#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iqc n ASN 2 N 0.00 0.00 -3.58 0.00 5.15 -1.25 -4.57 115.26 111.01 1iqc n ASN 2 Ca 0.00 0.00 -0.49 0.00 -0.60 0.00 0.00 54.58 53.49 1iqc n ASN 2 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 1iqc n ASN 2 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1iqc n GLU 3 N 0.00 0.00 -1.94 1.20 4.07 -1.26 -4.84 120.64 117.87 1iqc n GLU 3 Ca 0.00 0.00 -0.37 0.00 -0.06 0.00 0.00 57.16 56.73 1iqc n GLU 3 Cb 0.00 -1.26 0.03 0.00 -0.06 0.00 0.00 31.44 30.15 1iqc n GLU 3 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1iqc s PRO 4 N 5.24 3.14 0.27 5.31 0.04 -1.26 0.06 135.00 147.80 1iqc s PRO 4 Ca 1.02 2.00 -0.30 0.00 0.04 0.00 0.00 61.00 63.76 1iqc s PRO 4 Cb -1.24 -2.14 -0.11 0.00 0.04 0.00 0.00 34.50 31.05 1iqc s PRO 4 CO 0.54 -1.12 1.52 0.42 0.04 0.00 0.00 177.00 178.40 1iqc s ILE 5 N -1.45 2.37 0.03 0.56 1.09 -1.25 -3.65 121.20 118.90 1iqc s ILE 5 Ca 0.73 0.31 0.01 0.00 -1.10 0.00 0.00 60.65 60.61 1iqc s ILE 5 Cb -0.35 -3.20 -0.02 0.00 -1.06 0.00 0.00 42.46 37.83 1iqc s ILE 5 CO 0.40 0.05 -0.06 -1.10 -0.10 0.00 0.00 174.94 174.13 1iqc s GLN 6 N -0.39 0.42 0.14 2.79 -0.21 -1.22 -4.88 119.66 116.30 1iqc s GLN 6 Ca 0.62 -0.61 -0.34 0.00 0.02 0.00 0.00 55.36 55.04 1iqc s GLN 6 Cb -0.45 -0.16 -0.16 0.00 1.00 0.00 0.00 33.01 33.24 1iqc s GLN 6 CO 0.45 0.02 1.17 -2.30 -2.12 0.00 0.00 175.29 172.51 1iqc n PRO 7 N 1.75 1.01 -2.48 2.91 -0.02 -1.26 -4.09 135.00 132.82 1iqc n PRO 7 Ca -0.22 0.36 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 1iqc n PRO 7 Cb 0.55 -1.88 -0.02 0.00 -0.02 0.00 0.00 33.50 32.14 1iqc n PRO 7 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1iqc s ILE 8 N -0.04 4.29 0.45 4.25 1.01 -1.26 -4.96 121.20 124.93 1iqc s ILE 8 Ca 0.77 1.49 -0.21 0.00 0.00 0.00 0.00 60.65 62.70 1iqc s ILE 8 Cb -0.92 -4.18 -0.09 0.00 0.01 0.00 0.00 42.46 37.28 1iqc s ILE 8 CO 0.51 -0.37 1.01 -0.54 0.00 0.00 0.00 174.94 175.55 1iqc s LYS 9 N 3.83 4.04 0.49 2.79 1.02 -1.26 -4.30 119.74 126.35 1iqc s LYS 9 Ca 0.53 1.30 -0.21 0.00 0.02 0.00 0.00 55.97 57.61 1iqc s LYS 9 Cb -0.17 -2.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.85 1iqc s LYS 9 CO 0.18 -0.22 1.13 0.00 -0.92 0.00 0.00 175.35 175.52 1iqc s ALA 10 N -1.98 2.87 0.16 5.17 0.00 -1.26 -4.80 121.76 121.92 1iqc s ALA 10 Ca 0.63 0.84 0.10 0.00 0.00 0.00 0.00 51.96 53.54 1iqc s ALA 10 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 1iqc s ALA 10 CO 0.19 -0.63 -0.23 0.08 0.00 0.00 0.00 175.76 175.16 1iqc s VAL 11 N -1.68 2.17 -0.10 0.00 1.01 -1.26 -5.13 120.40 115.41 1iqc s VAL 11 Ca 0.67 -1.90 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1iqc s VAL 11 Cb -0.25 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1iqc s VAL 11 CO 0.30 -0.10 -0.07 0.42 0.00 0.00 0.00 175.10 175.65 1iqc s THR 12 N -1.54 0.97 0.31 3.92 -4.23 -1.26 -4.98 115.64 108.84 1iqc s THR 12 Ca 0.17 -0.27 -0.28 0.00 -1.18 0.00 0.00 61.69 60.13 1iqc s THR 12 Cb -0.08 -0.99 -0.13 0.00 1.34 0.00 0.00 72.50 72.63 1iqc s THR 12 CO 0.08 0.36 1.07 -0.81 -0.54 0.00 0.00 174.62 174.77 1iqc n PRO 13 N 4.84 1.53 0.22 3.99 -0.04 -1.26 -4.83 135.00 139.44 1iqc n PRO 13 Ca -0.13 0.54 0.15 0.00 -0.04 0.00 0.00 63.50 64.02 1iqc n PRO 13 Cb 0.50 -1.96 0.69 0.00 -0.04 0.00 0.00 33.50 32.69 1iqc n PRO 13 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1iqc h GLU 14 N 2.08 0.00 -2.11 0.54 5.08 -2.00 -3.36 114.58 114.82 1iqc h GLU 14 Ca -0.41 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.64 1iqc h GLU 14 Cb 1.33 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.25 1iqc h GLU 14 CO 0.61 0.00 -0.62 1.21 -1.00 0.00 0.00 179.01 179.20 1iqc s ASN 15 N -4.83 1.52 0.23 1.42 3.04 -1.26 -5.03 114.94 110.03 1iqc s ASN 15 Ca 0.01 -0.69 -0.06 0.00 0.04 0.00 0.00 52.86 52.15 1iqc s ASN 15 Cb 0.09 0.58 0.35 0.00 -1.54 0.00 0.00 41.25 40.73 1iqc s ASN 15 CO 0.41 -0.38 1.79 0.00 -3.04 0.00 0.00 177.10 175.88 1iqc h ALA 16 N 8.25 1.05 -0.32 1.71 0.00 -1.98 -0.93 119.26 127.04 1iqc h ALA 16 Ca -0.13 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1iqc h ALA 16 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1iqc h ALA 16 CO 0.33 0.01 -0.20 -0.44 0.00 0.00 0.00 179.25 178.95 1iqc h ASP 17 N 0.68 0.59 -0.45 0.00 3.32 -1.96 -0.36 116.42 118.24 1iqc h ASP 17 Ca 0.36 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 1iqc h ASP 17 Cb 0.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 1iqc h ASP 17 CO -0.25 0.80 -0.09 -0.03 -1.72 0.00 0.00 179.24 177.95 1iqc h MET 18 N 0.53 0.91 -0.44 3.56 4.05 -1.77 -1.33 114.93 120.45 1iqc h MET 18 Ca 0.08 -0.31 -0.12 0.00 -0.28 0.00 0.00 59.70 59.08 1iqc h MET 18 Cb 0.64 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1iqc h MET 18 CO 0.05 0.96 -0.20 0.00 0.23 0.00 0.00 176.91 177.95 1iqc h ALA 19 N 1.07 0.82 -0.15 0.39 0.00 -0.77 0.56 119.26 121.18 1iqc h ALA 19 Ca 0.14 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 1iqc h ALA 19 Cb 0.61 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1iqc h ALA 19 CO 0.04 0.65 -0.47 1.49 0.00 0.00 0.00 179.25 180.96 1iqc h GLU 20 N 0.76 0.37 -0.21 0.00 4.81 -0.83 -1.54 114.58 117.94 1iqc h GLU 20 Ca 0.11 -0.20 -0.20 0.00 -0.13 0.00 0.00 59.36 58.94 1iqc h GLU 20 Cb 0.73 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1iqc h GLU 20 CO 0.06 0.76 -0.65 1.25 -0.73 0.00 0.00 179.01 179.70 1iqc h LEU 21 N 0.30 0.93 -0.28 1.64 5.85 -1.05 -2.99 115.31 119.71 1iqc h LEU 21 Ca 0.02 -0.59 0.01 0.00 0.84 0.00 0.00 57.88 58.16 1iqc h LEU 21 Cb 0.94 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1iqc h LEU 21 CO 0.08 1.35 0.17 1.23 -0.34 0.00 0.00 178.44 180.93 1iqc h GLY 22 N 0.55 0.39 1.01 3.75 0.00 -0.66 -2.01 103.07 106.10 1iqc h GLY 22 Ca -0.02 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1iqc h GLY 22 CO 0.14 0.12 0.53 0.07 0.00 0.00 0.00 176.54 177.40 1iqc h LYS 23 N 0.35 0.90 0.11 4.80 2.10 -1.31 0.62 116.57 124.15 1iqc h LYS 23 Ca 0.11 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.70 1iqc h LYS 23 Cb -0.01 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 31.11 1iqc h LYS 23 CO -0.04 0.60 -0.05 0.52 -2.00 0.00 0.00 179.45 178.47 1iqc h MET 24 N 0.93 -0.15 0.00 0.07 2.86 -1.29 -2.30 114.93 115.05 1iqc h MET 24 Ca 0.34 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.96 1iqc h MET 24 Cb 0.15 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 1iqc h MET 24 CO -0.11 0.04 -0.11 -0.07 1.06 0.00 0.00 176.91 177.72 1iqc h LEU 25 N -0.31 0.00 -1.03 1.22 -0.00 -0.74 -1.46 115.31 112.99 1iqc h LEU 25 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.77 1iqc h LEU 25 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.90 1iqc h LEU 25 CO 0.03 0.11 -0.38 0.15 -0.00 0.00 0.00 178.44 178.34 1iqc h PHE 26 N 0.00 0.23 -0.53 1.13 3.57 -0.47 -2.93 116.94 117.94 1iqc h PHE 26 Ca -0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1iqc h PHE 26 