#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nl9 n MET 3 N 0.00 1.83 0.33 3.49 0.00 -1.25 -4.07 117.12 117.45 1nl9 n MET 3 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 57.70 57.50 1nl9 n MET 3 Cb 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 33.22 31.94 1nl9 n MET 3 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1nl9 h GLU 4 N 0.00 -0.77 -0.23 3.17 4.57 -1.98 -1.28 114.58 118.05 1nl9 h GLU 4 Ca -0.13 0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 57.95 1nl9 h GLU 4 Cb 1.06 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.82 1nl9 h GLU 4 CO 0.01 -0.50 -0.49 -0.22 -1.18 0.00 0.00 179.01 176.62 1nl9 h LYS 5 N -0.84 0.64 -0.88 1.92 1.63 -2.00 -2.90 116.57 114.13 1nl9 h LYS 5 Ca -0.08 -0.38 0.13 0.00 -0.85 0.00 0.00 60.65 59.47 1nl9 h LYS 5 Cb 0.63 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.21 1nl9 h LYS 5 CO 0.13 0.99 0.50 1.49 -3.45 0.00 0.00 179.45 179.11 1nl9 h GLU 6 N 0.51 0.74 -0.55 1.90 4.81 -1.68 0.35 114.58 120.65 1nl9 h GLU 6 Ca 0.02 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1nl9 h GLU 6 Cb 1.04 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1nl9 h GLU 6 CO 0.10 0.49 0.31 0.35 -0.73 0.00 0.00 179.01 179.53 1nl9 h PHE 7 N 0.76 0.58 0.55 0.92 3.57 -1.04 -0.35 116.94 121.93 1nl9 h PHE 7 Ca 0.46 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.95 1nl9 h PHE 7 Cb 0.55 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1nl9 h PHE 7 CO -0.06 0.31 -0.39 1.49 -2.23 0.00 0.00 178.31 177.43 1nl9 h GLU 8 N 0.61 -0.87 -0.53 1.11 4.57 -0.31 0.32 114.58 119.48 1nl9 h GLU 8 Ca 0.23 0.06 0.10 0.00 -1.18 0.00 0.00 59.36 58.57 1nl9 h GLU 8 Cb 0.08 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 28.76 1nl9 h GLU 8 CO -0.13 -0.58 -0.25 1.96 -1.18 0.00 0.00 179.01 178.84 1nl9 h GLN 9 N -0.90 -0.12 0.16 1.92 4.20 -0.52 -1.43 115.11 118.42 1nl9 h GLN 9 Ca -0.07 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1nl9 h GLN 9 Cb 0.74 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1nl9 h GLN 9 CO 0.04 -0.08 -0.08 0.82 -0.67 0.00 0.00 178.83 178.87 1nl9 h ILE 10 N -0.12 0.95 0.56 2.54 2.04 -0.99 -3.32 117.51 119.17 1nl9 h ILE 10 Ca 0.24 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1nl9 h ILE 10 Cb 0.50 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 1nl9 h ILE 10 CO -0.61 0.13 -0.50 -0.78 0.00 0.00 0.00 178.15 176.39 1nl9 h ASP 11 N -0.50 -1.35 0.00 1.72 1.82 -0.01 -2.61 116.42 115.50 1nl9 h ASP 11 Ca -0.02 0.10 -0.09 0.00 -0.39 0.00 0.00 57.03 56.63 1nl9 h ASP 11 Cb 0.38 0.44 -0.03 0.00 0.68 0.00 0.00 39.33 40.80 1nl9 h ASP 11 CO 0.04 -0.68 -0.16 2.29 -1.61 0.00 0.00 179.24 179.11 1nl9 n LYS 12 N -5.52 1.39 0.00 0.28 2.85 -0.57 -2.37 118.16 114.22 1nl9 n LYS 12 Ca -0.13 -0.47 0.00 0.00 -1.05 0.00 0.00 58.31 56.67 1nl9 n LYS 12 Cb 0.47 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.34 1nl9 n LYS 12 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1nl9 n SER 13 N 2.04 0.00 -4.08 -5.58 7.64 -1.04 -4.98 113.62 107.63 1nl9 n SER 13 Ca 0.20 -1.00 -0.31 0.00 1.01 0.00 0.00 58.87 58.77 1nl9 n SER 13 Cb 0.66 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 1nl9 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nl9 n GLY 14 N 0.00 -0.35 0.03 0.23 0.00 -1.00 -4.85 105.19 99.25 1nl9 n GLY 14 Ca 0.00 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.28 1nl9 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nl9 n SER 15 N -2.82 0.53 -0.23 1.61 7.64 -1.01 -4.55 113.62 114.79 1nl9 n SER 15 Ca -0.09 -0.27 -0.04 0.00 1.01 0.00 0.00 58.87 59.48 1nl9 n SER 15 Cb 0.58 1.16 0.02 0.00 -1.01 0.00 0.00 64.21 64.96 1nl9 n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1nl9 h TRP 16 N 0.00 -0.88 -0.97 1.43 4.06 -1.89 0.15 115.95 117.85 1nl9 h TRP 16 Ca 0.00 0.08 0.17 0.00 2.06 0.00 0.00 58.89 61.19 1nl9 h TRP 16 Cb 0.78 0.48 -0.09 0.00 -1.00 0.00 0.00 29.16 29.34 1nl9 h TRP 16 CO 0.00 -0.38 0.61 0.00 -3.56 0.00 0.00 178.44 175.11 1nl9 h ALA 17 N 1.13 1.75 -0.06 1.49 0.00 -1.91 0.80 119.26 122.47 1nl9 h ALA 17 Ca 0.26 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 1nl9 h ALA 17 Cb 0.56 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.25 1nl9 h ALA 17 CO -0.73 -0.06 -0.84 0.00 0.00 0.00 0.00 179.25 177.63 1nl9 h ALA 18 N 1.60 0.18 -0.18 0.00 0.00 -1.11 -2.51 119.26 117.25 1nl9 h ALA 18 Ca 0.52 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nl9 h ALA 18 Cb 0.81 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1nl9 h ALA 18 CO -0.29 0.60 0.11 0.82 0.00 0.00 0.00 179.25 180.49 1nl9 h ILE 19 N 0.33 1.08 -0.77 0.00 1.08 -0.01 -1.06 117.51 118.15 1nl9 h ILE 19 Ca -0.09 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.27 1nl9 h ILE 19 Cb 1.49 0.88 -0.07 0.00 -3.07 0.00 0.00 36.82 36.06 1nl9 h ILE 19 CO 0.17 0.07 0.44 0.22 -0.69 0.00 0.00 178.15 178.36 1nl9 h TYR 20 N 0.21 0.79 -0.37 1.37 3.20 -0.91 -0.85 116.97 120.41 1nl9 h TYR 20 Ca 0.06 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1nl9 h TYR 20 Cb 0.03 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1nl9 h TYR 20 CO -0.05 0.34 -0.02 1.96 -1.64 0.00 0.00 178.16 178.74 1nl9 h GLN 21 N 0.75 0.59 -0.31 1.82 1.08 -0.98 -1.46 115.11 116.61 1nl9 h GLN 21 Ca 0.37 -0.14 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 1nl9 h GLN 21 Cb 0.31 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1nl9 h GLN 21 CO -0.23 0.63 0.18 -0.44 -0.95 0.00 0.00 178.83 178.01 1nl9 h ASP 22 N 0.56 0.38 0.11 1.46 3.32 0.13 -1.10 116.42 121.27 1nl9 h ASP 22 Ca 0.11 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.10 1nl9 h ASP 22 Cb 0.39 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1nl9 h ASP 22 CO 0.02 0.34 -0.16 0.40 -1.72 0.00 0.00 179.24 178.12 1nl9 h ILE 23 N 0.38 0.64 -0.52 0.35 2.04 -0.93 -0.89 117.51 118.60 1nl9 h ILE 23 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1nl9 h ILE 23 Cb 0.04 0.64 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 1nl9 h ILE 23 CO -0.02 0.00 -0.00 0.03 0.00 0.00 0.00 178.15 178.16 1nl9 h ARG 24 N -0.32 0.11 -0.46 2.37 3.08 -1.04 0.68 114.38 118.81 1nl9 h ARG 24 Ca 0.02 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1nl9 h ARG 24 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1nl9 h ARG 24 CO -0.07 0.07 0.17 1.25 -1.07 0.00 0.00 179.97 180.32 1nl9 h HIS 25 N 0.11 0.66 0.00 3.04 2.76 -0.85 -2.99 115.15 117.89 1nl9 h HIS 25 Ca 0.26 -0.03 -0.18 0.00 -2.20 0.00 0.00 60.37 58.23 1nl9 h HIS 25 Cb 0.40 -0.20 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 1nl9 h HIS 25 CO -0.32 0.53 -1.16 0.93 -1.30 0.00 0.00 177.93 176.60 1nl9 h GLU 26 N 0.65 0.00 -6.23 5.26 5.08 0.27 -3.48 114.58 116.14 1nl9 h GLU 26 Ca 0.16 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.90 1nl9 h GLU 26 Cb 0.16 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.54 1nl9 h GLU 26 CO -0.01 0.47 -0.44 0.00 -1.00 0.00 0.00 179.01 178.03 1nl9 n ALA 27 N -2.37 -1.84 -1.17 3.43 0.00 0.22 -4.92 120.51 113.87 1nl9 n ALA 27 Ca -0.06 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.30 1nl9 n ALA 27 Cb 0.86 -1.73 0.11 0.00 0.00 0.00 0.00 19.45 18.69 1nl9 n ALA 27 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1nl9 s SER 28 N -0.91 4.00 -0.05 0.00 0.01 -1.26 -5.04 113.70 110.46 1nl9 s SER 28 Ca 0.62 2.17 -0.02 0.00 1.31 0.00 0.00 55.95 60.03 1nl9 s SER 28 Cb -0.69 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.00 1nl9 s SER 28 CO 0.59 -2.38 0.05 -0.62 0.41 0.00 0.00 173.24 171.28 1nl9 s ASP 29 N -2.53 1.26 0.17 2.44 3.68 -1.26 -4.94 116.67 115.49 1nl9 s ASP 29 Ca 0.69 0.03 0.03 0.00 2.13 0.00 0.00 52.55 55.43 1nl9 s ASP 29 Cb -0.24 -0.21 -0.05 0.00 -1.45 0.00 0.00 42.92 40.97 1nl9 s ASP 29 CO 0.50 -0.24 -0.04 -0.36 0.13 0.00 0.00 175.17 175.16 1nl9 s PHE 30 N 2.12 1.30 0.20 -5.34 0.08 -1.26 -5.14 117.98 109.94 1nl9 s PHE 30 Ca 0.05 -0.89 -0.30 0.00 0.12 0.00 0.00 56.93 55.91 1nl9 s PHE 30 Cb -0.12 -0.72 -0.08 0.00 -0.57 0.00 0.00 43.02 41.53 1nl9 s PHE 30 CO -0.04 -0.05 1.20 -1.25 -0.10 0.00 0.00 175.22 174.98 1nl9 s PRO 31 N -3.83 4.50 -0.54 0.24 0.04 -1.26 -4.90 135.00 129.25 1nl9 s PRO 31 Ca 0.21 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1nl9 s PRO 31 Cb 0.05 -3.23 0.39 0.00 0.04 0.00 0.00 34.50 31.75 1nl9 s PRO 31 CO 0.03 -0.07 1.18 0.00 0.04 0.00 0.00 177.00 178.19 1nl9 h ARG 33 N 2.79 -0.69 -0.80 0.00 2.43 -1.93 -2.86 114.38 113.31 1nl9 h ARG 33 Ca 0.29 0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.62 1nl9 h ARG 33 Cb 0.70 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.33 1nl9 h ARG 33 CO 0.91 -0.46 0.43 0.28 -1.51 0.00 0.00 179.97 179.62 1nl9 h VAL 34 N -0.72 0.84 0.00 0.20 2.07 -1.91 -1.09 116.25 115.64 1nl9 h VAL 34 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1nl9 h VAL 34 Cb 0.69 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1nl9 h VAL 34 CO -0.14 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.46 1nl9 h ALA 35 N 1.48 1.68 -0.01 1.67 0.00 -1.82 -2.68 119.26 119.58 1nl9 h ALA 35 Ca 0.40 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nl9 h ALA 35 Cb 0.45 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nl9 h ALA 35 CO -0.29 0.14 -0.09 1.63 0.00 0.00 0.00 179.25 180.65 1nl9 n LYS 36 N -4.21 1.39 -1.84 0.00 5.02 -0.43 -4.61 118.16 113.50 1nl9 n LYS 36 Ca -0.03 -0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 55.04 1nl9 n LYS 36 Cb 0.19 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 1nl9 n LYS 36 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nl9 s LEU 37 N -2.17 4.34 0.29 -0.35 1.43 -1.01 -4.88 118.68 116.33 1nl9 s LEU 37 Ca 0.33 2.97 0.04 0.00 -1.03 0.00 0.00 54.13 56.44 1nl9 s LEU 37 Cb 0.20 -3.66 0.69 0.00 0.03 0.00 0.00 46.19 43.46 1nl9 s LEU 37 CO 0.40 -0.85 1.74 -0.65 0.23 0.00 0.00 176.35 177.23 1nl9 h PRO 38 N 3.63 0.58 0.00 1.29 0.11 -1.91 -0.79 132.00 134.91 1nl9 h PRO 38 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nl9 h PRO 38 Cb 1.23 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nl9 h PRO 38 CO 0.69 0.39 0.00 0.36 -0.21 0.00 0.00 178.00 179.23 1nl9 n LYS 39 N -4.89 0.03 0.00 1.05 2.85 -1.26 -1.81 118.16 114.13 1nl9 n LYS 39 Ca 0.22 0.31 0.08 0.00 -1.05 0.00 0.00 58.31 57.86 1nl9 n LYS 39 Cb 0.58 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.49 1nl9 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1nl9 n ASN 40 N -1.46 1.98 -0.28 -5.58 3.02 -0.31 -4.60 115.26 108.03 1nl9 n ASN 40 Ca 0.03 -1.49 0.10 0.00 -0.03 0.00 0.00 54.58 53.19 1nl9 n ASN 40 Cb 0.11 0.20 0.24 0.00 -0.61 0.00 0.00 39.78 39.72 1nl9 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1nl9 h LYS 41 N 2.47 0.20 -0.43 3.52 3.64 -1.31 0.28 116.57 124.94 1nl9 h LYS 41 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1nl9 h LYS 41 Cb 0.59 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1nl9 h LYS 41 CO 0.00 0.13 0.00 0.27 -2.27 0.00 0.00 179.45 177.58 1nl9 n ASN 42 N -5.23 1.05 -0.52 4.20 2.04 -1.26 -2.91 115.26 112.63 1nl9 n ASN 42 Ca 0.18 -2.06 0.07 0.00 -0.44 0.00 0.00 54.58 52.33 1nl9 n ASN 42 Cb 0.59 -0.25 0.05 0.00 -2.53 0.00 0.00 39.78 37.64 1nl9 n ASN 42 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 1nl9 n ARG 43 N -0.06 0.85 -4.78 -3.83 1.74 1.00 -4.90 116.66 106.67 1nl9 n ARG 43 Ca 0.04 -1.27 -0.33 0.00 -0.77 0.00 0.00 57.85 55.52 1nl9 n ARG 43 Cb 0.21 -1.25 -0.14 0.00 -1.02 0.00 0.00 32.46 30.26 1nl9 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1nl9 s ASN 44 N -1.11 4.02 0.07 0.55 0.01 -1.15 -4.38 114.94 112.95 1nl9 s ASN 44 Ca 0.15 -0.32 -0.15 0.00 -0.71 0.00 0.00 52.86 51.83 1nl9 s ASN 44 Cb 0.11 -1.60 -0.19 0.00 0.41 0.00 0.00 41.25 39.98 1nl9 s ASN 44 CO 0.17 0.17 1.23 -0.09 -1.51 0.00 0.00 177.10 177.06 1nl9 h ARG 45 N 6.67 0.65 -5.12 -0.60 2.43 -1.89 -3.44 114.38 113.08 1nl9 h ARG 45 Ca -0.26 -0.59 -0.59 0.00 -0.81 0.00 0.00 59.98 57.73 1nl9 h ARG 45 Cb 1.21 0.14 -0.32 0.00 -0.42 0.00 0.00 29.97 30.58 1nl9 h ARG 45 CO 0.55 1.20 -0.84 0.71 -1.51 0.00 0.00 179.97 180.08 1nl9 s TYR 46 N -3.55 1.90 0.37 2.20 2.02 -1.26 -5.01 117.35 114.02 1nl9 s TYR 46 Ca -0.11 -0.66 0.31 0.00 -0.37 0.00 0.00 57.07 56.23 1nl9 s TYR 46 Cb 0.07 -1.30 1.53 0.00 -0.40 0.00 0.00 41.96 41.86 1nl9 s TYR 46 CO 0.88 -0.27 2.08 -0.09 -1.57 0.00 0.00 175.55 176.58 1nl9 h ARG 47 N 6.58 0.00 -0.70 -0.62 2.43 -1.96 -2.50 114.38 117.61 1nl9 h ARG 47 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1nl9 h ARG 47 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1nl9 h ARG 47 CO 0.47 0.09 0.00 -0.40 -1.51 0.00 0.00 179.97 178.62 1nl9 n ASP 48 N -3.44 4.00 -3.78 -3.80 5.75 -1.26 -4.76 116.55 109.26 1nl9 n ASP 48 Ca -0.01 -2.11 -0.30 0.00 -0.01 0.00 0.00 54.79 52.36 1nl9 n ASP 48 Cb 0.24 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 39.68 1nl9 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1nl9 s VAL 49 N -1.25 1.14 0.12 2.12 1.01 -0.94 -5.08 120.40 117.52 1nl9 s VAL 49 Ca 0.48 -1.61 0.04 0.00 0.00 0.00 0.00 61.98 60.89 1nl9 s VAL 49 Cb 0.26 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1nl9 s VAL 49 CO 0.30 -0.67 -0.10 -0.44 0.00 0.00 0.00 175.10 174.19 1nl9 s SER 50 N 1.44 1.63 0.13 3.32 0.01 -1.26 -4.65 113.70 114.32 1nl9 s SER 50 Ca 0.10 -0.93 -0.23 0.00 1.31 0.00 0.00 55.95 56.21 1nl9 s SER 50 Cb -0.18 0.00 -0.07 0.00 0.21 0.00 0.00 66.02 65.98 1nl9 s SER 50 CO -0.21 -0.30 0.69 -2.16 0.41 0.00 0.00 173.24 171.66 1nl9 s PRO 51 N -3.34 4.41 0.39 12.44 0.04 -1.26 -4.57 135.00 143.11 1nl9 s PRO 51 Ca 0.12 0.97 -0.26 0.00 0.04 0.00 0.00 61.00 61.87 1nl9 s PRO 51 Cb 0.00 -3.24 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 1nl9 s PRO 51 CO 0.00 0.59 1.30 -0.06 0.04 0.00 0.00 177.00 178.87 1nl9 s PHE 52 N -1.15 2.86 0.21 0.56 0.08 -1.26 -4.55 117.98 114.74 1nl9 s PHE 52 Ca 0.33 1.42 -0.09 0.00 0.12 0.00 0.00 56.93 58.71 1nl9 s PHE 52 Cb -0.21 -3.66 0.25 0.00 -0.57 0.00 0.00 43.02 38.83 1nl9 s PHE 52 CO 0.23 -2.02 1.82 -0.44 -0.10 0.00 0.00 175.22 174.71 1nl9 h ASP 53 N 2.77 0.60 -0.02 1.36 3.32 -1.43 -1.97 116.42 121.05 1nl9 h ASP 53 Ca -0.49 0.03 0.01 0.00 0.02 0.00 0.00 57.03 56.59 1nl9 h ASP 53 Cb 1.24 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1nl9 h ASP 53 CO 0.63 0.39 0.02 1.12 -1.72 0.00 0.00 179.24 179.67 1nl9 h HIS 54 N 0.73 0.00 -0.10 4.55 2.07 -1.91 -2.97 115.15 117.52 1nl9 h HIS 54 Ca 0.31 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.83 1nl9 h HIS 54 Cb 0.18 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.16 1nl9 h HIS 54 CO -0.07 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.66 1nl9 n SER 55 N -4.40 2.21 -4.76 3.10 3.41 -1.08 -5.05 113.62 107.05 1nl9 n SER 55 Ca -0.02 -1.92 -0.34 0.00 -0.26 0.00 0.00 58.87 56.33 1nl9 n SER 55 Cb 0.11 -0.07 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 1nl9 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nl9 s ARG 56 N -0.94 2.80 -0.03 4.33 1.70 -0.76 -0.78 118.95 125.27 1nl9 s ARG 56 Ca 0.07 1.51 -0.20 0.00 -0.47 0.00 0.00 55.73 56.64 1nl9 s ARG 56 Cb 0.04 -1.94 -0.05 0.00 -0.57 0.00 0.00 34.95 32.43 1nl9 s ARG 56 CO 0.05 -1.27 0.57 0.42 -1.08 0.00 0.00 175.30 173.99 1nl9 s ILE 57 N -2.15 4.98 -0.18 4.99 -1.09 -0.51 -4.78 121.20 122.46 1nl9 s ILE 57 Ca 0.70 1.19 -0.06 0.00 -2.23 0.00 0.00 60.65 60.24 1nl9 s ILE 57 Cb -0.23 -3.91 -0.04 0.00 -1.58 0.00 0.00 42.46 36.70 1nl9 s ILE 57 CO 0.39 0.39 0.04 -0.54 -1.23 0.00 0.00 174.94 173.99 1nl9 s LYS 58 N 0.04 3.88 0.39 2.79 1.02 -1.26 -4.36 119.74 122.23 1nl9 s LYS 58 Ca 0.30 -0.40 -0.25 0.00 0.02 0.00 0.00 55.97 55.65 1nl9 s LYS 58 Cb -0.17 -3.14 -0.09 0.00 -0.52 0.00 0.00 37.83 33.91 1nl9 s LYS 58 CO 0.16 0.24 1.06 -0.51 -0.92 0.00 0.00 175.35 175.38 1nl9 s LEU 59 N 0.44 4.18 0.00 3.17 1.43 -0.20 -4.91 118.68 122.78 1nl9 s LEU 59 Ca 0.01 2.08 0.13 0.00 -1.03 0.00 0.00 54.13 55.33 1nl9 s LEU 59 Cb -0.13 -4.12 0.79 0.00 0.03 0.00 0.00 46.19 42.76 1nl9 s LEU 59 CO 0.01 -0.47 1.34 1.41 0.23 0.00 0.00 176.35 178.87 1nl9 n HIS 60 N 0.06 0.00 -2.41 0.29 8.25 -1.26 -4.59 115.22 115.56 1nl9 n HIS 60 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1nl9 n HIS 60 Cb 0.49 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 1nl9 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1nl9 s GLN 61 N -2.00 3.90 0.10 -0.41 -2.07 -1.26 -4.99 119.66 112.93 1nl9 s GLN 61 Ca 0.20 0.88 0.23 0.00 -1.82 0.00 0.00 55.36 54.84 1nl9 s GLN 61 Cb 0.09 -2.16 -0.00 0.00 -1.09 0.00 0.00 33.01 29.85 1nl9 s GLN 61 CO 0.15 -0.27 0.97 0.39 -1.32 0.00 0.00 175.29 175.22 1nl9 n GLU 62 N -1.65 0.46 0.00 9.60 1.02 -1.26 -4.21 120.64 124.59 1nl9 n GLU 62 Ca 0.06 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1nl9 n GLU 62 Cb 0.54 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 1nl9 n GLU 62 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nl9 n ASP 63 N -2.27 0.00 -3.59 1.62 2.03 -1.26 -4.77 116.55 108.31 1nl9 n ASP 63 Ca 0.00 0.91 -0.20 0.00 0.52 0.00 0.00 54.79 56.02 1nl9 n ASP 63 Cb 0.50 -0.43 -0.15 0.00 -0.72 0.00 0.00 41.12 40.31 1nl9 n ASP 63 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1nl9 s ASN 64 N -2.04 1.43 -0.03 1.67 3.84 -1.26 -5.03 114.94 113.52 1nl9 s ASN 64 Ca 0.00 -0.13 0.07 0.00 0.21 0.00 0.00 52.86 53.01 1nl9 s ASN 64 Cb 0.00 0.14 0.24 0.00 -0.55 0.00 0.00 41.25 41.08 1nl9 s ASN 64 CO 0.00 -0.30 1.09 -0.90 -2.79 0.00 0.00 177.10 174.20 1nl9 n ASP 65 N 5.31 1.79 -4.80 -4.21 5.68 -1.26 -4.82 116.55 114.24 1nl9 n ASP 65 Ca -0.05 -2.11 -0.39 0.00 -0.50 0.00 0.00 54.79 51.74 1nl9 n ASP 65 Cb 0.50 -0.31 -0.06 0.00 -1.14 0.00 0.00 41.12 40.11 1nl9 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nl9 s TYR 66 N -1.64 3.84 -0.17 2.11 5.04 -1.26 -1.04 117.35 124.22 1nl9 s TYR 66 Ca 0.17 1.41 -0.24 0.00 -2.44 0.00 0.00 57.07 55.97 1nl9 s TYR 66 Cb 0.11 -2.60 0.06 0.00 0.35 0.00 0.00 41.96 39.88 1nl9 s TYR 66 CO 0.09 0.55 0.62 -1.50 -1.34 0.00 0.00 175.55 173.97 1nl9 s ILE 67 N -1.15 0.00 -1.15 3.14 2.07 -1.26 -4.91 121.20 117.95 1nl9 s ILE 67 Ca 0.32 -0.04 -0.21 0.00 -1.41 0.00 0.00 60.65 59.32 1nl9 s ILE 67 Cb -0.21 -0.89 0.04 0.00 0.13 0.00 0.00 42.46 41.54 1nl9 s ILE 67 CO 0.22 -0.02 1.64 0.21 -1.91 0.00 0.00 174.94 175.07 1nl9 s ASN 68 N -0.16 6.48 -0.18 4.50 3.84 -1.26 -4.65 114.94 123.50 1nl9 s ASN 68 Ca -0.04 -1.86 -0.18 0.00 0.21 0.00 0.00 52.86 51.00 1nl9 s ASN 68 Cb -0.03 -2.57 0.05 0.00 -0.55 0.00 0.00 41.25 38.14 1nl9 s ASN 68 CO 0.03 -1.53 0.51 0.00 -2.79 0.00 0.00 177.10 173.33 1nl9 s ALA 69 N 5.32 -1.26 -0.02 1.71 0.00 -1.26 -2.88 121.76 123.36 1nl9 s ALA 69 Ca 0.52 1.41 0.06 0.00 0.00 0.00 0.00 51.96 53.95 1nl9 s ALA 69 Cb 0.01 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1nl9 s ALA 69 CO -0.00 -0.25 -0.20 -1.12 0.00 0.00 0.00 175.76 174.19 1nl9 s SER 70 N 0.18 2.37 -0.48 0.00 0.01 -0.06 -1.43 113.70 114.29 1nl9 s SER 70 Ca -0.01 -0.37 -0.21 0.00 1.31 0.00 0.00 55.95 56.67 1nl9 s SER 70 Cb -0.04 -0.33 0.04 0.00 0.21 0.00 0.00 66.02 65.90 1nl9 s SER 70 CO 0.01 0.24 0.71 -0.22 0.41 0.00 0.00 173.24 174.39 1nl9 s LEU 71 N -0.39 4.50 -0.35 2.44 2.96 0.04 -1.49 118.68 126.40 1nl9 s LEU 71 Ca 0.06 -0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 53.31 1nl9 s LEU 71 Cb -0.08 -2.72 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1nl9 s LEU 71 CO -0.00 -0.91 0.70 -0.63 -1.32 0.00 0.00 176.35 174.19 1nl9 s ILE 72 N 3.04 4.83 -0.39 6.68 1.09 0.13 -4.90 121.20 131.69 1nl9 s ILE 72 Ca 0.23 0.76 -0.03 0.00 -1.10 0.00 0.00 60.65 60.52 1nl9 s ILE 72 Cb -0.15 -4.12 0.10 0.00 -1.06 0.00 0.00 42.46 37.23 1nl9 