.12 1k9x h PHE 420 CO 0.03 -0.38 0.22 -1.00 -0.18 0.00 0.00 178.31 177.00 1k9x h PRO 421 N -0.01 0.00 -0.36 1.51 0.13 -1.88 -0.87 132.00 130.53 1k9x h PRO 421 Ca 0.40 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 65.59 1k9x h PRO 421 Cb 0.63 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 1k9x h PRO 421 CO -0.89 0.00 0.24 1.79 -0.23 0.00 0.00 178.00 178.91 1k9x h THR 422 N 0.00 0.92 -0.93 1.56 1.35 -1.57 -0.71 112.91 113.54 1k9x h THR 422 Ca 0.01 -0.07 -0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1k9x h THR 422 Cb 0.44 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 1k9x h THR 422 CO -0.00 0.04 0.56 1.88 -0.25 0.00 0.00 175.52 177.75 1k9x h TYR 423 N 0.20 1.21 -0.02 4.73 -1.99 -1.34 -2.30 116.97 117.47 1k9x h TYR 423 Ca 0.16 0.00 -0.20 0.00 2.00 0.00 0.00 58.73 60.69 1k9x h TYR 423 Cb 0.38 -0.40 -0.01 0.00 2.00 0.00 0.00 36.73 38.71 1k9x h TYR 423 CO -0.00 0.80 -0.84 1.15 -0.00 0.00 0.00 178.16 179.27 1k9x h THR 424 N 1.27 1.44 -0.69 -2.88 2.02 -1.32 -2.69 112.91 110.06 1k9x h THR 424 Ca 0.33 -2.42 0.08 0.00 0.77 0.00 0.00 66.41 65.17 1k9x h THR 424 Cb -0.06 2.34 -0.06 0.00 -1.74 0.00 0.00 68.15 68.62 1k9x h THR 424 CO -0.06 0.71 0.37 0.40 0.37 0.00 0.00 175.52 177.31 1k9x h ILE 425 N 0.18 0.91 -0.37 3.11 2.04 -0.95 0.13 117.51 122.56 1k9x h ILE 425 Ca -0.05 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1k9x h ILE 425 Cb 1.45 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1k9x h ILE 425 CO 0.14 0.12 0.10 1.23 0.00 0.00 0.00 178.15 179.73 1k9x h GLY 426 N 0.65 0.64 0.96 5.37 0.00 -1.32 -0.45 103.07 108.91 1k9x h GLY 426 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.26 1k9x h GLY 426 CO -0.23 0.37 0.15 0.00 0.00 0.00 0.00 176.54 176.84 1k9x h THR 427 N 0.46 1.12 -0.17 4.70 1.03 -1.03 -1.26 112.91 117.76 1k9x h THR 427 Ca 0.12 -0.30 -0.02 0.00 -0.01 0.00 0.00 66.41 66.20 1k9x h THR 427 Cb 0.29 0.82 -0.01 0.00 -1.07 0.00 0.00 68.15 68.18 1k9x h THR 427 CO -0.00 0.12 0.03 -0.07 -0.01 0.00 0.00 175.52 175.59 1k9x h LEU 428 N 0.33 0.26 -1.51 0.00 3.38 -0.71 -3.07 115.31 113.99 1k9x h LEU 428 Ca 0.10 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1k9x h LEU 428 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1k9x h LEU 428 CO -0.02 0.44 -0.13 0.25 0.09 0.00 0.00 178.44 179.07 1k9x h LEU 429 N 0.07 0.14 -1.07 1.67 5.85 -1.00 -2.46 115.31 118.51 1k9x h LEU 429 Ca 0.05 -0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1k9x h LEU 429 Cb 0.29 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1k9x h LEU 429 CO 0.00 0.30 0.63 0.77 -0.34 0.00 0.00 178.44 179.80 1k9x h SER 430 N 0.15 1.07 -0.09 1.25 4.64 -1.13 0.17 113.55 119.61 1k9x h SER 430 Ca 0.03 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.09 1k9x h SER 430 Cb 0.33 -0.26 0.01 0.00 -0.31 