Cb 0.22 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1iqc h PHE 26 CO 0.00 0.56 0.00 1.19 -2.23 0.00 0.00 178.31 177.83 1iqc n PHE 27 N -4.06 0.69 -3.04 0.41 3.72 -0.70 -2.31 117.46 112.18 1iqc n PHE 27 Ca -0.01 -0.41 -0.43 0.00 -0.05 0.00 0.00 57.45 56.55 1iqc n PHE 27 Cb 0.45 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.92 1iqc n PHE 27 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1iqc s ASP 28 N -1.13 6.30 0.00 4.37 -1.08 -0.63 -4.90 116.67 119.59 1iqc s ASP 28 Ca 0.39 -0.53 0.18 0.00 -0.52 0.00 0.00 52.55 52.07 1iqc s ASP 28 Cb 0.21 -2.35 1.02 0.00 -1.46 0.00 0.00 42.92 40.35 1iqc s ASP 28 CO 0.28 -0.95 1.48 -0.81 0.52 0.00 0.00 175.17 175.69 1iqc n PRO 29 N 6.58 0.49 0.04 4.34 -0.04 -1.26 -3.03 135.00 142.11 1iqc n PRO 29 Ca -0.02 0.03 0.13 0.00 -0.04 0.00 0.00 63.50 63.60 1iqc n PRO 29 Cb 0.47 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.85 1iqc n PRO 29 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iqc n ARG 30 N -1.07 0.13 0.27 0.54 1.74 -1.26 -3.09 116.66 113.92 1iqc n ARG 30 Ca 0.12 0.08 0.17 0.00 -0.77 0.00 0.00 57.85 57.45 1iqc n ARG 30 Cb 0.08 -1.62 0.65 0.00 -1.02 0.00 0.00 32.46 30.55 1iqc n ARG 30 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1iqc h LEU 31 N 0.00 0.00-10.35 0.55 4.07 -1.80 -3.44 115.31 104.35 1iqc h LEU 31 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 1iqc h LEU 31 Cb 0.61 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.40 1iqc h LEU 31 CO 0.00 0.01 0.18 -0.94 -1.08 0.00 0.00 178.44 176.60 1iqc s SER 32 N -5.73 6.06 0.09 -0.43 1.04 -1.18 -4.65 113.70 108.91 1iqc s SER 32 Ca 0.01 0.95 -0.19 0.00 0.48 0.00 0.00 55.95 57.20 1iqc s SER 32 Cb 0.09 -2.13 -0.07 0.00 0.10 0.00 0.00 66.02 64.00 1iqc s SER 32 CO 0.55 -0.76 1.58 0.50 0.98 0.00 0.00 173.24 176.09 1iqc h LYS 33 N 0.02 0.40 0.00 4.02 3.64 -1.34 -2.89 116.57 120.42 1iqc h LYS 33 Ca -0.46 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 1iqc h LYS 33 Cb 1.22 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1iqc h LYS 33 CO 0.61 0.51 0.00 -1.13 -2.27 0.00 0.00 179.45 177.17 1iqc n SER 34 N -4.71 0.21 -1.30 4.20 3.41 -1.25 -1.71 113.62 112.46 1iqc n SER 34 Ca -0.03 0.53 -0.15 0.00 -0.26 0.00 0.00 58.87 58.95 1iqc n SER 34 Cb 0.18 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.50 1iqc n SER 34 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iqc n GLY 35 N 1.02 1.21 0.00 5.00 0.00 -1.09 -4.26 105.19 107.07 1iqc n GLY 35 Ca 0.06 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 45.80 1iqc n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1iqc n PHE 36 N -2.84 0.00 -4.38 1.61 7.35 -1.18 -4.53 117.46 113.49 1iqc n PHE 36 Ca -0.16 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.19 1iqc n PHE 36 Cb 0.53 -0.09 -0.11 0.00 0.35 0.00 0.00 39.48 40.17 1iqc n PHE 36 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 1iqc s ILE 37 N -2.17 4.04 0.29 -2.13 1.09 -1.26 -4.94 121.20 116.13 1iqc s ILE 37 Ca -0.01 -0.32 0.02 0.00 -1.10 0.00 0.00 60.65 59.24 1iqc s ILE 37 Cb 0.02 -2.75 -0.05 0.00 -1.06 0.00 0.00 42.46 38.61 1iqc s ILE 37 CO 0.12 0.52 0.09 -0.94 -0.10 0.00 0.00 174.94 174.63 1iqc s SER 38 N -0.00 1.72 0.22 3.58 1.04 -1.26 -3.86 113.70 115.13 1iqc s SER 38 Ca 0.02 -1.41 -0.08 0.00 0.48 0.00 0.00 55.95 54.96 1iqc s SER 38 Cb -0.13 0.11 0.31 0.00 0.10 0.00 0.00 66.02 66.41 1iqc s SER 38 CO 0.02 -0.71 1.76 0.00 0.98 0.00 0.00 173.24 175.30 1iqc h ASN 40 N 0.51 0.00 -0.76 0.00 -0.73 -1.66 0.28 115.58 113.21 1iqc h ASN 40 Ca 0.33 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.45 1iqc h ASN 40 Cb 0.38 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.93 1iqc h ASN 40 CO -0.29 0.00 0.30 0.28 -0.37 0.00 0.00 177.43 177.35 1iqc h SER 41 N 0.00 1.06 0.00 1.15 0.02 -1.03 -1.40 113.55 113.35 1iqc h SER 41 Ca 0.00 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1iqc h SER 41 Cb 0.14 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1iqc h SER 41 CO 0.00 0.95 -0.90 0.00 -1.14 0.00 0.00 176.83 175.74 1iqc n HIS 43 N -1.49 1.93 -1.80 0.00 8.25 0.05 0.02 115.22 122.19 1iqc n HIS 43 Ca 0.01 -3.89 -0.43 0.00 -0.26 0.00 0.00 57.72 53.15 1iqc n HIS 43 Cb 0.25 -0.46 -0.03 0.00 1.12 0.00 0.00 29.99 30.87 1iqc n HIS 43 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1iqc s ASN 44 N -2.37 5.68 0.00 0.41 3.84 -0.54 -4.22 114.94 117.75 1iqc s ASN 44 Ca 0.41 1.62 0.17 0.00 0.21 0.00 0.00 52.86 55.27 1iqc s ASN 44 Cb 0.23 -2.52 0.86 0.00 -0.55 0.00 0.00 41.25 39.28 1iqc s ASN 44 CO -0.08 -1.82 1.52 0.18 -2.79 0.00 0.00 177.10 174.11 1iqc n LEU 45 N 10.95 0.00 0.03 3.21 4.77 -1.26 -0.14 117.00 134.55 1iqc n LEU 45 Ca 0.26 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1iqc n LEU 45 Cb 0.46 -0.31 0.01 0.00 -2.33 0.00 0.00 43.42 41.25 1iqc n LEU 45 CO 0.67 -0.13 -0.05 -1.20 -1.33 0.00 0.00 177.39 175.35 1iqc n SER 46 N -1.31 0.60 -0.00 -1.43 7.64 -1.26 -4.34 113.62 113.51 1iqc n SER 46 Ca 0.08 -0.15 0.05 0.00 1.01 0.00 0.00 58.87 59.86 1iqc n SER 46 Cb 0.15 0.84 -0.07 0.00 -1.01 0.00 0.00 64.21 64.11 1iqc n SER 46 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1iqc n MET 47 N -2.04 2.15 0.00 1.43 2.81 -0.64 -5.00 117.12 115.84 1iqc n MET 47 Ca 0.01 -0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1iqc n MET 47 Cb 0.45 -1.12 0.00 0.00 -0.71 0.00 0.00 33.22 31.85 1iqc n MET 47 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1iqc n GLY 48 N 1.51 0.61 0.56 3.03 0.00 -0.71 -4.74 105.19 105.46 1iqc n GLY 48 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1iqc n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqc n GLY 49 N 0.00 0.81 2.92 -0.02 0.00 0.80 -4.66 105.19 105.03 1iqc n GLY 49 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1iqc n GLY 49 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1iqc n THR 50 N -2.18 0.00 1.14 2.61 -2.24 -1.25 -3.39 114.28 108.96 1iqc n THR 50 Ca 0.00 -2.17 0.12 0.00 -2.27 0.00 0.00 64.05 59.73 1iqc n THR 50 Cb 0.00 0.98 0.19 0.00 -2.10 0.00 0.00 70.33 69.41 1iqc n THR 50 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1iqc n ASP 51 N -1.74 2.04 -3.84 3.42 5.68 0.10 -2.43 116.55 119.78 1iqc n ASP 51 Ca 0.03 -1.54 -0.30 0.00 -0.50 0.00 0.00 54.79 52.48 1iqc n ASP 51 Cb 0.55 0.18 0.01 0.00 -1.14 0.00 0.00 41.12 40.72 1iqc n ASP 51 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1iqc n ASN 52 N 0.31 -4.43 -4.23 -1.12 4.13 -1.26 -4.98 115.26 103.68 1iqc n ASN 52 Ca 0.13 -0.73 -0.13 0.00 1.68 0.00 0.00 54.58 55.53 1iqc n ASN 52 Cb 0.47 -3.57 -0.10 0.00 -1.54 0.00 0.00 39.78 35.04 1iqc n ASN 52 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1iqc s ILE 53 N -3.22 0.46 0.12 2.41 -4.36 -1.26 -4.54 121.20 110.81 1iqc s ILE 53 Ca 0.62 -1.97 -0.31 0.00 -0.26 0.00 0.00 60.65 58.74 1iqc s ILE 53 Cb -0.32 -2.21 -0.09 0.00 1.25 0.00 0.00 42.46 41.09 1iqc s ILE 53 CO 0.77 -0.36 1.58 0.71 0.24 0.00 0.00 174.94 177.87 