s ILE 72 CO 0.18 -0.33 0.16 -0.75 -0.10 0.00 0.00 174.94 174.10 1nl9 s LYS 73 N 2.85 2.10 -0.50 2.79 2.20 -1.26 -1.12 119.74 126.81 1nl9 s LYS 73 Ca 0.27 -1.69 -0.19 0.00 -0.36 0.00 0.00 55.97 54.00 1nl9 s LYS 73 Cb -0.14 -3.50 0.05 0.00 -1.51 0.00 0.00 37.83 32.73 1nl9 s LYS 73 CO 0.15 -0.97 0.63 -1.64 -0.36 0.00 0.00 175.35 173.16 1nl9 s MET 74 N 1.17 3.14 0.03 4.03 -1.94 -0.51 -4.96 119.30 120.28 1nl9 s MET 74 Ca 0.05 -0.81 -0.28 0.00 -1.71 0.00 0.00 55.69 52.95 1nl9 s MET 74 Cb -0.22 -4.08 -0.17 0.00 2.01 0.00 0.00 34.83 32.38 1nl9 s MET 74 CO -0.03 -1.20 1.32 0.93 -0.01 0.00 0.00 175.02 176.03 1nl9 h GLU 75 N 8.99 -0.66 -0.00 2.03 4.39 -1.96 0.16 114.58 127.52 1nl9 h GLU 75 Ca -0.27 0.05 0.03 0.00 0.34 0.00 0.00 59.36 59.51 1nl9 h GLU 75 Cb 1.09 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 1nl9 h GLU 75 CO 0.96 -0.36 -0.25 1.49 -1.16 0.00 0.00 179.01 179.68 1nl9 h GLU 76 N -0.91 -0.38 0.00 2.33 4.81 -1.97 -0.42 114.58 118.05 1nl9 h GLU 76 Ca -0.07 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nl9 h GLU 76 Cb 0.61 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.07 1nl9 h GLU 76 CO 0.12 -0.25 0.00 0.00 -0.73 0.00 0.00 179.01 178.15 1nl9 n ALA 77 N -2.67 1.72 -3.63 2.92 0.00 -1.25 -4.90 120.51 112.71 1nl9 n ALA 77 Ca -0.05 0.08 -0.21 0.00 0.00 0.00 0.00 53.44 53.26 1nl9 n ALA 77 Cb 0.28 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.38 1nl9 n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1nl9 n GLN 78 N -2.25 -4.73 -3.89 0.00 6.02 -0.03 -4.93 117.38 107.56 1nl9 n GLN 78 Ca 0.02 0.66 -0.11 0.00 -0.01 0.00 0.00 57.00 57.56 1nl9 n GLN 78 Cb 0.25 -5.25 -0.13 0.00 1.02 0.00 0.00 30.24 26.13 1nl9 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1nl9 s ARG 79 N -5.79 0.09 0.04 -1.09 3.52 -0.78 -4.95 118.95 110.00 1nl9 s ARG 79 Ca 0.06 -0.14 0.07 0.00 -0.13 0.00 0.00 55.73 55.60 1nl9 s ARG 79 Cb -0.02 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.38 1nl9 s ARG 79 CO 0.80 -0.01 -0.21 -1.12 -0.81 0.00 0.00 175.30 173.94 1nl9 s SER 80 N -0.36 2.53 0.01 -2.12 0.01 -1.26 -1.42 113.70 111.09 1nl9 s SER 80 Ca -0.04 -0.53 0.01 0.00 1.31 0.00 0.00 55.95 56.70 1nl9 s SER 80 Cb -0.03 -0.21 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 1nl9 s SER 80 CO -0.00 0.17 -0.03 -0.31 0.41 0.00 0.00 173.24 173.48 1nl9 s TYR 81 N -0.80 0.27 -0.34 2.43 1.51 -0.27 -4.05 117.35 116.10 1nl9 s TYR 81 Ca 0.08 -0.26 -0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1nl9 s TYR 81 Cb -0.09 -0.18 0.03 0.00 -0.11 0.00 0.00 41.96 41.62 1nl9 s TYR 81 CO 0.02 -0.08 0.12 0.42 -1.11 0.00 0.00 175.55 174.92 1nl9 s ILE 82 N -0.71 3.92 -0.12 2.71 1.01 -0.07 0.17 121.20 128.11 1nl9 s ILE 82 Ca -0.06 -1.03 -0.14 0.00 0.00 0.00 0.00 60.65 59.41 1nl9 s ILE 82 Cb -0.05 -3.19 -0.05 0.00 0.01 0.00 0.00 42.46 39.18 1nl9 s ILE 82 CO -0.00 -0.15 0.32 -0.76 0.00 0.00 0.00 174.94 174.35 1nl9 s LEU 83 N 1.44 4.30 0.07 2.97 1.02 -0.55 0.13 118.68 128.05 1nl9 s LEU 83 Ca -0.01 0.62 -0.04 0.00 0.02 0.00 0.00 54.13 54.72 1nl9 s LEU 83 Cb -0.19 -2.42 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 1nl9 s LEU 83 CO 0.03 0.15 0.06 0.28 0.02 0.00 0.00 176.35 176.89 1nl9 s THR 84 N 0.11 0.18 0.72 5.49 -1.32 -0.27 -0.89 115.64 119.67 1nl9 s THR 84 Ca 0.19 -1.58 -0.11 0.00 -1.21 0.00 0.00 61.69 58.97 1nl9 s THR 84 Cb -0.14 -1.50 0.02 0.00 -1.51 0.00 0.00 72.50 69.38 1nl9 s THR 84 CO 0.06 -0.83 1.07 0.00 -2.21 0.00 0.00 174.62 172.72 1nl9 s GLN 85 N -3.91 2.70 0.17 7.08 -2.07 -1.14 -3.93 119.66 118.57 1nl9 s GLN 85 Ca 0.08 0.79 -0.31 0.00 -1.82 0.00 0.00 55.36 54.09 1nl9 s GLN 85 Cb 0.07 -1.98 -0.10 0.00 -1.09 0.00 0.00 33.01 29.91 1nl9 s GLN 85 CO -0.09 -1.22 1.52 0.20 -1.32 0.00 0.00 175.29 174.38 1nl9 s GLY 86 N -3.92 1.74 0.77 2.60 0.00 -0.51 -4.88 107.32 103.13 1nl9 s GLY 86 Ca 0.59 1.33 -0.14 0.00 0.00 0.00 0.00 44.72 46.49 1nl9 s GLY 86 CO 0.54 2.54 1.18 -1.55 0.00 0.00 0.00 173.10 175.81 1nl9 n PRO 87 N 3.72 0.38 -3.72 2.90 -0.04 -1.26 -4.74 135.00 132.25 1nl9 n PRO 87 Ca 0.12 0.20 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1nl9 n PRO 87 Cb 0.39 -2.43 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 1nl9 n PRO 87 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nl9 s LEU 88 N -5.08 4.16 0.56 1.53 1.43 -1.26 -1.44 118.68 118.59 1nl9 s LEU 88 Ca 0.75 0.07 0.32 0.00 -1.03 0.00 0.00 54.13 54.24 1nl9 s LEU 88 Cb -0.31 -2.91 1.46 0.00 0.03 0.00 0.00 46.19 44.45 1nl9 s LEU 88 CO 0.49 -0.22 1.81 -0.65 0.23 0.00 0.00 176.35 178.01 1nl9 h PRO 89 N 1.01 0.00 -0.09 1.29 0.11 -1.96 0.17 132.00 132.52 1nl9 h PRO 89 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nl9 h PRO 89 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nl9 h PRO 89 CO 0.59 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.65 1nl9 n ASN 90 N -3.96 2.91 -0.11 -2.05 6.94 -1.26 -4.36 115.26 113.38 1nl9 n ASN 90 Ca 0.18 -1.92 0.01 0.00 -0.02 0.00 0.00 54.58 52.83 1nl9 n ASN 90 Cb 1.01 -0.04 0.03 0.00 -2.36 0.00 0.00 39.78 38.42 1nl9 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1nl9 n THR 91 N 1.25 1.07 -0.02 5.53 -2.24 0.55 -4.66 114.28 115.77 1nl9 n THR 91 Ca 0.14 -1.09 -0.05 0.00 -2.27 0.00 0.00 64.05 60.78 1nl9 n THR 91 Cb 0.55 0.45 0.15 0.00 -2.10 0.00 0.00 70.33 69.38 1nl9 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nl9 h GLY 93 N 1.02 0.98 1.01 0.00 0.00 -1.90 -2.28 103.07 101.91 1nl9 h GLY 93 Ca 0.07 -0.76 -0.05 0.00 0.00 0.00 0.00 47.33 46.59 1nl9 h GLY 93 CO 0.06 0.69 0.18 0.45 0.00 0.00 0.00 176.54 177.92 1nl9 h HIS 94 N 0.76 1.00 0.08 5.60 3.86 -1.77 -1.57 115.15 123.12 1nl9 h HIS 94 Ca 0.13 -0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.26 1nl9 h HIS 94 Cb 0.58 -0.29 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1nl9 h HIS 94 CO 0.04 0.83 -0.19 0.35 0.86 0.00 0.00 177.93 179.82 1nl9 h PHE 95 N 0.88 -0.49 0.00 2.45 3.04 -0.60 -0.38 116.94 121.85 1nl9 h PHE 95 Ca 0.20 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.12 1nl9 h PHE 95 Cb 0.30 0.21 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1nl9 h PHE 95 CO 0.02 -0.27 -0.17 -1.49 -2.02 0.00 0.00 178.31 174.38 1nl9 h TRP 96 N -0.35 0.00 -0.44 0.41 4.06 -1.33 -1.77 115.95 116.53 1nl9 h TRP 96 Ca 0.03 0.00 -0.14 0.00 2.06 0.00 0.00 58.89 60.84 1nl9 h TRP 96 Cb 0.38 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.53 1nl9 h TRP 96 CO -0.20 0.17 -0.28 1.49 -3.56 0.00 0.00 178.44 176.06 1nl9 h GLU 97 N 0.00 0.95 -0.41 0.49 4.81 -0.60 -1.66 114.58 118.17 1nl9 h GLU 97 Ca -0.00 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 58.74 1nl9 h GLU 97 Cb 0.59 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.94 1nl9 h GLU 97 CO 0.02 1.11 0.06 1.98 -0.73 0.00 0.00 179.01 181.44 1nl9 h MET 98 N 0.81 0.68 -0.63 1.92 4.05 -0.34 0.22 114.93 121.64 1nl9 h MET 98 Ca 0.09 -0.19 0.03 0.00 -0.28 0.00 0.00 59.70 59.36 1nl9 h MET 98 Cb 0.86 -0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.54 1nl9 h MET 98 CO 0.08 0.73 0.38 0.28 0.23 0.00 0.00 176.91 178.61 1nl9 h VAL 99 N 0.53 1.05 0.78 -5.77 2.07 -1.20 0.30 116.25 114.02 1nl9 h VAL 99 Ca 0.12 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1nl9 h VAL 99 Cb 0.39 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1nl9 h VAL 99 CO 0.01 0.13 -0.38 -0.25 0.02 0.00 0.00 177.57 177.11 1nl9 h TRP 100 N 0.74 -0.98 -0.82 1.57 2.91 -1.02 -1.34 115.95 117.02 1nl9 h TRP 100 Ca 0.26 -0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.33 1nl9 h TRP 100 Cb 0.06 0.32 -0.05 0.00 -0.51 0.00 0.00 29.16 28.97 1nl9 h TRP 100 CO -0.06 -0.60 0.53 0.93 -1.03 0.00 0.00 178.44 178.22 1nl9 h GLU 101 N -1.24 0.83 -0.03 2.65 5.08 -0.87 0.00 114.58 121.00 1nl9 h GLU 101 Ca -0.11 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1nl9 h GLU 101 Cb 0.82 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1nl9 h GLU 101 CO 0.18 0.55 0.00 1.04 -1.00 0.00 0.00 179.01 179.78 1nl9 n GLN 102 N -4.49 1.33 -2.90 2.33 1.13 0.09 -4.91 117.38 109.96 1nl9 n GLN 102 Ca 0.13 -0.49 -0.21 0.00 -1.94 0.00 0.00 57.00 54.49 1nl9 n GLN 102 Cb 0.25 -1.43 0.01 0.00 0.11 0.00 0.00 30.24 29.17 1nl9 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nl9 n LYS 103 N -0.36 -3.56 -2.01 -1.09 5.02 -0.01 -3.96 118.16 112.18 1nl9 n LYS 103 Ca 0.19 0.78 -0.37 0.00 -2.02 0.00 0.00 58.31 56.89 1nl9 n LYS 103 Cb 0.21 -5.53 0.03 0.00 -0.02 0.00 0.00 35.03 29.72 1nl9 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1nl9 s SER 104 N -2.48 5.40 -0.18 4.39 0.01 -0.56 -1.06 113.70 119.21 1nl9 s SER 104 Ca 0.22 2.45 0.05 0.00 1.31 0.00 0.00 55.95 59.99 1nl9 s SER 104 Cb -0.11 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.37 1nl9 s SER 104 CO 0.28 -1.46 -0.10 -1.14 0.41 0.00 0.00 173.24 171.23 1nl9 n ARG 105 N -1.25 0.82 -4.23 12.44 3.00 -1.26 -4.84 116.66 121.33 1nl9 n ARG 105 Ca 0.12 0.07 -0.19 0.00 -0.00 0.00 0.00 57.85 57.85 1nl9 n ARG 105 Cb 0.48 -1.39 -0.12 0.00 0.00 0.00 0.00 32.46 31.43 1nl9 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1nl9 s GLY 106 N -5.58 1.06 -0.12 5.14 0.00 -1.26 -1.39 107.32 105.17 1nl9 s GLY 106 Ca -0.20 -1.21 0.02 0.00 0.00 0.00 0.00 44.72 43.33 1nl9 s GLY 106 CO 0.51 -1.25 -0.19 0.14 0.00 0.00 0.00 173.10 172.32 1nl9 s VAL 107 N -1.69 1.79 -0.29 1.40 1.01 0.19 -1.88 120.40 120.92 1nl9 s VAL 107 Ca 0.06 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.15 1nl9 s VAL 107 Cb -0.07 -1.60 0.01 0.00 0.00 0.00 0.00 36.38 34.72 1nl9 s VAL 107 CO 0.03 0.50 0.06 -0.69 0.00 0.00 0.00 175.10 175.00 1nl9 s VAL 108 N 0.86 3.84 -0.21 2.92 1.01 0.19 -0.11 120.40 128.91 1nl9 s VAL 108 Ca -0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1nl9 s VAL 108 Cb -0.15 -2.98 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1nl9 