0.00 0.00 62.40 62.18 1k9x h SER 430 CO 0.02 0.76 -0.87 0.00 -0.87 0.00 0.00 176.83 175.87 1k9x h ALA 431 N 1.42 0.22 -0.90 5.18 0.00 -1.53 -2.16 119.26 121.49 1k9x h ALA 431 Ca 0.36 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1k9x h ALA 431 Cb -0.08 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1k9x h ALA 431 CO -0.09 0.66 0.55 0.37 0.00 0.00 0.00 179.25 180.73 1k9x h GLN 432 N 0.45 1.22 0.00 0.00 4.15 -0.94 -0.80 115.11 119.19 1k9x h GLN 432 Ca -0.08 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 59.13 1k9x h GLN 432 Cb 1.51 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1k9x h GLN 432 CO 0.18 0.85 -0.46 -0.07 -1.93 0.00 0.00 178.83 177.40 1k9x h LEU 433 N 1.24 0.00 -0.39 -2.39 3.38 -0.68 -2.82 115.31 113.65 1k9x h LEU 433 Ca 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.29 1k9x h LEU 433 Cb -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1k9x h LEU 433 CO -0.06 0.46 0.21 0.22 0.09 0.00 0.00 178.44 179.36 1k9x h TYR 434 N 0.00 0.53 0.00 1.13 3.20 -0.47 -0.37 116.97 120.99 1k9x h TYR 434 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 1k9x h TYR 434 Cb 0.81 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1k9x h TYR 434 CO 0.00 0.41 -0.58 1.88 -1.64 0.00 0.00 178.16 178.23 1k9x h TYR 435 N 0.50 0.00 -0.04 -3.82 -1.99 -1.39 -2.78 116.97 107.44 1k9x h TYR 435 Ca 0.14 0.00 -0.25 0.00 2.00 0.00 0.00 58.73 60.61 1k9x h TYR 435 Cb 0.05 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.80 1k9x h TYR 435 CO -0.03 0.58 -0.97 0.45 -0.00 0.00 0.00 178.16 178.19 1k9x h HIS 436 N 0.00 1.04 0.00 4.88 3.86 -1.29 -3.11 115.15 120.53 1k9x h HIS 436 Ca -0.01 -0.54 -0.04 0.00 -1.16 0.00 0.00 60.37 58.63 1k9x h HIS 436 Cb 1.23 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.57 1k9x h HIS 436 CO 0.00 1.37 -0.20 0.97 0.86 0.00 0.00 177.93 180.93 1k9x h ILE 437 N 0.43 0.68 0.00 2.45 2.10 -1.09 -2.73 117.51 119.35 1k9x h ILE 437 Ca -0.11 -0.85 0.00 0.00 1.08 0.00 0.00 64.86 64.99 1k9x h ILE 437 Cb 1.62 1.53 0.00 0.00 -1.09 0.00 0.00 36.82 38.88 1k9x h ILE 437 CO 0.19 0.19 0.00 0.11 -1.08 0.00 0.00 178.15 177.57 1k9x h LYS 438 N 0.00 0.00 0.00 2.19 1.57 -1.42 0.22 116.57 119.13 1k9x h LYS 438 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1k9x h LYS 438 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1k9x h LYS 438 CO 0.03 0.00 -0.11 0.36 -0.57 0.00 0.00 179.45 179.15 1k9x n LYS 439 N -2.63 0.24 -0.04 3.15 2.85 -1.03 -1.39 118.16 119.31 1k9x n LYS 439 Ca 0.03 0.17 -0.01 0.00 -1.05 0.00 0.00 58.31 57.45 1k9x n LYS 439 Cb 0.36 -1.75 -0.10 0.00 -0.65 0.00 0.00 35.03 32.88 1k9x n LYS 439 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1k9x n ASP 440 N -2.16 1.90 -3.23 -5.58 8.00 -1.02 -4.71 116.55 109.76 1k9x n ASP 440 Ca 0.05 