1iqc h THR 54 N 2.68 0.10 -3.95 8.37 1.35 -1.90 -3.43 112.91 116.14 1iqc h THR 54 Ca -0.36 0.00 -0.28 0.00 -0.55 0.00 0.00 66.41 65.22 1iqc h THR 54 Cb 1.21 0.10 -0.23 0.00 -1.73 0.00 0.00 68.15 67.50 1iqc h THR 54 CO 0.61 0.00 -0.74 0.42 -0.25 0.00 0.00 175.52 175.56 1iqc s THR 55 N -5.85 0.47 0.36 6.82 -4.23 -1.26 -3.44 115.64 108.50 1iqc s THR 55 Ca -0.16 -0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 59.25 1iqc s THR 55 Cb 0.08 -0.50 -0.11 0.00 1.34 0.00 0.00 72.50 73.31 1iqc s THR 55 CO 0.63 -0.25 1.51 -0.44 -0.54 0.00 0.00 174.62 175.52 1iqc s SER 56 N -1.15 6.36 -0.17 3.99 0.01 -1.25 -4.42 113.70 117.07 1iqc s SER 56 Ca -0.07 3.02 -0.24 0.00 1.31 0.00 0.00 55.95 59.97 1iqc s SER 56 Cb -0.08 -2.66 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 1iqc s SER 56 CO 0.00 -0.88 0.77 -0.63 0.41 0.00 0.00 173.24 172.92 1iqc s ILE 57 N -0.89 4.93 0.02 1.44 1.01 -1.26 0.01 121.20 126.45 1iqc s ILE 57 Ca 0.55 1.51 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1iqc s ILE 57 Cb -0.47 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1iqc s ILE 57 CO 0.60 0.06 0.01 0.61 0.00 0.00 0.00 174.94 176.22 1iqc n GLY 58 N 3.51 2.92 3.58 6.18 0.00 -0.20 -4.87 105.19 116.31 1iqc n GLY 58 Ca 0.03 -2.17 -0.48 0.00 0.00 0.00 0.00 46.02 43.40 1iqc n GLY 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1iqc n HIS 59 N -0.60 1.26 -1.12 1.61 -0.00 -0.74 0.19 115.22 115.82 1iqc n HIS 59 Ca -0.00 0.69 -0.04 0.00 0.46 0.00 0.00 57.72 58.83 1iqc n HIS 59 Cb 0.02 -2.27 -0.02 0.00 -0.12 0.00 0.00 29.99 27.60 1iqc n HIS 59 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1iqc n LYS 60 N 1.54 -1.09 -3.12 1.57 4.76 -1.26 -2.87 118.16 117.68 1iqc n LYS 60 Ca 0.14 0.51 -0.14 0.00 -2.87 0.00 0.00 58.31 55.95 1iqc n LYS 60 Cb 0.26 -4.45 0.05 0.00 -1.84 0.00 0.00 35.03 29.05 1iqc n LYS 60 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 1iqc n TRP 61 N -2.48 -1.64 -2.40 2.13 -0.00 0.13 -4.99 117.44 108.20 1iqc n TRP 61 Ca -0.04 0.58 -0.41 0.00 -0.00 0.00 0.00 57.50 57.63 1iqc n TRP 61 Cb 0.34 -3.31 -0.04 0.00 -0.00 0.00 0.00 31.31 28.30 1iqc n TRP 61 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1iqc s GLN 62 N -5.73 4.54 -0.39 5.87 -0.21 -1.11 -4.72 119.66 117.90 1iqc s GLN 62 Ca 0.33 1.87 -0.29 0.00 0.02 0.00 0.00 55.36 57.29 1iqc s GLN 62 Cb -0.15 -3.21 0.02 0.00 1.00 0.00 0.00 33.01 30.67 1iqc s GLN 62 CO 0.41 0.02 1.13 -1.14 -2.12 0.00 0.00 175.29 173.59 1iqc s GLN 63 N -0.79 3.89 1.00 2.91 0.74 -1.26 -1.03 119.66 125.13 1iqc s GLN 63 Ca 0.49 0.85 -0.13 0.00 0.05 0.00 0.00 55.36 56.63 1iqc s GLN 63 Cb -0.33 -3.83 0.13 0.00 1.10 0.00 0.00 33.01 30.09 1iqc s GLN 63 CO 0.39 -1.15 0.73 0.41 -0.55 0.00 0.00 175.29 175.13 1iqc n GLY 64 N 4.37 -1.49 0.02 2.59 0.00 0.10 -4.96 105.19 105.82 1iqc n GLY 64 Ca 0.12 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.43 1iqc n GLY 64 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1iqc n PRO 65 N -3.29 0.17 -3.64 1.61 -0.04 -1.26 -4.69 135.00 123.85 1iqc n PRO 65 Ca 0.07 -0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 1iqc n PRO 65 Cb 0.54 -1.55 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 1iqc n PRO 65 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1iqc s ILE 66 N -3.11 0.07 0.13 0.52 2.07 -1.26 -4.95 121.20 114.65 1iqc s ILE 66 Ca 0.06 -0.56 -0.31 0.00 -1.41 0.00 0.00 60.65 58.44 1iqc s ILE 66 Cb 0.15 -1.12 -0.07 0.00 0.13 0.00 0.00 42.46 41.55 1iqc s ILE 66 CO 0.79 -0.31 1.29 0.21 -1.91 0.00 0.00 174.94 175.01 1iqc s ASN 67 N -2.62 6.95 -0.00 4.50 3.84 0.08 -3.80 114.94 123.90 1iqc s ASN 67 Ca 0.01 2.24 -0.30 0.00 0.21 0.00 0.00 52.86 55.02 1iqc s ASN 67 Cb 0.01 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1iqc s ASN 67 CO -0.10 -0.53 1.15 0.00 -2.79 0.00 0.00 177.10 174.83 1iqc s ALA 68 N 0.71 3.38 0.45 1.71 0.00 -1.26 -4.92 121.76 121.83 1iqc s ALA 68 Ca 0.59 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 53.11 1iqc s ALA 68 Cb -0.34 -3.45 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 1iqc s ALA 68 CO 0.32 -0.52 0.85 -1.25 0.00 0.00 0.00 175.76 175.17 1iqc s PRO 69 N 1.50 3.83 0.34 0.00 0.04 -1.26 -4.71 135.00 134.73 1iqc s PRO 69 Ca 0.56 0.64 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 1iqc s PRO 69 Cb -0.26 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 1iqc s PRO 69 CO 0.26 -0.13 1.11 -0.08 0.04 0.00 0.00 177.00 178.20 1iqc s THR 70 N -2.49 3.43 -0.45 1.26 -1.32 -1.26 -4.72 115.64 110.09 1iqc s THR 70 Ca 0.54 1.29 0.23 0.00 -1.21 0.00 0.00 61.69 62.54 1iqc s THR 70 Cb -0.10 -3.76 0.24 0.00 -1.51 0.00 0.00 72.50 67.37 1iqc s THR 70 CO 0.32 0.19 1.50 0.58 -2.21 0.00 0.00 174.62 175.00 1iqc h VAL 71 N 2.66 0.00 -2.05 5.08 2.07 -1.83 -3.42 116.25 118.77 1iqc h VAL 71 Ca -0.48 -0.89 -0.59 0.00 0.82 0.00 0.00 66.70 65.57 1iqc h VAL 71 Cb 1.22 1.75 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1iqc h VAL 71 CO 0.64 0.00 1.25 0.18 0.02 0.00 0.00 177.57 179.66 1iqc n LEU 72 N -2.82 3.55 -0.03 2.57 4.77 -1.26 -0.47 117.00 123.30 1iqc n LEU 72 Ca 0.03 0.76 -0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1iqc n LEU 72 Cb 0.51 -1.45 -0.00 0.00 -2.33 0.00 0.00 43.42 40.15 1iqc n LEU 72 CO 0.35 -0.14 -0.00 0.59 -1.33 0.00 0.00 177.39 176.85 1iqc n ASN 73 N 8.15 -4.06 0.29 -1.43 3.02 0.45 -4.89 115.26 116.79 1iqc n ASN 73 Ca 0.25 0.01 0.19 0.00 -0.03 0.00 0.00 54.58 55.00 1iqc n ASN 73 Cb 0.35 -1.60 0.94 0.00 -0.61 0.00 0.00 39.78 38.86 1iqc n ASN 73 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1iqc h SER 74 N 0.00 0.00 0.34 6.41 4.64 -1.02 -2.05 113.55 121.87 1iqc h SER 74 Ca -0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1iqc h SER 74 Cb 0.36 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1iqc h SER 74 CO 0.01 0.00 -0.08 0.77 -0.87 0.00 0.00 176.83 176.67 1iqc h SER 75 N 0.00 0.00 0.98 4.97 4.64 -1.83 -1.97 113.55 120.35 1iqc h SER 75 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1iqc h SER 75 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1iqc h SER 75 CO 0.00 0.08 -0.10 0.23 -0.87 0.00 0.00 176.83 176.16 1iqc n MET 76 N -3.53 0.05 -1.43 4.77 2.81 -0.77 -4.90 117.12 114.12 1iqc n MET 76 Ca -0.02 0.03 -0.35 0.00 -1.81 0.00 0.00 57.70 55.55 1iqc n MET 76 Cb 0.20 -1.55 0.10 0.00 -0.71 0.00 0.00 33.22 31.26 1iqc n MET 76 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1iqc n ASN 77 N -1.63 1.55 0.15 7.83 5.03 -0.74 -4.82 115.26 122.64 1iqc n ASN 77 Ca 0.06 0.71 0.05 0.00 0.87 0.00 0.00 54.58 56.28 1iqc n ASN 77 Cb 0.36 -1.53 0.06 0.00 -1.02 0.00 0.00 39.78 37.64 1iqc n ASN 77 CO 0.00 0.00 0.00 0.17 -1.83 0.00 0.00 177.26 175.60 1iqc h LEU 78 N -0.15 0.00 -7.99 3.41 8.10 -1.84 -3.47 115.31 113.36 1iqc h LEU 78 Ca -0.49 0.00 0.05 0.00 0.11 0.00 0.00 57.88 57.55 1iqc h LEU 78 Cb 1.32 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.51 1iqc h LEU 78 CO 0.50 0.34 0.26 0.00 -4.11 