s VAL 108 CO -0.01 0.09 -0.00 -0.32 0.00 0.00 0.00 175.10 174.86 1nl9 s MET 109 N 1.48 3.55 -0.13 2.72 0.00 0.20 -0.51 119.30 126.61 1nl9 s MET 109 Ca 0.02 -0.55 0.15 0.00 0.00 0.00 0.00 55.69 55.32 1nl9 s MET 109 Cb -0.17 -3.10 0.52 0.00 0.00 0.00 0.00 34.83 32.08 1nl9 s MET 109 CO 0.02 -0.09 1.43 1.28 0.00 0.00 0.00 175.02 177.66 1nl9 n LEU 110 N 4.54 3.90 0.00 4.11 4.77 -0.33 -0.34 117.00 133.64 1nl9 n LEU 110 Ca -0.17 -2.67 -0.18 0.00 -0.03 0.00 0.00 56.01 52.96 1nl9 n LEU 110 Cb 0.51 -0.48 -0.07 0.00 -2.33 0.00 0.00 43.42 41.06 1nl9 n LEU 110 CO 0.31 0.70 -0.02 -0.46 -1.33 0.00 0.00 177.39 176.59 1nl9 n ASN 111 N 0.07 -0.89 -4.74 -1.43 6.94 -1.25 -4.76 115.26 109.20 1nl9 n ASN 111 Ca 0.20 -3.12 -0.25 0.00 -0.02 0.00 0.00 54.58 51.39 1nl9 n ASN 111 Cb 0.79 1.92 -0.06 0.00 -2.36 0.00 0.00 39.78 40.07 1nl9 n ASN 111 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1nl9 s ARG 112 N -3.20 2.65 0.32 -3.83 0.52 -1.26 -4.83 118.95 109.32 1nl9 s ARG 112 Ca 0.37 -1.06 0.02 0.00 -0.52 0.00 0.00 55.73 54.54 1nl9 s ARG 112 Cb 0.01 -2.46 0.59 0.00 0.52 0.00 0.00 34.95 33.61 1nl9 s ARG 112 CO 0.26 0.44 1.95 0.28 0.02 0.00 0.00 175.30 178.25 1nl9 h VAL 113 N 2.06 1.09 -3.33 3.52 2.07 -1.95 -3.40 116.25 116.31 1nl9 h VAL 113 Ca -0.47 -0.32 -0.60 0.00 0.82 0.00 0.00 66.70 66.13 1nl9 h VAL 113 Cb 1.22 0.06 -0.34 0.00 -1.52 0.00 0.00 31.29 30.71 1nl9 h VAL 113 CO 0.60 0.17 -0.84 -0.32 0.02 0.00 0.00 177.57 177.20 1nl9 s MET 114 N -5.82 2.37 -0.07 1.57 -2.45 -1.26 -1.21 119.30 112.43 1nl9 s MET 114 Ca -0.11 -0.63 -0.05 0.00 -1.25 0.00 0.00 55.69 53.65 1nl9 s MET 114 Cb 0.19 -1.91 0.03 0.00 1.25 0.00 0.00 34.83 34.39 1nl9 s MET 114 CO 0.79 0.04 0.18 -1.21 1.05 0.00 0.00 175.02 175.87 1nl9 s GLU 115 N 0.69 0.18 -1.36 4.11 2.02 -0.69 -4.84 118.70 118.81 1nl9 s GLU 115 Ca -0.13 0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.18 1nl9 s GLU 115 Cb -0.16 0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.08 1nl9 s GLU 115 CO 0.03 -0.08 0.00 1.63 0.02 0.00 0.00 175.26 176.86 1nl9 n LYS 116 N 3.44 -1.24 -1.15 1.61 4.76 -1.26 -2.72 118.16 121.60 1nl9 n LYS 116 Ca -0.17 0.78 -0.05 0.00 -2.87 0.00 0.00 58.31 55.99 1nl9 n LYS 116 Cb 0.56 -5.13 -0.02 0.00 -1.84 0.00 0.00 35.03 28.60 1nl9 n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nl9 n GLY 117 N -1.02 0.75 3.18 0.72 0.00 -1.26 -5.00 105.19 102.56 1nl9 n GLY 117 Ca -0.18 -0.40 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 1nl9 n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nl9 s SER 118 N -2.56 0.25 -0.09 1.61 1.04 -1.10 -5.13 113.70 107.72 1nl9 s SER 118 Ca 0.00 -0.89 -0.30 0.00 0.48 0.00 0.00 55.95 55.24 1nl9 s SER 118 Cb 0.00 0.31 -0.02 0.00 0.10 0.00 0.00 66.02 66.41 1nl9 s SER 118 CO 0.00 -0.72 1.03 -0.76 0.98 0.00 0.00 173.24 173.77 1nl9 s LEU 119 N -2.93 4.26 0.00 2.42 1.43 -1.26 -1.71 118.68 120.89 1nl9 s LEU 119 Ca 0.11 1.58 0.16 0.00 -1.03 0.00 0.00 54.13 54.95 1nl9 s LEU 119 Cb 0.06 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 1nl9 s LEU 119 CO -0.07 -0.45 0.82 0.29 0.23 0.00 0.00 176.35 177.18 1nl9 n LYS 120 N 4.92 1.70 -3.64 1.70 4.76 -0.35 -4.96 118.16 122.29 1nl9 n LYS 120 Ca 0.09 -0.65 -0.07 0.00 -2.87 0.00 0.00 58.31 54.81 1nl9 n LYS 120 Cb 0.49 -1.27 -0.07 0.00 -1.84 0.00 0.00 35.03 32.33 1nl9 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nl9 s ALA 122 N 0.31 2.58 -1.24 0.00 0.00 -0.52 -4.65 121.76 118.24 1nl9 s ALA 122 Ca 0.03 0.35 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1nl9 s ALA 122 Cb -0.05 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.88 1nl9 s ALA 122 CO -0.09 -1.16 1.70 -1.14 0.00 0.00 0.00 175.76 175.07 1nl9 s GLN 123 N -4.40 3.81 0.00 0.00 2.00 -1.26 -4.77 119.66 115.04 1nl9 s GLN 123 Ca 0.63 -1.78 0.29 0.00 -2.00 0.00 0.00 55.36 52.51 1nl9 s GLN 123 Cb -0.17 -5.49 1.37 0.00 0.80 0.00 0.00 33.01 29.52 1nl9 s GLN 123 CO 0.45 -2.37 1.95 2.48 -0.50 0.00 0.00 175.29 177.30 1nl9 n TYR 124 N 8.91 0.00 -4.33 1.67 0.18 -1.26 -4.85 117.16 117.48 1nl9 n TYR 124 Ca 0.46 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 60.01 1nl9 n TYR 124 Cb 0.47 -0.22 -0.13 0.00 -0.38 0.00 0.00 39.34 39.08 1nl9 n TYR 124 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 1nl9 s TRP 125 N -2.50 1.59 0.23 -3.48 -2.14 -1.26 -5.07 118.94 106.30 1nl9 s TRP 125 Ca 0.29 -0.41 -0.30 0.00 2.66 0.00 0.00 56.10 58.34 1nl9 s TRP 125 Cb 0.20 -0.90 -0.10 0.00 -3.10 0.00 0.00 33.47 29.58 1nl9 s TRP 125 CO 0.47 0.13 1.39 -1.25 -2.66 0.00 0.00 176.95 175.03 1nl9 s PRO 126 N -1.65 4.31 0.01 3.25 0.04 -1.26 -4.93 135.00 134.77 1nl9 s PRO 126 Ca 0.04 2.21 0.24 0.00 0.04 0.00 0.00 61.00 63.53 1nl9 s PRO 126 Cb -0.10 -3.14 0.41 0.00 0.04 0.00 0.00 34.50 31.71 1nl9 s PRO 126 CO 0.03 -0.36 1.34 1.04 0.04 0.00 0.00 177.00 179.09 1nl9 n GLN 127 N 2.47 0.04 -4.15 4.56 6.02 -1.26 -4.68 117.38 120.38 1nl9 n GLN 127 Ca 0.07 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.87 1nl9 n GLN 127 Cb 0.41 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 29.99 1nl9 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1nl9 s LYS 128 N -3.02 0.73 0.25 -1.09 1.02 -1.26 -5.04 119.74 111.32 1nl9 s LYS 128 Ca 0.10 -0.10 -0.06 0.00 0.02 0.00 0.00 55.97 55.93 1nl9 s LYS 128 Cb 0.17 -0.75 0.46 0.00 -0.52 0.00 0.00 37.83 37.19 1nl9 s LYS 128 CO 0.72 -0.06 1.66 0.93 -0.92 0.00 0.00 175.35 177.68 1nl9 h GLU 129 N 7.03 0.17 0.00 1.68 3.07 -1.90 0.31 114.58 124.95 1nl9 h GLU 129 Ca -0.38 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.47 1nl9 h GLU 129 Cb 1.15 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 1nl9 h GLU 129 CO 0.48 0.11 0.00 -0.85 -1.40 0.00 0.00 179.01 177.35 1nl9 n GLU 130 N -5.26 0.15 -3.72 2.33 0.00 -1.26 -4.27 120.64 108.61 1nl9 n GLU 130 Ca 0.14 0.32 -0.34 0.00 0.00 0.00 0.00 57.16 57.28 1nl9 n GLU 130 Cb 0.48 -1.75 -0.09 0.00 0.00 0.00 0.00 31.44 30.08 1nl9 n GLU 130 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1nl9 s LYS 131 N -3.19 2.90 0.82 3.44 -0.14 0.10 -5.08 119.74 118.58 1nl9 s LYS 131 Ca 0.06 -3.08 -0.12 0.00 -1.36 0.00 0.00 55.97 51.48 1nl9 s LYS 131 Cb 0.10 -3.78 0.08 0.00 -1.68 0.00 0.00 37.83 32.56 1nl9 s LYS 131 CO 0.40 -1.24 1.12 -1.83 -0.76 0.00 0.00 175.35 173.05 1nl9 s GLU 132 N -1.01 1.93 -0.01 1.68 1.03 -1.26 -4.54 118.70 116.53 1nl9 s GLU 132 Ca 0.24 0.40 0.06 0.00 0.03 0.00 0.00 54.97 55.70 1nl9 s GLU 132 Cb -0.11 -1.92 -0.03 0.00 -0.80 0.00 0.00 34.13 31.27 1nl9 s GLU 132 CO -0.10 -1.67 -0.19 -1.64 -1.33 0.00 0.00 175.26 170.33 1nl9 s MET 133 N -5.31 2.24 -0.15 -4.83 -1.94 -0.28 -4.99 119.30 104.04 1nl9 s MET 133 Ca 0.61 -0.86 0.00 0.00 -1.71 0.00 0.00 55.69 53.74 1nl9 s MET 133 Cb -0.13 -2.22 0.02 0.00 2.01 0.00 0.00 34.83 34.51 1nl9 s MET 133 CO 0.52 0.58 -0.15 0.42 -0.01 0.00 0.00 175.02 176.38 1nl9 s ILE 134 N -0.77 1.61 -0.77 2.53 -1.09 -1.26 -0.89 121.20 120.56 1nl9 s ILE 134 Ca 0.12 -0.66 -0.15 0.00 -2.23 0.00 0.00 60.65 57.73 1nl9 s ILE 134 Cb -0.10 -1.50 0.20 0.00 -1.58 0.00 0.00 42.46 39.47 1nl9 s ILE 134 CO 0.02 0.47 0.73 -0.36 -1.23 0.00 0.00 174.94 174.56 1nl9 s PHE 135 N 1.44 3.62 0.26 3.97 0.08 0.22 -4.93 117.98 122.65 1nl9 s PHE 135 Ca 0.04 -1.81 -0.03 0.00 0.12 0.00 0.00 56.93 55.26 1nl9 s PHE 135 Cb -0.13 -3.84 0.41 0.00 -0.57 0.00 0.00 43.02 38.89 1nl9 s PHE 135 CO -0.10 -1.02 1.88 0.93 -0.10 0.00 0.00 175.22 176.80 1nl9 h GLU 136 N 8.07 1.12 -0.51 0.44 5.08 -1.96 0.11 114.58 126.93 1nl9 h GLU 136 Ca 0.02 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1nl9 h GLU 136 Cb 1.05 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.02 1nl9 h GLU 136 CO 0.83 0.74 0.28 0.38 -1.00 0.00 0.00 179.01 180.25 1nl9 h ASP 137 N 1.16 0.62 -0.34 1.42 2.03 -1.97 -2.74 116.42 116.60 1nl9 h ASP 137 Ca 0.43 -0.04 0.00 0.00 -0.73 0.00 0.00 57.03 56.69 1nl9 h ASP 137 Cb 0.18 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1nl9 h ASP 137 CO -0.18 0.50 0.00 0.35 -1.03 0.00 0.00 179.24 178.89 1nl9 n THR 138 N -4.41 0.91 -3.76 1.15 -2.24 -1.05 -5.01 114.28 99.87 1nl9 n THR 138 Ca 0.04 -0.96 -0.35 0.00 -2.27 0.00 0.00 64.05 60.52 1nl9 n THR 138 Cb 0.10 0.57 0.04 0.00 -2.10 0.00 0.00 70.33 68.93 1nl9 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1nl9 n ASN 139 N 0.59 -5.11 -4.15 3.42 5.15 0.32 -4.93 115.26 110.55 1nl9 n ASN 139 Ca 0.12 -1.08 -0.19 0.00 -0.60 0.00 0.00 54.58 52.84 1nl9 n ASN 139 Cb 0.43 -3.03 -0.12 0.00 -0.53 0.00 0.00 39.78 36.52 1nl9 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1nl9 s LEU 140 N -6.67 2.23 -0.04 1.20 1.43 -0.92 -2.41 118.68 113.51 1nl9 s LEU 140 Ca 0.48 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 53.09 1nl9 s LEU 140 Cb -0.19 -0.52 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 1nl9 s LEU 140 CO 0.88 -0.04 -0.21 -0.75 0.23 0.00 0.00 176.35 176.46 1nl9 s LYS 141 N -1.49 1.96 -0.07 1.70 2.20 -0.32 -0.61 119.74 123.11 1nl9 s LYS 141 Ca -0.01 -0.75 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 1nl9 s LYS 141 Cb -0.09 -1.76 0.02 0.00 -1.51 0.00 0.00 37.83 34.49 1nl9 s LYS 141 CO 0.02 0.37 -0.10 -1.17 -0.36 0.00 0.00 175.35 174.11 1nl9 s LEU 142 N -0.24 1.48 -0.03 5.43 2.96 -0.06 -0.06 118.68 128.15 1nl9 s LEU 142 Ca 0.01 -0.26 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1nl9 s LEU 142 Cb -0.11 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 1nl9 s LEU 142 CO 0.01 -0.02 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.98 1nl9 s THR 143 N 0.93 1.31 -0.38 3.68 2.01 -0.13 -1.13 115.64 121.93 1nl9 s THR 143 Ca -0.10 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 60.97 1nl9 s THR 143 Cb -0.15 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1nl9 s THR 143 CO 0.01 0.38 0.96 -0.22 -0.69 0.00 0.00 174.62 175.05 1nl9 s LEU 144 