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.31 1k9x n ASP 440 Cb 0.42 1.15 -0.06 0.00 -0.02 0.00 0.00 41.12 42.60 1k9x n ASP 440 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1k9x n ILE 441 N -2.26 0.57 0.24 0.53 5.41 0.75 -4.96 119.36 119.64 1k9x n ILE 441 Ca -0.13 -4.57 0.13 0.00 1.00 0.00 0.00 62.75 59.18 1k9x n ILE 441 Cb 0.68 -1.70 0.71 0.00 -0.71 0.00 0.00 39.64 38.61 1k9x n ILE 441 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1k9x h PRO 442 N 3.82 0.00 -0.82 0.38 0.13 -1.46 -1.08 132.00 132.96 1k9x h PRO 442 Ca 0.12 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.80 1k9x h PRO 442 Cb 0.80 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.67 1k9x h PRO 442 CO 0.60 0.00 0.44 -0.40 -0.23 0.00 0.00 178.00 178.41 1k9x n ASP 443 N -2.51 3.85 -0.26 1.44 5.75 -1.26 -4.76 116.55 118.80 1k9x n ASP 443 Ca -0.02 -3.69 -0.09 0.00 -0.01 0.00 0.00 54.79 50.99 1k9x n ASP 443 Cb 0.20 -0.79 -0.08 0.00 -1.03 0.00 0.00 41.12 39.43 1k9x n ASP 443 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1k9x h PHE 444 N 1.14 -1.39 -0.68 2.11 3.57 -1.55 -1.34 116.94 118.80 1k9x h PHE 444 Ca 0.52 0.09 0.12 0.00 3.53 0.00 0.00 57.97 62.22 1k9x h PHE 444 Cb 2.29 0.69 -0.09 0.00 2.79 0.00 0.00 35.95 41.63 1k9x h PHE 444 CO 1.42 -0.30 0.24 0.93 -2.23 0.00 0.00 178.31 178.37 1k9x h GLU 445 N -0.08 0.39 -0.62 1.11 4.39 -1.87 -1.39 114.58 116.51 1k9x h GLU 445 Ca 0.10 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 1k9x h GLU 445 Cb 0.35 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 1k9x h GLU 445 CO -0.63 0.26 0.24 1.49 -1.16 0.00 0.00 179.01 179.20 1k9x h GLU 446 N 0.40 0.91 -0.51 2.33 4.81 -1.69 -1.28 114.58 119.55 1k9x h GLU 446 Ca 0.36 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1k9x h GLU 446 Cb 0.51 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1k9x h GLU 446 CO -0.37 0.75 -0.15 0.87 -0.73 0.00 0.00 179.01 179.38 1k9x h LYS 447 N 0.89 0.99 -0.21 1.92 1.57 -0.22 -2.30 116.57 119.21 1k9x h LYS 447 Ca 0.21 -0.39 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1k9x h LYS 447 Cb 0.19 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1k9x h LYS 447 CO -0.02 1.06 0.07 0.28 -0.57 0.00 0.00 179.45 180.27 1k9x h VAL 448 N 0.87 0.94 -0.60 0.50 2.07 -0.88 0.20 116.25 119.35 1k9x h VAL 448 Ca 0.13 -0.06 0.15 0.00 0.82 0.00 0.00 66.70 67.74 1k9x h VAL 448 Cb 0.72 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1k9x h VAL 448 CO 0.06 0.03 0.42 0.00 0.02 0.00 0.00 177.57 178.10 1k9x h ALA 449 N 1.14 2.38 -0.67 1.67 0.00 -0.96 -0.59 119.26 122.22 1k9x h ALA 449 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k9x h ALA 449 Cb 0.07 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1k9x h ALA 449 CO -0.10 -0.54 0.00 1.63 0.00 0.00 0.00 179.25 180.24 1k9x n LYS 450 N -4.41 2.82 -2.74 