0.00 0.00 178.44 175.42 1iqc s ALA 79 N -3.05 -1.09 0.14 0.17 0.00 -1.26 -4.94 121.76 111.73 1iqc s ALA 79 Ca 0.04 -0.43 0.08 0.00 0.00 0.00 0.00 51.96 51.65 1iqc s ALA 79 Cb 0.07 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1iqc s ALA 79 CO 0.73 -1.02 -0.12 -0.65 0.00 0.00 0.00 175.76 174.70 1iqc s GLN 80 N -3.38 2.02 0.00 0.00 -1.52 -0.75 -4.91 119.66 111.11 1iqc s GLN 80 Ca 0.13 -1.17 0.00 0.00 -1.95 0.00 0.00 55.36 52.36 1iqc s GLN 80 Cb -0.06 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 1iqc s GLN 80 CO 0.08 0.47 0.00 1.19 -0.25 0.00 0.00 175.29 176.78 1iqc n PHE 81 N 0.42 0.00 -0.26 0.91 3.72 -1.26 -2.93 117.46 118.05 1iqc n PHE 81 Ca -0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.25 1iqc n PHE 81 Cb 0.54 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.24 1iqc n PHE 81 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 176.76 175.22 1iqc h TRP 82 N 0.00 1.08 -0.61 1.38 4.06 -1.96 -1.98 115.95 117.92 1iqc h TRP 82 Ca 0.00 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.93 1iqc h TRP 82 Cb 0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 29.16 27.81 1iqc h TRP 82 CO 0.00 0.75 0.00 -0.40 -3.56 0.00 0.00 178.44 175.23 1iqc n ASP 83 N -4.35 4.11 -2.52 -3.49 3.85 -1.26 -1.24 116.55 111.64 1iqc n ASP 83 Ca 0.08 -2.28 -0.09 0.00 -0.71 0.00 0.00 54.79 51.79 1iqc n ASP 83 Cb 0.10 -0.52 -0.00 0.00 -1.35 0.00 0.00 41.12 39.34 1iqc n ASP 83 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1iqc n GLY 84 N 1.22 -0.50 0.31 6.12 0.00 -0.75 -4.67 105.19 106.91 1iqc n GLY 84 Ca 0.23 0.01 0.20 0.00 0.00 0.00 0.00 46.02 46.46 1iqc n GLY 84 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1iqc h ARG 85 N -0.06 0.00 -5.60 1.61 0.11 -1.83 -3.42 114.38 105.20 1iqc h ARG 85 Ca -0.22 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.28 1iqc h ARG 85 Cb 1.16 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.15 1iqc h ARG 85 CO 0.26 0.00 -0.23 0.00 0.10 0.00 0.00 179.97 180.10 1iqc s ALA 86 N -3.91 3.53 0.15 0.08 0.00 -1.15 -4.99 121.76 115.47 1iqc s ALA 86 Ca -0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 51.96 51.44 1iqc s ALA 86 Cb 0.11 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1iqc s ALA 86 CO 0.46 0.01 1.79 -0.22 0.00 0.00 0.00 175.76 177.80 1iqc h LYS 87 N 6.77 0.53 -3.02 0.00 3.64 -1.88 -2.00 116.57 120.61 1iqc h LYS 87 Ca -0.41 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.94 1iqc h LYS 87 Cb 1.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 1iqc h LYS 87 CO 0.75 0.39 0.25 0.16 -2.27 0.00 0.00 179.45 178.73 1iqc s ASP 88 N -5.61 -0.09 0.32 4.20 3.84 -1.26 -4.57 116.67 113.50 1iqc s ASP 88 Ca -0.13 -0.94 0.09 0.00 -0.00 0.00 0.00 52.55 51.57 1iqc s ASP 88 Cb 0.11 0.80 0.94 0.00 -1.38 0.00 0.00 42.92 43.39 1iqc s ASP 88 CO 0.73 -1.55 1.63 -0.07 -0.00 0.00 0.00 175.17 175.90 1iqc h LEU 89 N 2.00 0.12 0.01 2.11 3.38 -1.93 -1.14 115.31 119.87 1iqc h LEU 89 Ca -0.27 0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1iqc h LEU 89 Cb 1.25 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1iqc h LEU 89 CO 0.34 -0.24 -0.03 0.50 0.09 0.00 0.00 178.44 179.10 1iqc h LYS 90 N 0.17 -0.04 -0.09 1.13 3.64 -1.95 0.18 116.57 119.60 1iqc h LYS 90 Ca 0.67 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 60.07 1iqc h LYS 90 Cb 1.50 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1iqc h LYS 90 CO -0.71 -0.03 0.10 1.49 -2.27 0.00 0.00 179.45 178.03 1iqc h GLU 91 N -0.05 0.00 0.45 1.90 4.81 -1.82 -2.56 114.58 117.32 1iqc h GLU 91 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1iqc h GLU 91 Cb 0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1iqc h GLU 91 CO -0.01 0.00 -0.22 0.37 -0.73 0.00 0.00 179.01 178.42 1iqc h GLN 92 N 0.00 -0.59 -0.65 1.92 -0.00 -0.55 -3.14 115.11 112.10 1iqc h GLN 92 Ca 0.04 0.04 0.19 0.00 -0.00 0.00 0.00 58.65 58.92 1iqc h GLN 92 Cb 0.23 0.13 -0.03 0.00 0.00 0.00 0.00 27.48 27.82 1iqc h GLN 92 CO -0.00 -0.28 0.82 0.00 0.00 0.00 0.00 178.83 179.37 1iqc h ALA 93 N -0.55 2.45 0.00 3.38 0.00 -0.24 0.35 119.26 124.65 1iqc h ALA 93 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1iqc h ALA 93 Cb 0.58 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1iqc h ALA 93 CO 0.10 -1.16 0.00 0.00 0.00 0.00 0.00 179.25 178.20 1iqc h ALA 94 N 0.96 1.00 0.56 0.00 0.00 -1.60 -3.37 119.26 116.81 1iqc h ALA 94 Ca 0.31 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1iqc h ALA 94 Cb 1.95 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.75 1iqc h ALA 94 CO -0.00 0.00 -0.27 0.78 0.00 0.00 0.00 179.25 179.76 1iqc h GLY 95 N 3.53 -0.78 -0.41 0.00 0.00 -0.43 -3.28 103.07 101.70 1iqc h GLY 95 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.66 1iqc h GLY 95 CO 0.00 -0.28 -0.45 -2.55 0.00 0.00 0.00 176.54 173.26 1iqc h PRO 96 N -0.81 -0.25 -1.03 4.80 0.11 -1.74 0.97 132.00 134.05 1iqc h PRO 96 Ca -0.08 0.02 0.40 0.00 0.11 0.00 0.00 66.00 66.45 1iqc h PRO 96 Cb 0.57 0.06 -0.17 0.00 0.11 0.00 0.00 31.00 31.57 1iqc h PRO 96 CO 0.13 -0.17 0.57 0.82 -0.21 0.00 0.00 178.00 179.14 1iqc h ILE 97 N -0.26 0.08 0.00 4.15 2.04 -1.75 -0.71 117.51 121.06 1iqc h ILE 97 Ca 0.07 -0.03 -0.25 0.00 1.00 0.00 0.00 64.86 65.65 1iqc h ILE 97 Cb 0.45 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1iqc h ILE 97 CO -0.52 0.02 -2.07 0.00 0.00 0.00 0.00 178.15 175.58 1iqc n ALA 98 N -2.29 1.85 -1.57 1.87 0.00 -0.92 -0.98 120.51 118.47 1iqc n ALA 98 Ca 0.37 -0.97 -0.51 0.00 0.00 0.00 0.00 53.44 52.33 1iqc n ALA 98 Cb 1.23 -0.50 -0.06 0.00 0.00 0.00 0.00 19.45 20.12 1iqc n ALA 98 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1iqc n ASN 99 N -2.70 2.63 0.25 0.00 2.85 0.29 -4.39 115.26 114.19 1iqc n ASN 99 Ca -0.21 0.68 0.09 0.00 -0.11 0.00 0.00 54.58 55.03 1iqc n ASN 99 Cb 0.97 -1.29 0.65 0.00 1.24 0.00 0.00 39.78 41.35 1iqc n ASN 99 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1iqc h PRO 100 N 10.72 0.00 -0.18 1.20 0.13 -1.88 0.28 132.00 142.27 1iqc h PRO 100 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1iqc h PRO 100 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1iqc h PRO 100 CO 0.99 0.12 0.00 1.63 -0.23 0.00 0.00 178.00 180.50 1iqc n LYS 101 N -4.05 1.66 0.00 0.86 5.02 -1.26 -4.20 118.16 116.19 1iqc n LYS 101 Ca -0.02 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.26 1iqc n LYS 101 Cb 0.20 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 1iqc n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1iqc n GLU 102 N 0.24 0.00 0.28 1.97 1.02 -0.68 -4.07 120.64 119.40 1iqc n GLU 102 Ca 0.15 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.45 1iqc n GLU 102 Cb 0.29 0.00 0.76 0.00 -0.02 0.00 0.00 31.44 32.47 1iqc n GLU 102 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1iqc h MET 103 N 0.00 0.00 -2.12 3.49 2.86 -1.49 -1.97 114.93 115.71 1iqc h MET 103 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 1iqc h MET 103 Cb 