N -0.10 3.96 -0.06 4.42 2.96 -1.26 -0.69 118.68 127.90 1nl9 s LEU 144 Ca 0.00 0.59 -0.11 0.00 -0.22 0.00 0.00 54.13 54.39 1nl9 s LEU 144 Cb -0.09 -3.31 -0.30 0.00 0.50 0.00 0.00 46.19 42.99 1nl9 s LEU 144 CO 0.01 -0.91 0.61 0.40 -1.32 0.00 0.00 176.35 175.15 1nl9 h ILE 145 N 5.86 0.89 0.00 6.68 1.08 -1.51 -3.37 117.51 127.16 1nl9 h ILE 145 Ca -0.23 -2.48 0.00 0.00 -0.39 0.00 0.00 64.86 61.77 1nl9 h ILE 145 Cb 1.07 2.72 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 1nl9 h ILE 145 CO 1.00 0.85 0.00 -1.54 -0.69 0.00 0.00 178.15 177.78 1nl9 n SER 146 N -3.61 0.00 -3.83 1.72 3.41 -1.13 -5.00 113.62 105.18 1nl9 n SER 146 Ca -0.26 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.24 1nl9 n SER 146 Cb 1.06 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.92 1nl9 n SER 146 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1nl9 s GLU 147 N -2.00 0.65 -0.33 4.33 -1.05 -1.26 0.37 118.70 119.41 1nl9 s GLU 147 Ca 0.00 -0.51 0.03 0.00 -0.15 0.00 0.00 54.97 54.34 1nl9 s GLU 147 Cb 0.00 0.27 0.10 0.00 -0.44 0.00 0.00 34.13 34.06 1nl9 s GLU 147 CO 0.00 -0.18 0.06 0.34 0.95 0.00 0.00 175.26 176.42 1nl9 s ASP 148 N -1.84 4.64 -0.18 0.83 3.68 0.13 -4.98 116.67 118.95 1nl9 s ASP 148 Ca -0.08 -2.06 -0.25 0.00 2.13 0.00 0.00 52.55 52.29 1nl9 s ASP 148 Cb -0.03 -1.49 -0.02 0.00 -1.45 0.00 0.00 42.92 39.93 1nl9 s ASP 148 CO -0.02 -0.38 0.80 -0.63 0.13 0.00 0.00 175.17 175.07 1nl9 s ILE 149 N 1.03 4.90 0.48 4.11 1.01 -1.26 -2.04 121.20 129.42 1nl9 s ILE 149 Ca 0.11 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.32 1nl9 s ILE 149 Cb -0.19 -4.11 -0.00 0.00 0.01 0.00 0.00 42.46 38.17 1nl9 s ILE 149 CO -0.11 0.03 0.00 0.29 0.00 0.00 0.00 174.94 175.16 1nl9 n LYS 150 N 5.26 0.83 0.18 2.79 5.02 -0.25 -5.01 118.16 126.98 1nl9 n LYS 150 Ca 0.04 -3.50 -0.17 0.00 -2.02 0.00 0.00 58.31 52.66 1nl9 n LYS 150 Cb 0.49 0.96 -0.10 0.00 -0.02 0.00 0.00 35.03 36.36 1nl9 n LYS 150 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 1nl9 h SER 151 N 1.17 -1.48 -0.18 4.39 0.02 -2.03 -3.28 113.55 112.16 1nl9 h SER 151 Ca -0.40 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 1nl9 h SER 151 Cb 1.21 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.27 1nl9 h SER 151 CO 0.66 -0.59 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1nl9 n TYR 152 N -5.51 0.22 -3.53 3.45 4.11 -1.26 -4.87 117.16 109.77 1nl9 n TYR 152 Ca -0.10 -0.15 -0.08 0.00 -0.00 0.00 0.00 57.90 57.58 1nl9 n TYR 152 Cb 0.43 -0.00 -0.02 0.00 -0.00 0.00 0.00 39.34 39.75 1nl9 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1nl9 s TYR 153 N -1.32 -0.31 -0.02 -3.48 -0.85 -1.24 -2.77 117.35 107.36 1nl9 s TYR 153 Ca 0.25 0.17 0.05 0.00 -0.52 0.00 0.00 57.07 57.03 1nl9 s TYR 153 Cb 0.16 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 43.03 1nl9 s TYR 153 CO 0.23 -0.51 -0.18 0.99 -1.52 0.00 0.00 175.55 174.56 1nl9 s THR 154 N -3.04 1.44 -0.13 -3.49 2.01 0.20 -1.09 115.64 111.54 1nl9 s THR 154 Ca 0.06 -0.76 0.01 0.00 0.31 0.00 0.00 61.69 61.31 1nl9 s THR 154 Cb -0.01 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.29 1nl9 s THR 154 CO -0.08 0.41 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.41 1nl9 s VAL 155 N -0.29 2.74 0.04 3.82 1.01 -0.87 -0.93 120.40 125.92 1nl9 s VAL 155 Ca 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1nl9 s VAL 155 Cb -0.08 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1nl9 s VAL 155 CO 0.00 0.53 -0.26 -0.13 0.00 0.00 0.00 175.10 175.24 1nl9 s ARG 156 N 0.52 1.83 -0.25 2.72 0.52 -0.12 0.19 118.95 124.36 1nl9 s ARG 156 Ca -0.10 -1.10 -0.09 0.00 -0.52 0.00 0.00 55.73 53.92 1nl9 s ARG 156 Cb -0.16 -1.99 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1nl9 s ARG 156 CO 0.04 0.52 0.11 -0.65 0.02 0.00 0.00 175.30 175.34 1nl9 s GLN 157 N -1.21 3.80 0.17 3.54 -0.21 0.16 -0.80 119.66 125.12 1nl9 s GLN 157 Ca 0.12 -0.40 0.11 0.00 0.02 0.00 0.00 55.36 55.20 1nl9 s GLN 157 Cb -0.10 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 1nl9 s GLN 157 CO 0.02 -0.13 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.32 1nl9 s LEU 158 N 1.52 2.41 -0.22 2.90 1.43 0.16 -1.20 118.68 125.68 1nl9 s LEU 158 Ca 0.06 -0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 52.32 1nl9 s LEU 158 Cb -0.15 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 44.99 1nl9 s LEU 158 CO 0.06 0.10 -0.13 -0.70 0.23 0.00 0.00 176.35 175.91 1nl9 s GLU 159 N -2.56 2.87 -0.19 1.70 2.12 0.13 -1.08 118.70 121.69 1nl9 s GLU 159 Ca 0.18 -0.93 -0.08 0.00 0.36 0.00 0.00 54.97 54.50 1nl9 s GLU 159 Cb -0.08 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.47 1nl9 s GLU 159 CO 0.08 -0.32 0.07 -1.17 -0.54 0.00 0.00 175.26 173.38 1nl9 s LEU 160 N 1.29 3.81 -0.04 2.70 2.96 -0.54 -0.96 118.68 127.90 1nl9 s LEU 160 Ca 0.01 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 1nl9 s LEU 160 Cb -0.15 -1.97 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1nl9 s LEU 160 CO -0.08 0.14 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.22 1nl9 s GLU 161 N 0.55 1.81 -0.71 1.98 2.12 0.91 -0.90 118.70 124.45 1nl9 s GLU 161 Ca 0.04 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 54.52 1nl9 s GLU 161 Cb -0.13 -1.58 0.07 0.00 0.26 0.00 0.00 34.13 32.76 1nl9 s GLU 161 CO 0.01 0.26 1.03 1.21 -0.54 0.00 0.00 175.26 177.23 1nl9 s ASN 162 N 0.00 6.23 0.56 -1.70 3.84 0.38 -1.17 114.94 123.09 1nl9 s ASN 162 Ca -0.03 -1.08 0.26 0.00 0.21 0.00 0.00 52.86 52.22 1nl9 s ASN 162 Cb -0.11 -2.43 1.53 0.00 -0.55 0.00 0.00 41.25 39.69 1nl9 s ASN 162 CO 0.02 -1.44 2.08 -0.07 -2.79 0.00 0.00 177.10 174.90 1nl9 h LEU 163 N 11.45 0.00 -0.72 3.21 3.38 -1.76 1.22 115.31 132.09 1nl9 h LEU 163 Ca -0.22 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 1nl9 h LEU 163 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1nl9 h LEU 163 CO 1.19 0.00 -0.33 0.74 0.09 0.00 0.00 178.44 180.13 1nl9 h THR 164 N 0.00 1.29 -0.01 0.22 2.02 -1.90 -3.26 112.91 111.27 1nl9 h THR 164 Ca 0.11 -1.46 0.00 0.00 0.77 0.00 0.00 66.41 65.83 1nl9 h THR 164 Cb 0.55 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1nl9 h THR 164 CO -0.00 0.47 -0.16 0.35 0.37 0.00 0.00 175.52 176.55 1nl9 n THR 165 N -4.07 0.00 -1.16 3.16 -2.24 -0.69 -4.98 114.28 104.31 1nl9 n THR 165 Ca -0.01 -0.42 -0.05 0.00 -2.27 0.00 0.00 64.05 61.30 1nl9 n THR 165 Cb 0.48 1.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.78 1nl9 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nl9 n GLN 166 N -0.26 -1.54 -2.86 -0.78 6.02 0.41 -4.96 117.38 113.40 1nl9 n GLN 166 Ca 0.03 0.63 -0.34 0.00 -0.01 0.00 0.00 57.00 57.31 1nl9 n GLN 166 Cb 0.17 -4.89 -0.07 0.00 1.02 0.00 0.00 30.24 26.48 1nl9 n GLN 166 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 1nl9 s GLU 167 N -2.23 4.32 0.14 -1.09 2.12 -1.17 -4.84 118.70 115.95 1nl9 s GLU 167 Ca 0.00 1.12 0.05 0.00 0.36 0.00 0.00 54.97 56.50 1nl9 s GLU 167 Cb 0.00 -2.45 -0.04 0.00 0.26 0.00 0.00 34.13 31.89 1nl9 s GLU 167 CO 0.00 0.12 -0.12 0.95 -0.54 0.00 0.00 175.26 175.67 1nl9 s THR 168 N -1.93 1.25 0.08 -1.70 -4.23 -1.26 -0.47 115.64 107.37 1nl9 s THR 168 Ca 0.56 -1.93 -0.07 0.00 -1.18 0.00 0.00 61.69 59.07 1nl9 s THR 168 Cb -0.13 -1.72 -0.01 0.00 1.34 0.00 0.00 72.50 71.99 1nl9 s THR 168 CO 0.17 -0.61 0.15 -0.13 -0.54 0.00 0.00 174.62 173.66 1nl9 s ARG 169 N -3.31 0.78 -0.25 3.99 0.52 -0.08 -5.00 118.95 115.60 1nl9 s ARG 169 Ca 0.14 -0.98 -0.09 0.00 -0.52 0.00 0.00 55.73 54.28 1nl9 s ARG 169 Cb -0.01 0.31 -0.04 0.00 0.52 0.00 0.00 34.95 35.73 1nl9 s ARG 169 CO 0.02 -0.23 0.12 -2.00 0.02 0.00 0.00 175.30 173.23 1nl9 s GLU 170 N -3.76 3.85 -0.07 3.54 2.12 -1.26 -1.47 118.70 121.65 1nl9 s GLU 170 Ca 0.04 -0.38 0.02 0.00 0.36 0.00 0.00 54.97 55.02 1nl9 s GLU 170 Cb 0.05 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 1nl9 s GLU 170 CO -0.10 -0.10 -0.13 0.42 -0.54 0.00 0.00 175.26 174.81 1nl9 s ILE 171 N 1.44 3.15 -0.22 -3.70 1.09 -0.24 -4.88 121.20 117.85 1nl9 s ILE 171 Ca 0.06 -0.67 -0.09 0.00 -1.10 0.00 0.00 60.65 58.84 1nl9 s ILE 171 Cb -0.15 -2.26 -0.05 0.00 -1.06 0.00 0.00 42.46 38.94 1nl9 s ILE 171 CO 0.06 0.57 0.12 -0.76 -0.10 0.00 0.00 174.94 174.84 1nl9 s LEU 172 N -0.47 4.00 -0.37 2.97 1.43 -0.49 -0.66 118.68 125.09 1nl9 s LEU 172 Ca 0.06 0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.14 1nl9 s LEU 172 Cb -0.12 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1nl9 s LEU 172 CO 0.02 0.11 0.23 -2.28 0.23 0.00 0.00 176.35 174.66 1nl9 s HIS 173 N 0.78 3.23 -0.50 0.29 2.46 0.02 -0.64 115.29 120.92 1nl9 s HIS 173 Ca 0.06 -0.66 -0.14 0.00 0.47 0.00 0.00 55.06 54.79 1nl9 s HIS 173 Cb -0.13 -2.48 0.11 0.00 -0.13 0.00 0.00 32.58 29.96 1nl9 s HIS 173 CO 0.02 -0.55 0.43 -0.06 -2.47 0.00 0.00 174.74 172.11 1nl9 s PHE 174 N 1.63 3.29 -0.41 3.88 0.08 0.85 -0.95 117.98 126.34 1nl9 s PHE 174 Ca 0.04 -1.34 -0.11 0.00 0.12 0.00 0.00 56.93 55.64 1nl9 s PHE 174 Cb -0.18 -3.55 0.06 0.00 -0.57 0.00 0.00 43.02 38.77 1nl9 s PHE 174 CO 0.08 -0.96 0.26 -1.58 -0.10 0.00 0.00 175.22 172.93 1nl9 s HIS 175 N 1.55 3.28 -0.46 0.36 2.46 -0.10 -0.63 115.29 121.75 1nl9 s HIS 175 Ca 0.04 -1.18 -0.28 0.00 0.47 0.00 0.00 55.06 54.10 1nl9 s HIS 175 Cb -0.28 -2.77 0.03 0.00 -0.13 0.00 0.00 32.58 29.43 1nl9 s HIS 175 CO 0.03 -0.76 1.09 -0.47 -2.47 0.00 0.00 174.74 172.17 1nl9 s TYR 176 N 1.52 2.87 -2.81 3.88 6.14 0.53 -0.63 117.35 128.85 1nl9 s TYR 176 Ca 0.03 0.70 0.25 0.00 0.64 0.00 0.00 57.07 58.68 1nl9 s TYR 176 Cb -0.22 -4.28 0.31 0.00 0.42 0.00 0.00 41.96 38.19 1nl9 s TYR 176 CO 0.05 -1.19 1.32 0.25 0.64 0.00 0.00 175.55 176.62 1nl9 n THR 177 N 6.67 0.00 -1.10 4.34 -2.24 -1.11 -3.93 114.28 116.91 1nl9 n THR 177 Ca 0.11 -0.43 0.07 0.00 -2.27 0.00 0.00 64.05 61.53 1nl9 n THR 177 Cb 0.49 1.31 0.21 0.00 -2.10 0.00 