0.00 4.01 -0.53 -4.65 118.16 112.66 1k9x n LYS 450 Ca 0.11 -2.60 -0.22 0.00 -0.51 0.00 0.00 58.31 55.10 1k9x n LYS 450 Cb 0.58 -1.55 0.02 0.00 -0.51 0.00 0.00 35.03 33.57 1k9x n LYS 450 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1k9x n ALA 451 N 1.45 -0.81 -2.91 7.82 0.00 -0.20 -4.92 120.51 120.93 1k9x n ALA 451 Ca 0.23 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.48 1k9x n ALA 451 Cb 0.61 -3.15 0.01 0.00 0.00 0.00 0.00 19.45 16.92 1k9x n ALA 451 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1k9x n GLU 452 N -3.58 4.38 0.11 0.00 1.02 0.52 -4.80 120.64 118.29 1k9x n GLU 452 Ca -0.18 -4.42 0.12 0.00 -0.02 0.00 0.00 57.16 52.66 1k9x n GLU 452 Cb 0.65 -2.57 0.14 0.00 -0.02 0.00 0.00 31.44 29.65 1k9x n GLU 452 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1k9x h PHE 453 N 5.47 0.00 -0.70 -0.32 -1.00 -1.85 -3.39 116.94 115.14 1k9x h PHE 453 Ca 0.23 0.00 0.15 0.00 2.81 0.00 0.00 57.97 61.16 1k9x h PHE 453 Cb 0.61 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.06 1k9x h PHE 453 CO 1.05 0.00 0.02 -0.44 -1.61 0.00 0.00 178.31 177.33 1k9x h ASP 454 N 0.00 -0.29 0.34 2.17 3.32 -1.90 0.26 116.42 120.33 1k9x h ASP 454 Ca 0.00 0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 1k9x h ASP 454 Cb 0.87 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1k9x h ASP 454 CO 0.00 -0.14 -0.33 1.55 -1.72 0.00 0.00 179.24 178.60 1k9x h PRO 455 N 0.12 0.00 -0.35 3.56 0.13 -1.99 0.36 132.00 133.83 1k9x h PRO 455 Ca 0.37 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.40 1k9x h PRO 455 Cb 0.64 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1k9x h PRO 455 CO -0.60 0.33 -0.20 0.82 -0.23 0.00 0.00 178.00 178.12 1k9x h ILE 456 N 0.00 1.29 -0.21 -3.56 2.04 -0.99 -0.13 117.51 115.94 1k9x h ILE 456 Ca -0.00 -1.33 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 1k9x h ILE 456 Cb 0.59 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.06 1k9x h ILE 456 CO 0.04 0.44 -0.29 0.11 0.00 0.00 0.00 178.15 178.44 1k9x h LYS 457 N 0.53 0.41 -0.28 2.37 1.57 -0.02 -1.26 116.57 119.90 1k9x h LYS 457 Ca 0.07 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.57 1k9x h LYS 457 Cb 0.75 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1k9x h LYS 457 CO 0.06 0.67 -0.30 0.00 -0.57 0.00 0.00 179.45 179.31 1k9x h ALA 458 N 1.33 0.41 0.16 3.86 0.00 -0.10 -0.87 119.26 124.04 1k9x h ALA 458 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1k9x h ALA 458 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1k9x h ALA 458 CO 0.05 0.43 -0.15 2.35 0.00 0.00 0.00 179.25 181.93 1k9x h TRP 459 N 0.42 -0.39 -0.70 0.00 7.01 -0.81 -0.86 115.95 120.62 1k9x h TRP 459 Ca 0.04 0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.17 1k9x h TRP 459 Cb 0.87 0.15 -0.05 0.00 -2.10 0.00 0.00 29.16 28.04 1k9x