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.58 1iqc h MET 103 CO 0.00 0.05 -0.31 0.00 1.06 0.00 0.00 176.91 177.71 1iqc n ALA 104 N -2.14 -0.40 -2.44 6.32 0.00 0.90 -1.08 120.51 121.67 1iqc n ALA 104 Ca -0.01 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1iqc n ALA 104 Cb 0.27 -1.57 0.00 0.00 0.00 0.00 0.00 19.45 18.15 1iqc n ALA 104 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1iqc n SER 105 N -1.08 0.04 -4.18 0.00 2.88 -0.15 -4.54 113.62 106.59 1iqc n SER 105 Ca -0.15 -0.42 -0.11 0.00 -1.33 0.00 0.00 58.87 56.86 1iqc n SER 105 Cb 0.53 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.89 1iqc n SER 105 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1iqc s THR 106 N 1.55 0.74 0.22 2.46 -4.23 -1.23 -3.97 115.64 111.18 1iqc s THR 106 Ca 0.00 -1.95 -0.01 0.00 -1.18 0.00 0.00 61.69 58.55 1iqc s THR 106 Cb 0.00 -1.73 -0.01 0.00 1.34 0.00 0.00 72.50 72.10 1iqc s THR 106 CO 0.00 -0.83 1.58 0.45 -0.54 0.00 0.00 174.62 175.28 1iqc h HIS 107 N 2.93 0.65 -0.38 3.99 3.86 -1.97 -0.78 115.15 123.45 1iqc h HIS 107 Ca -0.35 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 58.55 1iqc h HIS 107 Cb 1.17 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 1iqc h HIS 107 CO 0.59 0.88 -0.23 1.05 0.86 0.00 0.00 177.93 181.08 1iqc h GLU 108 N 0.44 0.75 -0.06 2.45 -0.00 -1.99 -1.76 114.58 114.41 1iqc h GLU 108 Ca 0.03 -0.30 -0.10 0.00 -0.00 0.00 0.00 59.36 58.99 1iqc h GLU 108 Cb 0.93 -0.03 0.01 0.00 -0.00 0.00 0.00 28.75 29.65 1iqc h GLU 108 CO 0.08 0.91 -0.36 0.82 -0.00 0.00 0.00 179.01 180.46 1iqc h ILE 109 N 0.65 1.43 -0.47 -1.06 2.04 -1.96 -1.70 117.51 116.44 1iqc h ILE 109 Ca 0.09 -1.78 0.09 0.00 1.00 0.00 0.00 64.86 64.26 1iqc h ILE 109 Cb 0.73 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.10 1iqc h ILE 109 CO 0.06 0.51 0.02 0.00 0.00 0.00 0.00 178.15 178.74 1iqc h ALA 110 N 0.41 0.45 -0.82 1.87 0.00 -1.08 0.51 119.26 120.59 1iqc h ALA 110 Ca -0.03 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1iqc h ALA 110 Cb 1.02 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1iqc h ALA 110 CO 0.07 -0.38 0.47 0.93 0.00 0.00 0.00 179.25 180.35 1iqc h GLU 111 N 0.13 1.13 0.52 0.00 5.08 -1.34 -1.82 114.58 118.28 1iqc h GLU 111 Ca 0.23 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1iqc h GLU 111 Cb 0.34 -0.23 0.01 0.00 0.50 0.00 0.00 28.75 29.37 1iqc h GLU 111 CO -0.37 0.82 -0.25 -0.22 -1.00 0.00 0.00 179.01 177.99 1iqc h LYS 112 N 1.14 -0.67 -0.04 2.33 3.64 -0.05 -1.46 116.57 121.46 1iqc h LYS 112 Ca 0.29 0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.75 1iqc h LYS 112 Cb 0.00 0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 31.92 1iqc h LYS 112 CO -0.05 -0.42 -0.34 0.28 -2.27 0.00 0.00 179.45 176.65 1iqc h VAL 113 N -0.75 0.27 0.00 2.00 2.07 0.08 -1.71 116.25 118.21 1iqc h VAL 113 Ca -0.07 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1iqc h VAL 113 Cb 0.56 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1iqc h VAL 113 CO 0.12 0.00 -0.18 -0.37 0.02 0.00 0.00 177.57 177.16 1iqc h VAL 114 N -0.46 0.85 -0.16 2.57 -1.51 -1.37 -3.05 116.25 113.12 1iqc h VAL 114 Ca 0.07 -0.68 -0.20 0.00 -1.23 0.00 0.00 66.70 64.66 1iqc h VAL 114 Cb 0.57 1.40 0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1iqc h VAL 114 CO -0.30 0.17 -0.67 0.00 -1.23 0.00 0.00 177.57 175.54 1iqc h ALA 115 N 1.82 0.30 -0.13 5.19 0.00 -0.57 -3.23 119.26 122.64 1iqc h ALA 115 Ca -0.00 -0.56 0.04 0.00 0.00 0.00 0.00 54.91 54.39 1iqc h ALA 115 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1iqc h ALA 115 CO 0.02 0.60 0.29 0.66 0.00 0.00 0.00 179.25 180.83 1iqc h SER 116 N 0.46 0.00 -3.58 0.00 4.64 -1.22 -3.39 113.55 110.46 1iqc h SER 116 Ca -0.04 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.62 1iqc h SER 116 Cb 1.30 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.23 1iqc h SER 116 CO 0.14 0.00 -0.08 -0.04 -0.87 0.00 0.00 176.83 175.99 1iqc s MET 117 N -4.34 3.35 0.22 4.77 -1.94 -1.22 -4.86 119.30 115.29 1iqc s MET 117 Ca -0.04 -0.43 -0.08 0.00 -1.71 0.00 0.00 55.69 53.43 1iqc s MET 117 Cb 0.12 -3.90 0.35 0.00 2.01 0.00 0.00 34.83 33.41 1iqc s MET 117 CO 0.41 -0.80 1.71 -1.35 -0.01 0.00 0.00 175.02 174.98 1iqc h PRO 118 N 8.66 0.29 -0.38 2.03 0.11 -1.88 -0.92 132.00 139.91 1iqc h PRO 118 Ca -0.27 -0.02 0.11 0.00 0.11 0.00 0.00 66.00 65.93 1iqc h PRO 118 Cb 1.11 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1iqc h PRO 118 CO 0.80 0.19 0.31 1.96 -0.21 0.00 0.00 178.00 181.05 1iqc h GLN 119 N 0.30 0.00 0.00 1.05 4.20 -1.95 0.49 115.11 119.21 1iqc h GLN 119 Ca 0.35 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 1iqc h GLN 119 Cb 0.53 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1iqc h GLN 119 CO -0.42 0.00 -0.09 1.88 -0.67 0.00 0.00 178.83 179.53 1iqc h TYR 120 N 0.00 0.01 -0.82 2.96 0.05 -1.46 -3.14 116.97 114.58 1iqc h TYR 120 Ca 0.18 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.09 1iqc h TYR 120 Cb 0.79 -0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.47 1iqc h TYR 120 CO 0.00 1.04 0.54 0.00 -1.05 0.00 0.00 178.16 178.68 1iqc h ARG 121 N -0.98 0.55 -0.17 4.88 3.08 -0.89 0.31 114.38 121.15 1iqc h ARG 121 Ca -0.02 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1iqc h ARG 121 Cb 1.03 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1iqc h ARG 121 CO -0.01 0.36 -0.25 0.93 -1.07 0.00 0.00 179.97 179.93 1iqc h GLU 122 N 0.56 0.32 -0.03 0.04 4.39 -1.02 -0.90 114.58 117.94 1iqc h GLU 122 Ca 0.40 -0.11 -0.25 0.00 0.34 0.00 0.00 59.36 59.75 1iqc h GLU 122 Cb 0.76 -0.02 0.02 0.00 -0.10 0.00 0.00 28.75 29.40 1iqc h GLU 122 CO -0.16 0.55 -0.94 0.00 -1.16 0.00 0.00 179.01 177.30 1iqc h ARG 123 N 0.28 0.69 -0.58 2.33 3.08 -0.44 -2.90 114.38 116.84 1iqc h ARG 123 Ca 0.04 -0.70 -0.07 0.00 0.07 0.00 0.00 59.98 59.33 1iqc h ARG 123 Cb 0.60 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1iqc h ARG 123 CO 0.04 1.29 0.09 0.74 -1.07 0.00 0.00 179.97 181.06 1iqc h PHE 124 N 0.36 0.98 -0.54 3.04 -1.00 -0.72 -2.26 116.94 116.80 1iqc h PHE 124 Ca -0.11 -0.12 -0.11 0.00 2.81 0.00 0.00 57.97 60.44 1iqc h PHE 124 Cb 1.60 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.86 1iqc h PHE 124 CO 0.11 0.84 -0.09 -0.22 -1.61 0.00 0.00 178.31 177.33 1iqc h LYS 125 N 0.88 1.01 0.00 1.51 3.64 -0.26 0.17 116.57 123.52 1iqc h LYS 125 Ca 0.18 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 1iqc h LYS 125 Cb 0.39 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1iqc h LYS 125 CO 0.01 1.05 0.00 0.87 -2.27 0.00 0.00 179.45 179.10 1iqc h LYS 126 N 0.90 0.00 0.00 1.90 6.56 -1.29 0.10 116.57 124.75 1iqc h LYS 126 Ca 0.14 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.45 1iqc h LYS 126 Cb 0.65 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 32.26 1iqc h LYS 126 CO 0.05 0.00 -2.09 0.28 -2.06 0.00 0.00 179.45 175.63 1iqc n VAL 127 N -2.50 1.09 -0.48 0.50 0.31 -0.87 -4.66 118.33 