0.00 70.33 70.24 1nl9 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1nl9 n THR 178 N 1.01 2.20 -2.02 4.28 -2.24 -1.19 -4.93 114.28 111.39 1nl9 n THR 178 Ca 0.14 -2.16 -0.42 0.00 -2.27 0.00 0.00 64.05 59.34 1nl9 n THR 178 Cb 0.55 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1nl9 n THR 178 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1nl9 s TRP 179 N -2.92 3.13 0.82 4.78 -0.11 -1.26 -4.94 118.94 118.44 1nl9 s TRP 179 Ca 0.39 0.76 -0.14 0.00 1.22 0.00 0.00 56.10 58.33 1nl9 s TRP 179 Cb 0.33 -3.84 0.04 0.00 -1.50 0.00 0.00 33.47 28.51 1nl9 s TRP 179 CO 0.05 -3.03 0.85 -0.35 -4.62 0.00 0.00 176.95 169.85 1nl9 n PRO 180 N 3.90 0.10 -0.17 5.86 -0.04 -1.26 -4.92 135.00 138.46 1nl9 n PRO 180 Ca 0.13 0.10 -0.03 0.00 -0.04 0.00 0.00 63.50 63.66 1nl9 n PRO 180 Cb 0.40 -2.14 0.18 0.00 -0.04 0.00 0.00 33.50 31.90 1nl9 n PRO 180 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1nl9 h ASP 181 N -0.92 0.84 -4.43 3.54 3.32 -1.99 -3.44 116.42 113.34 1nl9 h ASP 181 Ca -0.45 -0.12 -0.32 0.00 0.02 0.00 0.00 57.03 56.15 1nl9 h ASP 181 Cb 1.31 -0.22 -0.19 0.00 0.22 0.00 0.00 39.33 40.46 1nl9 h ASP 181 CO 0.42 0.77 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.61 1nl9 s PHE 182 N -5.38 1.04 0.00 4.55 0.40 -1.26 -4.99 117.98 112.33 1nl9 s PHE 182 Ca -0.10 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.61 1nl9 s PHE 182 Cb 0.16 -0.57 0.00 0.00 0.51 0.00 0.00 43.02 43.12 1nl9 s PHE 182 CO 0.80 -0.00 0.00 0.41 0.70 0.00 0.00 175.22 177.13 1nl9 n GLY 183 N 0.72 1.54 3.33 4.36 0.00 -1.26 -4.86 105.19 109.02 1nl9 n GLY 183 Ca -0.17 -0.60 -0.17 0.00 0.00 0.00 0.00 46.02 45.08 1nl9 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nl9 s VAL 184 N 0.00 1.30 0.29 1.61 -7.23 -1.26 -4.82 120.40 110.30 1nl9 s VAL 184 Ca 0.00 -2.09 -0.30 0.00 -1.81 0.00 0.00 61.98 57.78 1nl9 s VAL 184 Cb 0.00 -2.16 -0.13 0.00 0.56 0.00 0.00 36.38 34.66 1nl9 s VAL 184 CO 0.00 -0.50 1.39 -2.65 -0.31 0.00 0.00 175.10 173.04 1nl9 n PRO 185 N -0.37 2.19 -0.28 4.82 -0.02 -1.26 -4.86 135.00 135.21 1nl9 n PRO 185 Ca -0.07 0.77 0.02 0.00 -2.02 0.00 0.00 63.50 62.20 1nl9 n PRO 185 Cb 0.62 -2.42 0.16 0.00 -0.02 0.00 0.00 33.50 31.84 1nl9 n PRO 185 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1nl9 h GLU 186 N 3.61 0.75 -6.49 -0.52 3.07 -1.99 -3.41 114.58 109.59 1nl9 h GLU 186 Ca -0.46 -0.04 -0.67 0.00 -0.50 0.00 0.00 59.36 57.68 1nl9 h GLU 186 Cb 1.27 -0.17 -0.29 0.00 -0.84 0.00 0.00 28.75 28.72 1nl9 h GLU 186 CO 0.71 0.49 -0.88 0.45 -1.40 0.00 0.00 179.01 178.38 1nl9 s SER 187 N -5.60 2.92 0.00 1.42 0.15 -1.26 -5.02 113.70 106.31 1nl9 s SER 187 Ca -0.12 -0.48 0.30 0.00 0.70 0.00 0.00 55.95 56.35 1nl9 s SER 187 Cb 0.19 -0.31 1.53 0.00 -1.71 0.00 0.00 66.02 65.72 1nl9 s SER 187 CO 0.78 0.28 2.02 -0.81 1.20 0.00 0.00 173.24 176.71 1nl9 n PRO 188 N 2.28 1.26 0.02 5.44 -0.04 -1.26 -4.33 135.00 138.36 1nl9 n PRO 188 Ca -0.16 -0.41 -0.14 0.00 -0.04 0.00 0.00 63.50 62.76 1nl9 n PRO 188 Cb 0.52 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1nl9 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1nl9 h ALA 189 N 4.13 -0.72 -0.67 0.55 0.00 -1.97 0.37 119.26 120.95 1nl9 h ALA 189 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1nl9 h ALA 189 Cb 0.22 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1nl9 h ALA 189 CO 0.00 -0.99 0.32 0.66 0.00 0.00 0.00 179.25 179.24 1nl9 h SER 190 N -0.56 0.86 -0.64 0.00 4.64 -2.00 -0.33 113.55 115.52 1nl9 h SER 190 Ca 0.05 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.24 1nl9 h SER 190 Cb 0.66 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 1nl9 h SER 190 CO -0.39 0.73 0.21 0.15 -0.87 0.00 0.00 176.83 176.66 1nl9 h PHE 191 N 0.95 1.02 -0.33 4.77 3.57 -1.64 -1.04 116.94 124.23 1nl9 h PHE 191 Ca 0.23 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1nl9 h PHE 191 Cb 0.09 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1nl9 h PHE 191 CO 0.01 0.82 0.08 -0.07 -2.23 0.00 0.00 178.31 176.92 1nl9 h LEU 192 N 0.92 0.51 -1.00 0.59 3.38 0.41 -1.38 115.31 118.73 1nl9 h LEU 192 Ca 0.21 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.97 1nl9 h LEU 192 Cb 0.28 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.84 1nl9 h LEU 192 CO -0.01 0.61 0.66 0.78 0.09 0.00 0.00 178.44 180.57 1nl9 h ASN 193 N 0.38 1.11 -0.15 -0.43 2.35 -0.83 -0.33 115.58 117.69 1nl9 h ASN 193 Ca 0.10 -0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1nl9 h ASN 193 Cb 0.30 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1nl9 h ASN 193 CO 0.00 0.77 0.07 0.15 -1.65 0.00 0.00 177.43 176.78 1nl9 h PHE 194 N 1.29 0.14 -0.03 1.19 3.57 -0.87 -0.18 116.94 122.05 1nl9 h PHE 194 Ca 0.39 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.92 1nl9 h PHE 194 Cb -0.05 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1nl9 h PHE 194 CO -0.00 0.08 -0.12 1.25 -2.23 0.00 0.00 178.31 177.29 1nl9 h LEU 195 N 0.16 -0.36 -1.08 0.59 5.85 -0.41 -1.01 115.31 119.04 1nl9 h LEU 195 Ca 0.06 0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1nl9 h LEU 195 Cb 0.01 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.14 1nl9 h LEU 195 CO -0.04 -0.17 0.62 -0.26 -0.34 0.00 0.00 178.44 178.25 1nl9 h PHE 196 N -0.20 1.14 -0.69 1.25 0.05 -0.87 0.23 116.94 117.86 1nl9 h PHE 196 Ca 0.05 0.03 -0.02 0.00 3.82 0.00 0.00 57.97 61.85 1nl9 h PHE 196 Cb 0.27 -0.38 -0.03 0.00 2.00 0.00 0.00 35.95 37.81 1nl9 h PHE 196 CO -0.19 0.63 0.36 -0.22 -0.18 0.00 0.00 178.31 178.70 1nl9 h LYS 197 N 1.15 0.96 -0.11 1.51 1.63 -0.44 0.32 116.57 121.59 1nl9 h LYS 197 Ca 0.39 -0.11 -0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1nl9 h LYS 197 Cb 0.09 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 31.53 1nl9 h LYS 197 CO -0.13 0.73 -0.05 0.28 -3.45 0.00 0.00 179.45 176.82 1nl9 h VAL 198 N 0.97 1.31 -0.15 2.00 2.07 0.43 -3.06 116.25 119.82 1nl9 h VAL 198 Ca 0.24 -1.05 0.05 0.00 0.82 0.00 0.00 66.70 66.76 1nl9 h VAL 198 Cb 0.06 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1nl9 h VAL 198 CO -0.04 0.30 -0.19 0.03 0.02 0.00 0.00 177.57 177.70 1nl9 h ARG 199 N -0.11 -0.22 -1.03 1.57 3.08 0.07 -2.49 114.38 115.25 1nl9 h ARG 199 Ca 0.03 0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.36 1nl9 h ARG 199 Cb 0.50 0.05 -0.12 0.00 0.08 0.00 0.00 29.97 30.48 1nl9 h ARG 199 CO 0.02 -0.15 0.63 0.93 -1.07 0.00 0.00 179.97 180.33 1nl9 h GLU 200 N -0.23 0.46 0.00 0.04 5.08 -0.38 -0.42 114.58 119.14 1nl9 h GLU 200 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nl9 h GLU 200 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1nl9 h GLU 200 CO -0.28 0.31 0.00 0.66 -1.00 0.00 0.00 179.01 178.70 1nl9 h SER 201 N 0.48 0.00 0.00 1.42 4.64 -1.34 -3.46 113.55 115.28 1nl9 h SER 201 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 1nl9 h SER 201 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1nl9 h SER 201 CO -0.42 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 1nl9 n GLY 202 N -0.31 0.77 0.30 -0.77 0.00 -0.17 -4.93 105.19 100.08 1nl9 n GLY 202 Ca -0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 1nl9 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nl9 h SER 203 N 0.00 0.00 -0.46 1.61 0.02 -1.76 -1.25 113.55 111.71 1nl9 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1nl9 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1nl9 h SER 203 CO 0.00 0.03 0.00 0.18 -1.14 0.00 0.00 176.83 175.90 1nl9 n LEU 204 N -3.50 3.45 -4.90 5.07 4.77 -1.26 -4.21 117.00 116.42 1nl9 n LEU 204 Ca -0.02 -1.55 -0.28 0.00 -0.03 0.00 0.00 56.01 54.13 1nl9 n LEU 204 Cb 0.14 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 40.91 1nl9 n LEU 204 CO 0.26 0.77 0.33 -0.44 -1.33 0.00 0.00 177.39 176.98 1nl9 s SER 205 N -1.38 6.38 0.43 -1.43 0.01 -0.47 -4.86 113.70 112.39 1nl9 s SER 205 Ca 0.41 0.83 0.16 0.00 1.31 0.00 0.00 55.95 58.65 1nl9 s SER 205 Cb 0.23 -2.20 1.06 0.00 0.21 0.00 0.00 66.02 65.33 1nl9 s SER 205 CO 0.32 -0.38 1.94 -0.65 0.41 0.00 0.00 173.24 174.88 1nl9 h PRO 206 N 0.98 0.38 0.00 12.44 0.11 -1.92 -2.59 132.00 141.40 1nl9 h PRO 206 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1nl9 h PRO 206 Cb 1.20 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1nl9 h PRO 206 CO 0.63 0.25 0.00 -0.85 -0.21 0.00 0.00 178.00 177.83 1nl9 n GLU 207 N -4.47 0.64 -4.27 1.05 0.00 -1.26 -4.71 120.64 107.61 1nl9 n GLU 207 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 57.16 57.14 1nl9 n GLU 207 Cb 0.49 -1.08 -0.10 0.00 0.00 0.00 0.00 31.44 30.75 1nl9 n GLU 207 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1nl9 s HIS 208 N -2.00 1.35 0.98 -1.84 3.76 -0.98 -5.12 115.29 111.44 1nl9 s HIS 208 Ca 0.05 -1.05 -0.14 0.00 -0.15 0.00 0.00 55.06 53.78 1nl9 s HIS 208 Cb 0.02 -0.77 0.18 0.00 1.11 0.00 0.00 32.58 33.12 1nl9 s HIS 208 CO 0.04 -0.22 1.15 0.20 -0.85 0.00 0.00 174.74 175.06 1nl9 s GLY 209 N -3.23 1.60 0.50 -2.22 0.00 -0.23 -4.90 107.32 98.84 1nl9 s GLY 209 Ca 0.28 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 44.11 1nl9 s GLY 209 CO 0.07 -0.01 1.37 -1.05 0.00 0.00 0.00 173.10 173.49 1nl9 n PRO 210 N -3.99 1.94 -2.32 2.90 -0.02 -1.26 -4.34 135.00 127.91 1nl9 n PRO 210 Ca 0.08 0.70 -0.35 0.00 -2.02 0.00 0.00 63.50 61.92 1nl9 n PRO 210 Cb 0.59 -2.57 -0.01 0.00 -0.02 0.00 0.00 33.50 31.49 1nl9 n PRO 210 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nl9 s VAL 211 N -1.24 3.29 -0.29 -1.45 0.11 -1.26 -4.42 120.40 115.14 1nl9 s VAL 211 Ca 0.66 0.81 -0.11 0.00 -2.93 0.00 0.00 61.98 60.41 1nl9 s VAL 211 Cb -0.44 -3.33 -0.03 0.00 -1.53 0.00 0.00 36.38 31.05 1nl9 s VAL 211 CO 0.54 -0.17 0.18 -0.69 -3.33 0.00 0.00 175.10 171.63 1nl9 s VAL 212 N -1.81 5.10 -0.04 2.04 1.01 -0.79 -0.89 120.40 125.02 1nl9 s VAL 212 Ca 0.72 