h TRP 459 CO 0.07 -0.23 0.47 -0.07 -2.79 0.00 0.00 178.44 175.89 1k9x h LEU 460 N -0.33 0.42 -0.09 0.65 4.07 -1.14 -0.89 115.31 117.99 1k9x h LEU 460 Ca 0.00 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1k9x h LEU 460 Cb 0.32 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.98 1k9x h LEU 460 CO -0.04 0.24 -0.05 -0.09 -1.08 0.00 0.00 178.44 177.42 1k9x h ARG 461 N 0.46 0.19 0.00 1.13 2.43 -0.37 -1.66 114.38 116.56 1k9x h ARG 461 Ca 0.33 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.32 1k9x h ARG 461 Cb 0.68 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1k9x h ARG 461 CO -0.11 0.57 -0.47 1.49 -1.51 0.00 0.00 179.97 179.94 1k9x h GLU 462 N -0.19 0.00 0.13 0.20 4.22 -0.55 -0.94 114.58 117.45 1k9x h GLU 462 Ca 0.02 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 59.10 1k9x h GLU 462 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1k9x h GLU 462 CO 0.01 0.47 -1.93 0.87 -2.18 0.00 0.00 179.01 176.26 1k9x h LYS 463 N 0.00 0.28 0.00 1.92 1.79 -1.26 -3.46 116.57 115.84 1k9x h LYS 463 Ca -0.00 -0.48 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 1k9x h LYS 463 Cb 1.11 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.94 1k9x h LYS 463 CO 0.06 1.20 -0.00 -0.89 -1.08 0.00 0.00 179.45 178.74 1k9x n ILE 464 N -3.48 0.40 -0.19 1.86 2.08 -0.66 -4.57 119.36 114.79 1k9x n ILE 464 Ca -0.29 0.13 -0.01 0.00 0.56 0.00 0.00 62.75 63.14 1k9x n ILE 464 Cb 1.05 -1.20 0.07 0.00 -0.75 0.00 0.00 39.64 38.81 1k9x n ILE 464 CO 0.00 0.00 0.00 0.45 0.56 0.00 0.00 176.55 177.56 1k9x h HIS 465 N -0.00 -0.23 -1.06 1.39 3.86 -1.51 -2.76 115.15 114.84 1k9x h HIS 465 Ca 0.00 0.05 0.29 0.00 -1.16 0.00 0.00 60.37 59.55 1k9x h HIS 465 Cb 0.00 0.19 -0.11 0.00 1.06 0.00 0.00 27.41 28.55 1k9x h HIS 465 CO -0.00 -0.23 0.66 -0.09 0.86 0.00 0.00 177.93 179.13 1k9x h ARG 466 N 0.03 0.38 0.00 2.45 2.43 -1.26 -1.22 114.38 117.19 1k9x h ARG 466 Ca 0.29 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1k9x h ARG 466 Cb 0.45 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1k9x h ARG 466 CO -0.58 0.25 0.00 0.91 -1.51 0.00 0.00 179.97 179.05 1k9x n TRP 467 N -4.76 0.18 0.00 2.20 7.02 -1.04 -4.33 117.44 116.71 1k9x n TRP 467 Ca 0.28 0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.82 1k9x n TRP 467 Cb 0.93 -0.59 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 1k9x n TRP 467 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k9x n GLY 468 N 0.98 2.88 1.34 6.99 0.00 -0.46 -1.65 105.19 115.27 1k9x n GLY 468 Ca 0.06 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 1k9x n GLY 468 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k9x n SER 469 N 2.91 3.66 0.01 1.61 7.64 0.20 -4.06 113.62 125.59 1k9x n SER 469 Ca 0.00 -3.35 -0.11 0.00 1.01 0.00 0.00 58.87 56.41 1k9x n SER 469 Cb 0.00 -0.64 -0.06 0.00 -1.01 0.00 0.00 64.21 62.50 1k9x n SER 469 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1k9x h ILE 470 N 1.70 0.99 -2.87 0.44 2.04 -1.50 -3.44 117.51 114.87 1k9x h ILE 470 Ca 0.18 -0.02 -0.60 0.00 1.00 0.00 0.00 64.86 65.42 1k9x h ILE 470 Cb 1.83 0.93 -0.10 0.00 -0.74 0.00 0.00 36.82 38.73 1k9x h ILE 470 CO 0.46 0.01 -0.64 -0.31 0.00 0.00 0.00 178.15 177.67 1k9x s TYR 471 N -6.19 2.90 0.78 1.37 1.51 -1.26 -4.54 117.35 111.92 1k9x s TYR 471 Ca -0.13 -0.11 -0.13 0.00 -1.01 0.00 0.00 57.07 55.69 1k9x s TYR 471 Cb 0.07 -1.41 0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1k9x s TYR 471 CO 0.67 0.52 1.15 -2.14 -1.11 0.00 0.00 175.55 174.63 1k9x s PRO 472 N -2.93 1.97 0.24 -1.71 0.02 -1.26 -4.60 135.00 126.72 1k9x s PRO 472 Ca 0.28 1.49 -0.14 0.00 0.02 0.00 0.00 61.00 62.65 1k9x s PRO 472 Cb -0.10 -1.84 0.29 0.00 0.02 0.00 0.00 34.50 32.88 1k9x s PRO 472 CO 0.19 -1.91 1.57 -1.35 -0.33 0.00 0.00 177.00 175.17 1k9x h PRO 473 N -0.88 -0.03 -0.36 5.54 0.11 -1.90 0.41 132.00 134.89 1k9x h PRO 473 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1k9x h PRO 473 Cb 1.26 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1k9x h PRO 473 CO 0.49 -0.02 0.20 0.87 -0.21 0.00 0.00 178.00 179.33 1k9x h LYS 474 N -0.03 0.50 -0.29 1.05 1.57 -1.91 -1.95 116.57 115.51 1k9x h LYS 474 Ca 0.36 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.99 1k9x h LYS 474 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1k9x h LYS 474 CO -0.90 0.40 -0.23 1.49 -0.57 0.00 0.00 179.45 179.64 1k9x h GLU 475 N 0.46 0.55 -0.66 3.15 4.81 -1.65 -2.10 114.58 119.14 1k9x h GLU 475 Ca 0.13 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 1k9x h GLU 475 Cb 0.04 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1k9x h GLU 475 CO -0.02 0.74 0.21 1.25 -0.73 0.00 0.00 179.01 180.47 1k9x h LEU 476 N 0.49 0.95 -0.56 1.64 5.85 -0.68 -2.16 115.31 120.83 1k9x h LEU 476 Ca 0.07 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.48 1k9x h LEU 476 Cb 0.67 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1k9x h LEU 476 CO 0.05 0.90 -0.10 0.25 -0.34 0.00 0.00 178.44 179.20 1k9x h LEU 477 N 0.95 1.04 0.50 2.25 5.85 -1.16 -0.79 115.31 123.96 1k9x h LEU 477 Ca 0.21 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 1k9x h LEU 477 Cb 0.28 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 1k9x h LEU 477 CO -0.01 1.15 -0.40 0.11 -0.34 0.00 0.00 178.44 178.95 1k9x h LYS 478 N 0.93 -0.85 -0.05 1.25 1.57 -1.12 0.66 116.57 118.96 1k9x h LYS 478 Ca 0.14 0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1k9x h LYS 478 Cb 0.67 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 1k9x h LYS 478 CO 0.05 -0.57 -0.04 0.87 -0.57 0.00 0.00 179.45 179.19 1k9x h LYS 479 N -0.88 0.07 0.21 3.15 1.57 -1.35 2.75 116.57 122.08 