111.72 1iqc n VAL 127 Ca 0.03 -0.51 0.06 0.00 -0.01 0.00 0.00 64.34 63.90 1iqc n VAL 127 Cb 0.32 -0.96 0.14 0.00 -0.91 0.00 0.00 33.84 32.43 1iqc n VAL 127 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1iqc n PHE 128 N -2.88 0.39 0.00 3.52 3.01 0.56 -4.98 117.46 117.08 1iqc n PHE 128 Ca -0.31 -0.67 0.00 0.00 1.01 0.00 0.00 57.45 57.48 1iqc n PHE 128 Cb 0.92 -0.12 0.00 0.00 -0.01 0.00 0.00 39.48 40.27 1iqc n PHE 128 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1iqc n GLY 129 N -0.31 1.25 3.81 1.37 0.00 0.02 -4.90 105.19 106.42 1iqc n GLY 129 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1iqc n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqc s SER 130 N 0.00 5.68 0.00 1.61 0.01 -1.25 -4.83 113.70 114.93 1iqc s SER 130 Ca 0.00 0.02 -0.15 0.00 1.31 0.00 0.00 55.95 57.12 1iqc s SER 130 Cb 0.00 -1.56 -0.34 0.00 0.21 0.00 0.00 66.02 64.32 1iqc s SER 130 CO 0.00 0.15 0.91 -2.24 0.41 0.00 0.00 173.24 172.47 1iqc h ASP 131 N 3.07 0.77 -2.95 2.44 2.03 -1.81 -1.81 116.42 118.15 1iqc h ASP 131 Ca -0.47 -0.93 -0.59 0.00 -0.73 0.00 0.00 57.03 54.32 1iqc h ASP 131 Cb 1.17 -0.25 0.14 0.00 -0.83 0.00 0.00 39.33 39.56 1iqc h ASP 131 CO 0.67 1.71 -0.05 -0.62 -1.03 0.00 0.00 179.24 179.92 1iqc n GLU 132 N -3.73 0.99 -3.97 4.15 -0.58 -1.26 -4.27 120.64 111.97 1iqc n GLU 132 Ca -0.19 0.36 -0.36 0.00 -0.42 0.00 0.00 57.16 56.55 1iqc n GLU 132 Cb 1.07 -1.89 -0.07 0.00 -0.57 0.00 0.00 31.44 29.98 1iqc n GLU 132 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1iqc s VAL 133 N -1.41 5.20 0.03 2.62 1.01 -1.26 -4.90 120.40 121.69 1iqc s VAL 133 Ca 0.66 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.76 1iqc s VAL 133 Cb -0.53 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1iqc s VAL 133 CO 0.55 0.58 -0.09 0.42 0.00 0.00 0.00 175.10 176.56 1iqc s THR 134 N -0.69 0.66 0.53 3.92 -4.23 -1.26 -4.92 115.64 109.65 1iqc s THR 134 Ca 0.13 -0.83 0.29 0.00 -1.18 0.00 0.00 61.69 60.10 1iqc s THR 134 Cb -0.12 -0.65 0.45 0.00 1.34 0.00 0.00 72.50 73.52 1iqc s THR 134 CO 0.03 -0.15 1.94 -0.29 -0.54 0.00 0.00 174.62 175.60 1iqc h ILE 135 N 4.64 0.63 -0.16 2.99 -0.00 -1.98 0.27 117.51 123.89 1iqc h ILE 135 Ca -0.34 -0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.49 1iqc h ILE 135 Cb 1.19 0.63 -0.01 0.00 -0.00 0.00 0.00 36.82 38.64 1iqc h ILE 135 CO 0.44 0.00 -0.02 -0.78 -0.00 0.00 0.00 178.15 177.79 1iqc h ASP 136 N 0.00 0.29 0.42 2.19 3.58 -2.00 -1.95 116.42 118.95 1iqc h ASP 136 Ca 0.35 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 1iqc h ASP 136 Cb 1.41 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 1iqc h ASP 136 CO -0.00 0.56 -0.50 0.03 -2.88 0.00 0.00 179.24 176.44 1iqc h ARG 137 N 0.02 0.10 0.41 0.28 3.08 -1.16 -2.05 114.38 115.05 1iqc h ARG 137 Ca 0.04 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1iqc h ARG 137 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 1iqc h ARG 137 CO 0.01 0.58 -0.20 0.82 -1.07 0.00 0.00 179.97 180.12 1iqc h ILE 138 N 0.08 0.60 -0.47 2.04 2.04 -0.49 -2.11 117.51 119.20 1iqc h ILE 138 Ca 0.00 -0.14 -0.07 0.00 1.00 0.00 0.00 64.86 65.65 1iqc h ILE 138 Cb 0.92 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1iqc h ILE 138 CO 0.07 0.03 -0.00 0.71 0.00 0.00 0.00 178.15 178.95 1iqc h THR 139 N -0.63 1.24 -0.31 -0.27 1.35 -1.32 -1.96 112.91 111.01 1iqc h THR 139 Ca -0.06 -0.99 -0.09 0.00 -0.55 0.00 0.00 66.41 64.72 1iqc h THR 139 Cb 0.46 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.76 1iqc h THR 139 CO 0.09 0.35 -0.19 0.00 -0.25 0.00 0.00 175.52 175.52 1iqc h THR 140 N 0.72 1.26 -0.01 6.82 1.03 -1.32 0.26 112.91 121.66 1iqc h THR 140 Ca 0.14 -1.20 -0.00 0.00 -0.01 0.00 0.00 66.41 65.33 1iqc h THR 140 Cb 0.44 1.23 -0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1iqc h THR 140 CO 0.02 0.39 -0.01 0.00 -0.01 0.00 0.00 175.52 175.92 1iqc h ALA 141 N 1.28 0.02 -0.15 0.00 0.00 -1.14 -0.90 119.26 118.36 1iqc h ALA 141 Ca 0.08 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1iqc h ALA 141 Cb 0.62 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1iqc h ALA 141 CO 0.04 -0.26 -0.07 0.82 0.00 0.00 0.00 179.25 179.78 1iqc h ILE 142 N -0.38 0.78 -0.89 0.00 2.04 -1.19 -0.59 117.51 117.28 1iqc h ILE 142 Ca 0.00 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.96 1iqc h ILE 142 Cb 0.43 0.78 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 1iqc h ILE 142 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 178.15 178.68 1iqc h ALA 143 N 1.09 1.29 -0.77 1.87 0.00 -0.92 0.66 119.26 122.47 1iqc h ALA 143 Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 1iqc h ALA 143 Cb 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1iqc h ALA 143 CO -0.18 0.16 0.47 0.37 0.00 0.00 0.00 179.25 180.07 1iqc h GLN 144 N 0.88 0.85 -0.11 0.00 5.75 0.12 -0.86 115.11 121.75 1iqc h GLN 144 Ca 0.43 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.86 1iqc h GLN 144 Cb 0.38 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.73 1iqc h GLN 144 CO -0.25 0.56 -0.01 0.35 -2.65 0.00 0.00 178.83 176.84 1iqc h PHE 145 N 0.88 0.22 -0.14 3.99 3.57 0.42 -2.95 116.94 122.92 1iqc h PHE 145 Ca 0.33 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1iqc h PHE 145 Cb 0.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1iqc h PHE 145 CO -0.04 0.46 0.11 0.93 -2.23 0.00 0.00 178.31 177.54 1iqc h GLU 146 N -0.10 0.00 0.00 1.11 5.08 -0.53 -0.01 114.58 120.14 1iqc h GLU 146 Ca 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1iqc h GLU 146 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 1iqc h GLU 146 CO 0.01 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 178.95 1iqc h GLU 147 N 0.00 0.00 -0.01 2.33 4.39 -0.98 0.11 114.58 120.42 1iqc h GLU 147 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1iqc h GLU 147 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1iqc h GLU 147 CO -0.00 0.00 -0.21 0.25 -1.16 0.00 0.00 179.01 177.90 1iqc n THR 148 N -4.07 0.00 -0.61 1.13 -2.24 -0.02 -4.30 114.28 104.16 1iqc n THR 148 Ca -0.03 -0.09 -0.03 0.00 -2.27 0.00 0.00 64.05 61.63 1iqc n THR 148 Cb 0.09 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.44 1iqc n THR 148 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqc n LEU 149 N -0.86 5.40 -4.92 3.22 4.77 0.37 -4.87 117.00 120.11 1iqc n LEU 149 Ca 0.12 -2.59 -0.26 0.00 -0.03 0.00 0.00 56.01 53.25 1iqc n LEU 149 Cb 0.32 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 1iqc n LEU 149 CO 0.26 1.14 0.29 0.68 -1.33 0.00 0.00 177.39 178.43 1iqc s VAL 150 N 0.03 5.01 -0.56 4.08 -7.23 -1.26 -0.41 120.40 120.06 1iqc s VAL 150 Ca 0.13 -0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.21 1iqc s VAL 150 Cb 0.07 -3.85 0.19 0.00 0.56 0.00 0.00 36.38 33.34 1iqc s VAL 150 CO -0.00 -0.66 0.47 1.07 -0.31 0.00 0.00 175.10 175.66 1iqc n THR 151 N -1.92 0.42 -1.74 5.32 5.66 -1.26 -4.85 114.28 115.92 1iqc n THR 151 Ca -0.02 -4.28 -0.29 0.00 -3.05 0.00 0.00 64.05 56.40 1iqc n THR 151 Cb 0.56 -1.95 0.09 0.00 -1.55 0.00 0.00 70.33 67.47 1iqc n THR 151 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1iqc s PRO 152 N -0.98 1.94 0.00 1.09 0.04 -1.26 -3.99 135.00 131.83 1iqc s PRO 152 Ca 0.31 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1iqc s PRO 152 Cb 0.03 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1iqc s PRO 152 CO -0.16 -1.65 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1iqc n GLY 153 N -2.76 0.68 3.69 0.56 0.00 -1.26 -1.07 105.19 105.03 1iqc n GLY 153 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1iqc n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqc n SER 154 N 0.00 2.16 0.30 1.61 3.41 -1.26 -4.65 113.62 115.20 1iqc n SER 154 Ca 0.00 0.99 0.18 0.00 -0.26 0.00 0.00 58.87 59.78 1iqc n SER 154 Cb 0.00 -1.50 0.96 0.00 -0.26 0.00 0.00 64.21 63.41 1iqc n SER 154 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1iqc h LYS 155 N 1.47 0.00 0.19 4.33 3.64 -1.72 -0.30 116.57 124.18 1iqc h LYS 155 Ca -0.49 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.60 1iqc h LYS 155 Cb 1.32 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1iqc h LYS 155 CO 0.57 0.00 -1.33 0.35 -2.27 0.00 0.00 179.45 176.77 1iqc h PHE 156 N 0.00 0.72 -0.59 1.91 3.57 -1.63 -3.15 116.94 117.77 1iqc h PHE 156 Ca 0.00 -0.52 -0.03 0.00 3.53 0.00 0.00 57.97 60.95 1iqc h PHE 156 Cb 0.25 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1iqc h PHE 156 CO 0.00 1.51 0.26 -0.44 -2.23 0.00 0.00 178.31 177.41 1iqc h ASP 157 N -0.09 0.76 0.03 0.41 5.19 -1.33 -1.02 116.42 120.37 1iqc h ASP 157 Ca -0.25 -0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.00 1iqc h ASP 157 Cb 1.93 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 41.24 1iqc h ASP 157 CO 0.18 0.67 -0.20 0.11 -3.12 0.00 0.00 179.24 176.88 1iqc h LYS 158 N 0.83 0.31 0.12 3.56 1.57 -1.49 -0.09 116.57 121.38 1iqc h LYS 158 Ca 0.20 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1iqc h LYS 158 Cb 0.13 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1iqc h LYS 158 CO -0.02 0.51 -0.06 2.35 -0.57 0.00 0.00 179.45 181.65 1iqc h TRP 159 N 0.28 -0.15 -0.12 -1.35 7.01 -1.20 0.14 115.95 120.55 1iqc h TRP 159 Ca 0.05 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.08 1iqc h TRP 159 Cb 0.52 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.63 1iqc h TRP 159 CO 0.01 0.16 0.09 -0.07 -2.79 0.00 0.00 178.44 175.85 1iqc h LEU 160 N -0.48 0.00 -0.36 0.65 3.38 -0.87 -0.73 115.31 116.90 1iqc h LEU 160 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1iqc h LEU 160 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1iqc h LEU 160 CO 0.03 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 178.23 1iqc h GLU 161 N 0.00 0.00 0.00 1.13 5.08 -0.75 -3.46 114.58 116.58 1iqc h GLU 161 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1iqc h GLU 161 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1iqc h GLU 161 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1iqc n GLY 162 N 0.80 0.81 3.60 -3.84 0.00 -0.28 -5.08 105.19 101.20 1iqc n GLY 162 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1iqc n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1iqc s ASP 163 N -0.78 6.24 0.00 1.61 2.15 0.46 -4.87 116.67 121.48 1iqc s ASP 163 Ca 0.00 0.88 0.28 0.00 0.43 0.00 0.00 52.55 54.14 1iqc s ASP 163 Cb 0.00 -2.54 1.57 0.00 -0.30 0.00 0.00 42.92 41.65 1iqc s ASP 163 CO 0.00 -1.51 2.03 0.29 -0.17 0.00 0.00 175.17 175.81 1iqc n LYS 164 N 8.18 1.13 0.00 4.34 4.01 -1.26 -3.05 118.16 131.51 1iqc n LYS 164 Ca 0.17 -0.19 0.08 0.00 -0.51 0.00 0.00 58.31 57.86 1iqc n LYS 164 Cb 0.48 -1.45 -0.00 0.00 -0.51 0.00 0.00 35.03 33.54 1iqc n LYS 164 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1iqc n ASN 165 N -0.72 1.62 0.07 4.39 0.23 -1.26 -4.66 115.26 114.92 1iqc n ASN 165 Ca 0.21 -1.31 -0.07 0.00 -0.53 0.00 0.00 54.58 52.88 1iqc n ASN 165 Cb 0.15 0.48 -0.04 0.00 -2.08 0.00 0.00 39.78 38.29 1iqc n ASN 165 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1iqc h ALA 166 N 2.82 -0.79 -2.92 -2.53 0.00 -1.82 -3.43 119.26 110.58 1iqc h ALA 166 Ca 0.00 -0.06 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 1iqc h ALA 166 Cb 0.55 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1iqc h ALA 166 CO 0.00 -0.84 -0.51 -0.51 0.00 0.00 0.00 179.25 177.39 1iqc s LEU 167 N -7.10 4.29 0.00 0.00 1.43 -1.26 -4.94 118.68 111.10 1iqc s LEU 167 Ca -0.07 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1iqc s LEU 167 Cb 0.02 -2.82 0.11 0.00 0.03 0.00 0.00 46.19 43.53 1iqc s LEU 167 CO 0.26 0.19 0.77 -0.46 0.23 0.00 0.00 176.35 177.34 1iqc n ASN 168 N 0.47 1.26 -0.12 2.29 0.23 -1.26 -4.84 115.26 113.30 1iqc n ASN 168 Ca -0.07 -2.01 -0.08 0.00 -0.53 0.00 0.00 54.58 51.89 1iqc n ASN 168 Cb 0.51 -0.47 -0.00 0.00 -2.08 0.00 0.00 39.78 37.74 1iqc n ASN 168 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1iqc h GLN 169 N 0.00 0.48 -0.48 -3.83 3.07 -1.99 -0.52 115.11 111.84 1iqc h GLN 169 Ca -0.25 -0.03 0.03 0.00 0.09 0.00 0.00 58.65 58.48 1iqc h GLN 169 Cb 1.00 -0.11 -0.03 0.00 0.08 0.00 0.00 27.48 28.41 1iqc h GLN 169 CO 0.29 0.32 0.27 -0.44 0.09 0.00 0.00 178.83 179.37 1iqc h ASP 170 N 0.50 0.43 -0.33 0.06 3.45 -1.96 -0.02 116.42 118.55 1iqc h ASP 170 Ca 0.14 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 1iqc h ASP 170 Cb -0.04 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 1iqc h ASP 170 CO -0.04 0.30 0.10 -0.33 -1.57 0.00 0.00 179.24 177.70 1iqc h GLU 171 N 0.55 0.51 -0.08 3.56 5.08 -1.78 -1.35 114.58 121.06 1iqc h GLU 171 Ca 0.20 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1iqc h GLU 171 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1iqc h GLU 171 CO -0.11 0.55 0.04 1.25 -1.00 0.00 0.00 179.01 179.74 1iqc h LEU 172 N 0.37 0.05 -1.72 1.33 5.85 -0.78 -1.21 115.31 119.20 1iqc h LEU 172 Ca 0.10 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.86 1iqc h LEU 172 Cb 0.26 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1iqc h LEU 172 CO -0.00 0.04 0.24 -0.33 -0.34 0.00 0.00 178.44 178.05 1iqc h GLU 173 N 0.08 0.35 -0.71 1.25 5.08 -0.93 -0.62 114.58 119.08 1iqc h GLU 173 Ca 0.03 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1iqc h GLU 173 Cb 0.01 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1iqc h GLU 173 CO -0.02 0.23 0.19 0.78 -1.00 0.00 0.00 179.01 179.19 1iqc h GLY 174 N 0.36 1.21 0.91 -3.84 0.00 -0.11 -1.50 103.07 100.11 1iqc h GLY 174 Ca 0.15 -0.74 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 1iqc h GLY 174 CO -0.03 0.69 -0.15 -1.82 0.00 0.00 0.00 176.54 175.22 1iqc h TYR 175 N 1.07 0.72 -0.50 5.60 3.20 -0.22 -0.15 116.97 126.71 1iqc h TYR 175 Ca 0.23 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1iqc h TYR 175 Cb 0.34 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1iqc h TYR 175 CO 0.03 0.86 0.31 -0.91 -1.64 0.00 0.00 178.16 176.81 