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.70 1nl9 s VAL 212 Cb -0.22 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 1nl9 s VAL 212 CO 0.25 0.18 -0.11 -0.69 0.00 0.00 0.00 175.10 174.74 1nl9 s VAL 213 N 1.72 3.36 -0.07 2.92 1.01 0.12 0.56 120.40 130.01 1nl9 s VAL 213 Ca 0.06 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 1nl9 s VAL 213 Cb -0.16 -2.37 0.10 0.00 0.00 0.00 0.00 36.38 33.95 1nl9 s VAL 213 CO 0.09 0.54 0.85 -1.38 0.00 0.00 0.00 175.10 175.20 1nl9 s HIS 214 N -0.82 -0.46 0.00 5.22 -3.43 0.33 -1.11 115.29 115.01 1nl9 s HIS 214 Ca 0.13 0.66 0.00 0.00 -0.80 0.00 0.00 55.06 55.05 1nl9 s HIS 214 Cb -0.11 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.51 1nl9 s HIS 214 CO 0.02 -0.51 0.00 0.00 -2.00 0.00 0.00 174.74 172.26 1nl9 n SER 216 N 0.00 1.62 0.05 0.00 2.88 -1.26 -3.18 113.62 113.73 1nl9 n SER 216 Ca 0.00 0.27 0.11 0.00 -1.33 0.00 0.00 58.87 57.92 1nl9 n SER 216 Cb 0.00 -0.65 -0.08 0.00 -0.75 0.00 0.00 64.21 62.74 1nl9 n SER 216 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nl9 n ALA 217 N -4.08 2.63 -2.60 -1.46 0.00 -1.26 -1.42 120.51 112.31 1nl9 n ALA 217 Ca -0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 1nl9 n ALA 217 Cb 0.66 -0.95 0.01 0.00 0.00 0.00 0.00 19.45 19.17 1nl9 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nl9 n GLY 218 N 1.22 0.62 0.00 0.00 0.00 -1.25 -4.03 105.19 101.75 1nl9 n GLY 218 Ca -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1nl9 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nl9 n ILE 219 N -3.10 0.00 0.00 -0.61 -5.35 -1.26 -4.45 119.36 104.58 1nl9 n ILE 219 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1nl9 n ILE 219 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1nl9 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nl9 n GLY 220 N 0.75 1.52 0.36 3.28 0.00 -1.26 -0.51 105.19 109.32 1nl9 n GLY 220 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1nl9 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nl9 h ARG 221 N 0.00 1.21 -0.89 1.61 3.08 -1.96 -0.44 114.38 116.99 1nl9 h ARG 221 Ca 0.00 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.02 1nl9 h ARG 221 Cb 0.00 -0.27 -0.05 0.00 0.08 0.00 0.00 29.97 29.72 1nl9 h ARG 221 CO 0.00 0.80 0.58 0.77 -1.07 0.00 0.00 179.97 181.05 1nl9 h SER 222 N 1.24 0.93 -0.55 7.04 0.02 -1.89 -2.13 113.55 118.21 1nl9 h SER 222 Ca 0.36 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 1nl9 h SER 222 Cb -0.07 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1nl9 h SER 222 CO -0.10 0.62 0.29 1.23 -1.14 0.00 0.00 176.83 177.73 1nl9 h GLY 223 N 1.07 0.82 1.42 -3.77 0.00 -0.82 -2.06 103.07 99.74 1nl9 h GLY 223 Ca 0.37 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 1nl9 h GLY 223 CO -0.12 0.37 0.17 -0.91 0.00 0.00 0.00 176.54 176.04 1nl9 h THR 224 N 0.73 1.20 0.52 4.70 1.35 -0.92 0.25 112.91 120.74 1nl9 h THR 224 Ca 0.19 -0.67 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 1nl9 h THR 224 Cb 0.07 0.64 0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1nl9 h THR 224 CO -0.03 0.26 -0.25 0.15 -0.25 0.00 0.00 175.52 175.40 1nl9 h PHE 225 N 0.73 -0.64 -0.79 4.73 3.57 -1.12 -1.33 116.94 122.08 1nl9 h PHE 225 Ca 0.17 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1nl9 h PHE 225 Cb 0.20 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1nl9 h PHE 225 CO 0.01 -0.33 0.36 0.00 -2.23 0.00 0.00 178.31 176.12 1nl9 h LEU 227 N 1.13 0.68 -0.05 0.00 5.85 -0.96 -1.31 115.31 120.65 1nl9 h LEU 227 Ca 0.27 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1nl9 h LEU 227 Cb 0.15 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1nl9 h LEU 227 CO -0.03 0.69 0.02 0.00 -0.34 0.00 0.00 178.44 178.78 1nl9 h ALA 228 N 1.02 0.06 0.31 1.25 0.00 -1.05 -1.40 119.26 119.45 1nl9 h ALA 228 Ca 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1nl9 h ALA 228 Cb 0.24 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nl9 h ALA 228 CO -0.01 -0.34 -0.25 0.22 0.00 0.00 0.00 179.25 178.87 1nl9 h ASP 229 N -0.09 -0.65 -0.87 0.00 3.58 -1.27 -0.38 116.42 116.74 1nl9 h ASP 229 Ca 0.02 0.05 0.03 0.00 0.42 0.00 0.00 57.03 57.55 1nl9 h ASP 229 Cb 0.18 0.21 -0.05 0.00 1.72 0.00 0.00 39.33 41.39 1nl9 h ASP 229 CO -0.00 -0.38 0.56 0.74 -2.88 0.00 0.00 179.24 177.28 1nl9 h THR 230 N -0.57 1.14 -0.45 2.25 2.02 -1.25 0.67 112.91 116.72 1nl9 h THR 230 Ca -0.02 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1nl9 h THR 230 Cb 0.50 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1nl9 h THR 230 CO -0.01 0.20 0.12 0.00 0.37 0.00 0.00 175.52 176.19 1nl9 h LEU 232 N 0.59 0.40 -0.86 0.00 3.38 -0.56 -1.83 115.31 116.43 1nl9 h LEU 232 Ca 0.14 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1nl9 h LEU 232 Cb 0.30 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1nl9 h LEU 232 CO -0.00 0.46 0.55 0.25 0.09 0.00 0.00 178.44 179.79 1nl9 h LEU 233 N 0.32 1.00 -0.81 1.67 5.85 -0.74 -2.37 115.31 120.24 1nl9 h LEU 233 Ca 0.10 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1nl9 h LEU 233 Cb 0.18 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1nl9 h LEU 233 CO -0.01 0.74 0.44 -0.07 -0.34 0.00 0.00 178.44 179.20 1nl9 h LEU 234 N 1.17 1.02 -2.19 2.25 3.38 -0.74 -1.29 115.31 118.91 1nl9 h LEU 234 Ca 0.31 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1nl9 h LEU 234 Cb -0.11 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 1nl9 h LEU 234 CO -0.06 0.83 -0.06 0.24 0.09 0.00 0.00 178.44 179.47 1nl9 h MET 235 N 1.13 0.00 0.00 1.13 2.86 -0.82 -1.20 114.93 118.04 1nl9 h MET 235 Ca 0.29 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.83 1nl9 h MET 235 Cb 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1nl9 h MET 235 CO -0.05 0.06 -0.45 -0.44 1.06 0.00 0.00 176.91 177.09 1nl9 h ASP 236 N 0.00 0.00 0.05 1.22 3.32 -0.94 -3.30 116.42 116.77 1nl9 h ASP 236 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nl9 h ASP 236 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1nl9 h ASP 236 CO 0.01 0.45 -0.83 0.29 -1.72 0.00 0.00 179.24 177.44 1nl9 n LYS 237 N -3.38 0.26 -3.94 3.56 5.02 -0.50 -4.98 118.16 114.20 1nl9 n LYS 237 Ca 0.01 -0.21 -0.29 0.00 -2.02 0.00 0.00 58.31 55.79 1nl9 n LYS 237 Cb 0.62 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 34.10 1nl9 n LYS 237 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1nl9 s ARG 238 N -2.88 3.39 0.16 1.97 0.52 -0.91 -5.00 118.95 116.21 1nl9 s ARG 238 Ca 0.11 -0.51 -0.09 0.00 -0.52 0.00 0.00 55.73 54.71 1nl9 s ARG 238 Cb 0.17 -2.99 0.02 0.00 0.52 0.00 0.00 34.95 32.66 1nl9 s ARG 238 CO 0.79 0.58 1.53 0.87 0.02 0.00 0.00 175.30 179.09 1nl9 h LYS 239 N 2.79 0.95 -3.68 3.54 1.57 -1.93 -3.35 116.57 116.46 1nl9 h LYS 239 Ca -0.46 -0.44 -0.70 0.00 -1.87 0.00 0.00 60.65 57.18 1nl9 h LYS 239 Cb 1.17 -0.02 -0.35 0.00 0.08 0.00 0.00 32.23 33.12 1nl9 h LYS 239 CO 0.73 1.10 -0.36 0.34 -0.57 0.00 0.00 179.45 180.69 1nl9 s ASP 240 N -6.77 5.30 0.29 0.86 3.68 -1.26 -4.97 116.67 113.80 1nl9 s ASP 240 Ca -0.11 -2.78 0.04 0.00 2.13 0.00 0.00 52.55 51.83 1nl9 s ASP 240 Cb 0.12 -1.87 0.66 0.00 -1.45 0.00 0.00 42.92 40.38 1nl9 s ASP 240 CO 0.87 -0.39 1.80 -0.65 0.13 0.00 0.00 175.17 176.93 1nl9 h PRO 241 N 7.15 0.85 0.00 4.34 0.11 -1.80 -1.95 132.00 140.69 1nl9 h PRO 241 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1nl9 h PRO 241 Cb 0.96 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1nl9 h PRO 241 CO 0.72 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 177.93 1nl9 n SER 242 N -4.69 0.00 0.13 -2.05 3.41 -1.26 -2.85 113.62 106.31 1nl9 n SER 242 Ca 0.21 -0.80 0.12 0.00 -0.26 0.00 0.00 58.87 58.14 1nl9 n SER 242 Cb 0.47 0.00 0.22 0.00 -0.26 0.00 0.00 64.21 64.64 1nl9 n SER 242 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nl9 h SER 243 N 0.00 0.00 -2.17 4.04 4.64 -1.74 -3.31 113.55 115.01 1nl9 h SER 243 Ca 0.00 -0.04 -0.56 0.00 -0.47 0.00 0.00 61.79 60.71 1nl9 h SER 243 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nl9 h SER 243 CO 0.00 0.02 1.38 -0.69 -0.87 0.00 0.00 176.83 176.67 1nl9 s VAL 244 N -3.19 3.03 -0.55 0.95 1.01 -1.13 -4.93 120.40 115.59 1nl9 s VAL 244 Ca 0.07 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 1nl9 s VAL 244 Cb 0.10 -3.03 0.08 0.00 0.00 0.00 0.00 36.38 33.53 1nl9 s VAL 244 CO 0.68 -0.01 0.64 -0.62 0.00 0.00 0.00 175.10 175.78 1nl9 s ASP 245 N 6.61 6.20 0.36 3.32 -1.08 -1.26 -4.76 116.67 126.06 1nl9 s ASP 245 Ca 0.95 -1.22 0.07 0.00 -0.52 0.00 0.00 52.55 51.82 1nl9 s ASP 245 Cb -0.37 -2.28 0.76 0.00 -1.46 0.00 0.00 42.92 39.56 1nl9 s ASP 245 CO 0.38 -0.98 1.93 -0.29 0.52 0.00 0.00 175.17 176.73 1nl9 h ILE 246 N 5.89 0.96 -0.52 4.11 2.10 -1.99 -0.39 117.51 127.68 1nl9 h ILE 246 Ca -0.29 -0.26 -0.02 0.00 1.08 0.00 0.00 64.86 65.38 1nl9 h ILE 246 Cb 1.09 0.15 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 1nl9 h ILE 246 CO 1.03 0.14 0.26 0.11 -1.08 0.00 0.00 178.15 178.60 1nl9 h LYS 247 N 0.75 0.74 -0.68 2.19 1.57 -1.99 0.12 116.57 119.26 1nl9 h LYS 247 Ca 0.36 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 59.02 1nl9 h LYS 247 Cb 0.41 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 1nl9 h LYS 247 CO -0.14 0.60 0.35 -0.22 -0.57 0.00 0.00 179.45 179.48 1nl9 h LYS 248 N 0.69 0.95 -0.37 3.15 3.64 -1.56 -0.79 116.57 122.28 1nl9 h LYS 248 Ca 0.18 -0.11 -0.15 0.00 -1.27 0.00 0.00 60.65 59.30 1nl9 h LYS 248 Cb 0.10 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 1nl9 h LYS 248 CO -0.02 0.71 -0.38 0.28 -2.27 0.00 0.00 179.45 177.77 1nl9 h VAL 249 N 0.95 1.28 -0.28 2.00 2.07 -0.24 -1.98 116.25 120.05 1nl9 h VAL 249 Ca 0.24 -1.55 -0.03 0.00 0.82 0.00 0.00 66.70 66.18 1nl9 h VAL 249 Cb 0.05 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1nl9 h VAL 249 CO -0.04 0.51 0.07 0.25 0.02 0.00 0.00 