1k9x h LYS 479 Ca -0.05 -0.01 -0.33 0.00 -1.87 0.00 0.00 60.65 58.39 1k9x h LYS 479 Cb 0.75 -0.01 0.02 0.00 0.08 0.00 0.00 32.23 33.07 1k9x h LYS 479 CO -0.00 0.12 -1.50 0.00 -0.57 0.00 0.00 179.45 177.49 1k9x h ALA 480 N 1.90 -0.01 0.00 3.86 0.00 -0.67 -3.40 119.26 120.93 1k9x h ALA 480 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1k9x h ALA 480 Cb 0.12 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1k9x h ALA 480 CO 0.01 0.85 -0.77 -0.89 0.00 0.00 0.00 179.25 178.45 1k9x n ILE 481 N -3.63 0.00 -0.81 0.00 2.08 0.23 -4.98 119.36 112.25 1k9x n ILE 481 Ca -0.17 -0.16 0.00 0.00 0.56 0.00 0.00 62.75 62.98 1k9x n ILE 481 Cb 1.08 0.63 0.00 0.00 -0.75 0.00 0.00 39.64 40.60 1k9x n ILE 481 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1k9x n GLY 482 N 2.00 0.73 3.53 7.39 0.00 0.92 -5.00 105.19 114.77 1k9x n GLY 482 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1k9x n GLY 482 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k9x s GLU 483 N -0.19 1.42 0.86 1.61 -1.05 -1.25 -4.97 118.70 115.12 1k9x s GLU 483 Ca 0.00 -1.02 -0.12 0.00 -0.15 0.00 0.00 54.97 53.68 1k9x s GLU 483 Cb 0.00 0.49 0.15 0.00 -0.44 0.00 0.00 34.13 34.33 1k9x s GLU 483 CO 0.00 -0.59 1.21 -0.51 0.95 0.00 0.00 175.26 176.31 1k9x s ASP 484 N -2.93 3.77 0.49 0.83 1.01 -1.26 -3.96 116.67 114.62 1k9x s ASP 484 Ca 0.14 0.27 -0.24 0.00 0.71 0.00 0.00 52.55 53.44 1k9x s ASP 484 Cb -0.01 -0.53 -0.07 0.00 1.01 0.00 0.00 42.92 43.33 1k9x s ASP 484 CO 0.01 -2.31 1.40 -0.32 0.21 0.00 0.00 175.17 174.17 1k9x s MET 485 N -5.63 3.45 -0.07 8.23 -2.45 -1.26 -5.02 119.30 116.55 1k9x s MET 485 Ca 0.69 2.35 -0.03 0.00 -1.25 0.00 0.00 55.69 57.45 1k9x s MET 485 Cb -0.06 -2.49 0.04 0.00 1.25 0.00 0.00 34.83 33.57 1k9x s MET 485 CO 0.50 -0.98 0.12 0.34 1.05 0.00 0.00 175.02 176.05 1k9x s ASP 486 N -0.68 0.85 0.47 1.11 -1.08 -1.26 -5.02 116.67 111.05 1k9x s ASP 486 Ca 0.65 0.24 0.26 0.00 -0.52 0.00 0.00 52.55 53.19 1k9x s ASP 486 Cb -0.43 0.13 1.05 0.00 -1.46 0.00 0.00 42.92 42.21 1k9x s ASP 486 CO 0.53 -0.24 1.87 0.00 0.52 0.00 0.00 175.17 177.85 1k9x h ALA 487 N 8.34 1.04 -0.77 3.66 0.00 -1.92 -3.16 119.26 126.44 1k9x h ALA 487 Ca -0.14 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.75 1k9x h ALA 487 Cb 1.12 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 1k9x h ALA 487 CO 0.16 0.22 0.51 0.93 0.00 0.00 0.00 179.25 181.07 1k9x h GLU 488 N 0.00 0.46 -0.62 0.00 4.39 -1.95 -1.33 114.58 115.54 1k9x h GLU 488 Ca -0.00 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 1k9x h GLU 488 Cb 0.67 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1k9x h GLU 488 CO 0.02 0.31 0.24 1.88 -1.16 0.00 0.00 179.01 180.30 1k9x h TYR 489 N 0.48 0.92 -0.05 4.33 -1.99 -1.90 -1.26 116.97 117.49 1k9x h TYR 489 Ca 0.38 -0.06 -0.09 0.00 2.00 0.00 