177.57 178.39 1nl9 h LEU 250 N 0.72 0.42 -1.28 2.57 5.85 -0.32 -1.07 115.31 122.19 1nl9 h LEU 250 Ca 0.06 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.62 1nl9 h LEU 250 Cb 0.95 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1nl9 h LEU 250 CO 0.09 0.54 0.52 -0.07 -0.34 0.00 0.00 178.44 179.18 1nl9 h LEU 251 N 0.28 0.76 -0.37 2.25 3.38 -1.06 0.17 115.31 120.72 1nl9 h LEU 251 Ca 0.09 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.93 1nl9 h LEU 251 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1nl9 h LEU 251 CO 0.00 0.49 -0.29 -0.08 0.09 0.00 0.00 178.44 178.65 1nl9 h GLU 252 N 0.87 0.86 -0.77 1.13 4.57 -1.04 -3.03 114.58 117.16 1nl9 h GLU 252 Ca 0.35 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 58.05 1nl9 h GLU 252 Cb 0.24 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1nl9 h GLU 252 CO -0.12 1.07 0.28 1.98 -1.18 0.00 0.00 179.01 181.04 1nl9 h MET 253 N 0.66 1.16 0.00 1.92 4.05 0.09 -2.21 114.93 120.60 1nl9 h MET 253 Ca 0.07 -0.23 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1nl9 h MET 253 Cb 0.87 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1nl9 h MET 253 CO 0.08 0.96 0.00 0.54 0.23 0.00 0.00 176.91 178.72 1nl9 n ARG 254 N -4.28 0.02 0.26 0.39 1.74 0.48 -1.04 116.66 114.22 1nl9 n ARG 254 Ca 0.07 0.36 0.15 0.00 -0.77 0.00 0.00 57.85 57.66 1nl9 n ARG 254 Cb 0.20 -1.50 0.54 0.00 -1.02 0.00 0.00 32.46 30.68 1nl9 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1nl9 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.39 -3.21 116.57 119.10 1nl9 h LYS 255 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1nl9 h LYS 255 Cb 0.10 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1nl9 h LYS 255 CO 0.00 0.02 -2.14 1.19 -0.57 0.00 0.00 179.45 177.96 1nl9 n PHE 256 N -3.12 0.00 -3.67 -1.35 3.72 -0.21 -4.96 117.46 107.87 1nl9 n PHE 256 Ca 0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.31 1nl9 n PHE 256 Cb 0.37 -0.71 -0.09 0.00 -0.94 0.00 0.00 39.48 38.11 1nl9 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1nl9 s ARG 257 N -2.96 0.58 0.80 -1.08 3.52 -1.18 -4.51 118.95 114.12 1nl9 s ARG 257 Ca -0.09 0.95 -0.11 0.00 -0.13 0.00 0.00 55.73 56.35 1nl9 s ARG 257 Cb 0.10 0.12 0.08 0.00 -1.56 0.00 0.00 34.95 33.69 1nl9 s ARG 257 CO 0.83 -0.14 1.13 0.00 -0.81 0.00 0.00 175.30 176.31 1nl9 s MET 258 N 1.21 1.89 -1.22 5.12 0.23 -1.26 -4.06 119.30 121.20 1nl9 s MET 258 Ca -0.07 1.40 0.00 0.00 -1.03 0.00 0.00 55.69 55.98 1nl9 s MET 258 Cb -0.06 -1.84 0.00 0.00 -1.53 0.00 0.00 34.83 31.40 1nl9 s MET 258 CO -0.12 -1.96 0.00 0.41 -2.03 0.00 0.00 175.02 171.32 1nl9 n GLY 259 N -0.45 1.10 3.66 3.16 0.00 -1.26 -4.88 105.19 106.51 1nl9 n GLY 259 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1nl9 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nl9 n LEU 260 N -1.66 4.02 -1.27 0.99 4.77 -1.26 -3.78 117.00 118.82 1nl9 n LEU 260 Ca -0.12 0.85 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 1nl9 n LEU 260 Cb 0.41 -1.51 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 1nl9 n LEU 260 CO 0.18 0.11 0.00 -0.38 -1.33 0.00 0.00 177.39 175.96 1nl9 n ILE 261 N 5.68 -2.54 0.65 -0.08 2.08 0.33 -4.97 119.36 120.52 1nl9 n ILE 261 Ca 0.21 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.64 1nl9 n ILE 261 Cb 0.40 -3.04 0.07 0.00 -0.75 0.00 0.00 39.64 36.32 1nl9 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1nl9 n GLN 262 N 0.15 0.23 -4.16 0.38 1.13 -1.25 -4.95 117.38 108.90 1nl9 n GLN 262 Ca 0.00 0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.97 1nl9 n GLN 262 Cb 0.00 -1.59 -0.10 0.00 0.11 0.00 0.00 30.24 28.66 1nl9 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1nl9 s THR 263 N -3.15 0.35 0.45 5.09 -4.23 -1.26 -5.01 115.64 107.87 1nl9 s THR 263 Ca 0.05 -1.91 0.14 0.00 -1.18 0.00 0.00 61.69 58.79 1nl9 s THR 263 Cb 0.15 -1.92 0.19 0.00 1.34 0.00 0.00 72.50 72.26 1nl9 s THR 263 CO 0.78 -0.62 2.00 0.00 -0.54 0.00 0.00 174.62 176.24 1nl9 h ALA 264 N 2.89 1.71 -0.17 3.99 0.00 -1.94 -1.81 119.26 123.92 1nl9 h ALA 264 Ca -0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1nl9 h ALA 264 Cb 1.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1nl9 h ALA 264 CO 0.62 0.22 -0.00 -0.44 0.00 0.00 0.00 179.25 179.65 1nl9 h ASP 265 N 0.05 0.30 -0.04 0.00 5.19 -1.95 0.15 116.42 120.13 1nl9 h ASP 265 Ca 0.01 -0.32 -0.06 0.00 -0.62 0.00 0.00 57.03 56.05 1nl9 h ASP 265 Cb 0.28 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1nl9 h ASP 265 CO 0.02 0.54 -0.12 1.56 -3.12 0.00 0.00 179.24 178.12 1nl9 h GLN 266 N 0.05 0.33 -0.20 3.56 4.20 -1.85 0.31 115.11 121.50 1nl9 h GLN 266 Ca 0.05 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1nl9 h GLN 266 Cb 0.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1nl9 h GLN 266 CO 0.01 0.46 -0.05 1.25 -0.67 0.00 0.00 178.83 179.83 1nl9 h LEU 267 N 0.31 0.40 -0.19 1.46 5.85 -1.09 -0.28 115.31 121.77 1nl9 h LEU 267 Ca 0.06 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.40 1nl9 h LEU 267 Cb 0.41 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1nl9 h LEU 267 CO 0.02 0.68 0.07 -0.09 -0.34 0.00 0.00 178.44 178.78 1nl9 h ARG 268 N 0.12 0.29 -0.96 1.25 2.43 -0.52 -2.16 114.38 114.81 1nl9 h ARG 268 Ca 0.05 -0.06 0.12 0.00 -0.81 0.00 0.00 59.98 59.29 1nl9 h ARG 268 Cb 0.51 -0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 29.93 1nl9 h ARG 268 CO 0.02 0.37 0.61 0.35 -1.51 0.00 0.00 179.97 179.82 1nl9 h PHE 269 N 0.14 1.05 -0.12 2.20 3.57 -0.32 -0.70 116.94 122.76 1nl9 h PHE 269 Ca 0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.60 1nl9 h PHE 269 Cb 0.20 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1nl9 h PHE 269 CO -0.01 0.42 0.07 0.77 -2.23 0.00 0.00 178.31 177.33 1nl9 h SER 270 N 0.92 0.10 -0.34 0.41 0.02 -0.48 0.13 113.55 114.31 1nl9 h SER 270 Ca 0.47 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.48 1nl9 h SER 270 Cb 0.52 -0.02 -0.05 0.00 0.14 0.00 0.00 62.40 63.00 1nl9 h SER 270 CO -0.24 0.08 0.07 1.88 -1.14 0.00 0.00 176.83 177.48 1nl9 h TYR 271 N 0.14 0.11 -0.02 3.45 -1.99 -0.62 -1.45 116.97 116.59 1nl9 h TYR 271 Ca 0.05 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.83 1nl9 h TYR 271 Cb -0.00 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.69 1nl9 h TYR 271 CO -0.08 0.02 -0.20 -0.07 -0.00 0.00 0.00 178.16 177.83 1nl9 h LEU 272 N 0.19 -0.59 -0.25 3.88 3.38 -0.67 0.29 115.31 121.53 1nl9 h LEU 272 Ca 0.16 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.28 1nl9 h LEU 272 Cb 0.18 0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1nl9 h LEU 272 CO -0.21 -0.26 -0.14 0.00 0.09 0.00 0.00 178.44 177.91 1nl9 h ALA 273 N 0.60 0.05 0.89 1.53 0.00 -0.35 0.70 119.26 122.67 1nl9 h ALA 273 Ca 0.06 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1nl9 h ALA 273 Cb 0.40 0.33 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nl9 h ALA 273 CO -0.20 -0.55 -0.46 0.28 0.00 0.00 0.00 179.25 178.32 1nl9 h VAL 274 N -0.12 0.00 -0.75 0.00 2.07 -0.97 0.42 116.25 116.91 1nl9 h VAL 274 Ca 0.14 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.83 1nl9 h VAL 274 Cb 0.33 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.97 1nl9 h VAL 274 CO -0.33 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.75 1nl9 h ILE 275 N -1.23 0.41 -0.15 4.57 2.04 -0.79 -0.12 117.51 122.24 1nl9 h ILE 275 Ca -0.12 -0.06 -0.12 0.00 1.00 0.00 0.00 64.86 65.56 1nl9 h ILE 275 Cb 0.95 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 1nl9 h ILE 275 CO 0.18 0.03 -0.36 -0.08 0.00 0.00 0.00 178.15 177.92 1nl9 h GLU 276 N 0.17 0.52 -0.94 2.37 4.57 -0.75 -3.11 114.58 117.41 1nl9 h GLU 276 Ca 0.42 -0.35 0.10 0.00 -1.18 0.00 0.00 59.36 58.35 1nl9 h GLU 276 Cb 0.75 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 29.32 1nl9 h GLU 276 CO -0.60 0.96 0.60 0.78 -1.18 0.00 0.00 179.01 179.58 1nl9 h GLY 277 N 0.15 1.40 0.95 1.92 0.00 0.10 -1.68 103.07 105.92 1nl9 h GLY 277 Ca -0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 1nl9 h GLY 277 CO 0.08 0.22 0.19 0.00 0.00 0.00 0.00 176.54 177.02 1nl9 h ALA 278 N 1.53 0.54 -0.26 3.60 0.00 -1.06 -1.83 119.26 121.79 1nl9 h ALA 278 Ca 0.43 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1nl9 h ALA 278 Cb 0.38 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1nl9 h ALA 278 CO -0.19 0.13 0.16 0.87 0.00 0.00 0.00 179.25 180.21 1nl9 h LYS 279 N 0.54 0.35 -0.78 0.00 1.57 -1.28 -2.86 116.57 114.10 1nl9 h LYS 279 Ca 0.14 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1nl9 h LYS 279 Cb 0.15 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 1nl9 h LYS 279 CO -0.01 0.27 0.51 0.35 -0.57 0.00 0.00 179.45 180.00 1nl9 h PHE 280 N 0.33 0.97 -0.94 -1.35 3.04 -1.17 0.21 116.94 118.03 1nl9 h PHE 280 Ca 0.09 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.11 1nl9 h PHE 280 Cb 0.01 -0.33 -0.06 0.00 2.56 0.00 0.00 35.95 38.14 1nl9 h PHE 280 CO -0.05 0.60 0.61 0.82 -2.02 0.00 0.00 178.31 178.27 1nl9 h ILE 281 N 1.03 1.14 -0.01 1.41 2.04 -1.11 -2.52 117.51 119.49 1nl9 h ILE 281 Ca 0.29 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1nl9 h ILE 281 Cb -0.09 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.88 1nl9 h ILE 281 CO -0.08 0.21 -0.47 1.15 0.00 0.00 0.00 178.15 178.97 1nl9 n MET 282 N -4.45 0.99 -1.62 2.37 0.00 -1.04 -5.00 117.12 108.38 1nl9 n MET 282 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 57.70 57.06 1nl9 n MET 282 Cb 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.86 1nl9 n MET 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nl9 n GLY 283 N 1.41 0.49 0.00 3.17 0.00 0.51 -5.10 105.19 105.67 1nl9 n GLY 283 Ca 0.09 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1nl9 n GLY 283 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54