0.00 58.73 60.96 1k9x h TYR 489 Cb 0.79 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 39.23 1k9x h TYR 489 CO -0.00 0.71 -0.41 0.35 -0.00 0.00 0.00 178.16 178.81 1k9x h PHE 490 N 0.89 0.11 -0.01 4.88 3.57 -1.45 -1.91 116.94 123.03 1k9x h PHE 490 Ca 0.21 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.68 1k9x h PHE 490 Cb 0.19 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1k9x h PHE 490 CO 0.01 0.49 -0.00 0.28 -2.23 0.00 0.00 178.31 176.86 1k9x h VAL 491 N 0.08 1.34 -0.43 1.41 2.07 -1.14 -1.91 116.25 117.67 1k9x h VAL 491 Ca 0.01 -1.02 0.05 0.00 0.82 0.00 0.00 66.70 66.56 1k9x h VAL 491 Cb 0.76 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.50 1k9x h VAL 491 CO 0.06 0.27 0.17 -0.09 0.02 0.00 0.00 177.57 177.99 1k9x h ARG 492 N -0.41 0.34 -0.06 1.57 2.43 -1.13 0.25 114.38 117.36 1k9x h ARG 492 Ca 0.00 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 1k9x h ARG 492 Cb 0.44 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1k9x h ARG 492 CO 0.00 0.22 -0.12 2.35 -1.51 0.00 0.00 179.97 180.91 1k9x h TRP 493 N 0.35 -0.30 -0.67 2.20 7.01 -1.35 0.26 115.95 123.46 1k9x h TRP 493 Ca 0.20 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.28 1k9x h TRP 493 Cb 0.17 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 1k9x h TRP 493 CO -0.14 -0.18 0.36 0.28 -2.79 0.00 0.00 178.44 175.97 1k9x h VAL 494 N -0.17 0.94 -0.29 2.65 2.07 -0.93 0.33 116.25 120.85 1k9x h VAL 494 Ca 0.06 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1k9x h VAL 494 Cb 0.26 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 1k9x h VAL 494 CO -0.16 0.12 0.18 0.50 0.02 0.00 0.00 177.57 178.22 1k9x h LYS 495 N 0.65 0.39 0.00 1.57 3.64 -0.14 -2.33 116.57 120.35 1k9x h LYS 495 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 1k9x h LYS 495 Cb 0.23 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1k9x h LYS 495 CO -0.20 0.30 0.00 0.93 -2.27 0.00 0.00 179.45 178.20 1k9x h GLU 496 N 0.37 0.00 0.03 1.90 3.07 0.08 -1.10 114.58 118.94 1k9x h GLU 496 Ca 0.10 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.78 1k9x h GLU 496 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1k9x h GLU 496 CO -0.02 0.00 -0.98 -0.22 -1.40 0.00 0.00 179.01 176.39 1k9x h LYS 497 N 0.00 0.07 -0.01 2.33 3.64 -0.43 -3.42 116.57 118.75 1k9x h LYS 497 Ca 0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1k9x h LYS 497 Cb 0.47 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1k9x h LYS 497 CO 0.00 1.06 0.00 0.66 -2.27 0.00 0.00 179.45 178.90 1k9x n TYR 498 N -4.32 0.01 0.97 1.91 4.02 -0.96 -5.11 117.16 113.68 1k9x n TYR 498 Ca -0.24 -0.06 0.12 0.00 -0.01 0.00 0.00 57.90 57.70 1k9x n TYR 498 Cb 0.69 -0.01 0.10 0.00 -0.02 0.00 0.00 39.34 40.11 1k9x n TYR 498 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74