1iqc h ASN 176 N 0.37 0.58 0.19 -2.11 2.35 -1.07 0.20 115.58 116.10 1iqc h ASN 176 Ca 0.06 -0.02 -0.26 0.00 -0.55 0.00 0.00 56.30 55.53 1iqc h ASN 176 Cb 0.68 -0.15 0.02 0.00 0.05 0.00 0.00 38.32 38.92 1iqc h ASN 176 CO 0.05 0.43 -1.07 0.25 -1.65 0.00 0.00 177.43 175.44 1iqc h LEU 177 N 0.68 0.74 -0.18 1.61 5.85 -1.14 0.27 115.31 123.14 1iqc h LEU 177 Ca 0.18 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1iqc h LEU 177 Cb -0.05 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.74 1iqc h LEU 177 CO -0.04 1.44 0.12 0.15 -0.34 0.00 0.00 178.44 179.77 1iqc h PHE 178 N 0.29 0.23 -0.01 1.25 3.57 -0.18 0.15 116.94 122.24 1iqc h PHE 178 Ca -0.13 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.37 1iqc h PHE 178 Cb 1.73 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 40.39 1iqc h PHE 178 CO 0.09 0.15 -0.01 -0.22 -2.23 0.00 0.00 178.31 176.08 1iqc h LYS 179 N 0.24 0.03 -0.51 1.11 3.64 -0.65 -2.40 116.57 118.03 1iqc h LYS 179 Ca 0.07 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1iqc h LYS 179 Cb -0.03 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 1iqc h LYS 179 CO -0.01 0.54 0.24 0.78 -2.27 0.00 0.00 179.45 178.73 1iqc h GLY 180 N -0.47 0.77 2.00 5.01 0.00 -0.37 -2.59 103.07 107.41 1iqc h GLY 180 Ca 0.00 -0.35 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1iqc h GLY 180 CO 0.00 0.33 -0.27 1.76 0.00 0.00 0.00 176.54 178.37 1iqc h SER 181 N 0.72 0.00 0.00 0.19 0.02 -0.77 -3.47 113.55 110.24 1iqc h SER 181 Ca 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1iqc h SER 181 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1iqc h SER 181 CO -0.02 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.54 1iqc n GLY 182 N 0.18 1.14 0.30 -3.77 0.00 -0.97 -4.99 105.19 97.08 1iqc n GLY 182 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 1iqc n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1iqc n VAL 184 N -4.35 0.00 0.02 0.00 0.24 -1.25 -1.81 118.33 111.17 1iqc n VAL 184 Ca 0.05 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.29 1iqc n VAL 184 Cb 0.19 -0.96 0.14 0.00 -1.47 0.00 0.00 33.84 31.74 1iqc n VAL 184 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1iqc h GLN 185 N 0.00 0.49 0.00 7.34 4.15 -1.58 -3.33 115.11 122.18 1iqc h GLN 185 Ca 0.00 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 1iqc h GLN 185 Cb 0.00 -0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1iqc h GLN 185 CO 0.00 0.80 -1.04 0.00 -1.93 0.00 0.00 178.83 176.66 1iqc n HIS 187 N -1.99 4.92 -4.67 0.00 8.25 -0.94 -4.38 115.22 116.41 1iqc n HIS 187 Ca -0.01 -3.65 -0.32 0.00 -0.26 0.00 0.00 57.72 53.48 1iqc n HIS 187 Cb 0.49 -1.80 -0.06 0.00 1.12 0.00 0.00 29.99 29.74 1iqc n HIS 187 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1iqc n ASN 188 N 3.31 3.34 -0.34 0.41 2.04 -1.26 -4.34 115.26 118.42 1iqc n ASN 188 Ca 0.28 -3.19 0.01 0.00 -0.44 0.00 0.00 54.58 51.24 1iqc n ASN 188 Cb 0.39 0.32 -0.00 0.00 -2.53 0.00 0.00 39.78 37.96 1iqc n ASN 188 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1iqc n GLY 189 N -1.10 -1.79 0.18 4.83 0.00 0.11 -1.48 105.19 105.95 1iqc n GLY 189 Ca -0.19 -1.31 0.14 0.00 0.00 0.00 0.00 46.02 44.66 1iqc n GLY 189 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1iqc h PRO 190 N 0.00 0.00 -0.01 1.61 0.13 -1.77 -2.68 132.00 129.28 1iqc h PRO 190 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1iqc h PRO 190 Cb 0.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1iqc h PRO 190 CO 0.00 0.00 -0.58 0.00 -0.23 0.00 0.00 178.00 177.19 1iqc n ALA 191 N -1.90 3.79 -3.99 -0.56 0.00 -1.26 -4.66 120.51 111.93 1iqc n ALA 191 Ca 0.02 -0.55 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 1iqc n ALA 191 Cb 0.30 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 1iqc n ALA 191 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1iqc n VAL 192 N -0.70 -2.43 0.00 0.00 0.31 -0.71 -2.97 118.33 111.84 1iqc n VAL 192 Ca 0.08 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1iqc n VAL 192 Cb 0.39 -2.55 0.00 0.00 -0.91 0.00 0.00 33.84 30.77 1iqc n VAL 192 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1iqc n GLY 193 N -1.71 1.92 2.11 2.92 0.00 -0.55 -2.53 105.19 107.35 1iqc n GLY 193 Ca -0.12 -1.89 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 1iqc n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1iqc n GLY 194 N -1.91 0.38 0.00 -0.02 0.00 0.69 -4.50 105.19 99.83 1iqc n GLY 194 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 1iqc n GLY 194 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iqc n SER 195 N 1.14 0.51 -3.01 1.61 3.41 -1.26 -2.71 113.62 113.31 1iqc n SER 195 Ca -0.05 -0.76 -0.08 0.00 -0.26 0.00 0.00 58.87 57.71 1iqc n SER 195 Cb 0.40 0.40 0.02 0.00 -0.26 0.00 0.00 64.21 64.77 1iqc n SER 195 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1iqc s SER 196 N -0.40 -0.00 -0.09 4.04 1.04 -1.26 -4.86 113.70 112.17 1iqc s SER 196 Ca 0.00 -1.07 -0.00 0.00 0.48 0.00 0.00 55.95 55.36 1iqc s SER 196 Cb 0.00 0.80 -0.03 0.00 0.10 0.00 0.00 66.02 66.89 1iqc s SER 196 CO 0.00 -1.59 -0.05 -0.31 0.98 0.00 0.00 173.24 172.26 1iqc s TYR 197 N -2.35 2.99 -0.01 5.02 1.51 -1.26 -1.43 117.35 121.81 1iqc s TYR 197 Ca 0.16 -0.02 -0.03 0.00 -1.01 0.00 0.00 57.07 56.17 1iqc s TYR 197 Cb -0.05 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 40.03 1iqc s TYR 197 CO 0.10 0.28 0.06 -0.65 -1.11 0.00 0.00 175.55 174.24 1iqc s GLN 198 N -0.59 0.17 0.33 -0.62 -1.52 -0.75 -4.94 119.66 111.74 1iqc s GLN 198 Ca 0.09 -0.09 -0.29 0.00 -1.95 0.00 0.00 55.36 53.12 1iqc s GLN 198 Cb -0.12 0.07 -0.11 0.00 -0.22 0.00 0.00 33.01 32.64 1iqc s GLN 198 CO 0.02 -0.03 1.42 0.21 -0.25 0.00 0.00 175.29 176.66 1iqc s LYS 199 N -0.41 4.23 -0.55 2.91 2.47 -1.26 -1.92 119.74 125.21 1iqc s LYS 199 Ca -0.05 2.40 -0.19 0.00 -1.56 0.00 0.00 55.97 56.57 1iqc s LYS 199 Cb -0.03 -3.03 0.08 0.00 -1.46 0.00 0.00 37.83 33.39 1iqc s LYS 199 CO 0.00 -0.40 0.67 1.41 0.16 0.00 0.00 175.35 177.20 1iqc s MET 200 N -1.55 3.08 0.00 4.03 -2.45 0.87 -4.27 119.30 119.02 1iqc s MET 200 Ca 0.53 -1.10 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 1iqc s MET 200 Cb -0.43 -4.19 0.00 0.00 1.25 0.00 0.00 34.83 31.46 1iqc s MET 200 CO 0.55 -1.40 0.00 0.41 1.05 0.00 0.00 175.02 175.63 1iqc n GLY 201 N 5.23 0.76 0.19 2.11 0.00 -1.26 -4.35 105.19 107.87 1iqc n GLY 201 Ca -0.08 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 1iqc n GLY 201 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iqc h VAL 202 N 0.00 0.69 0.00 1.61 2.07 -1.44 -3.36 116.25 115.83 1iqc h VAL 202 Ca 0.00 -0.69 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 1iqc h VAL 202 Cb 0.00 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1iqc h VAL 202 CO 0.00 0.13 -1.47 0.49 0.02 0.00 0.00 177.57 176.74 1iqc n PHE 203 N -5.10 0.80 -3.81 1.57 3.01 0.10 -4.94 117.46 109.09 1iqc n PHE 203 Ca -0.09 0.26 -0.12 0.00 1.01 0.00 0.00 57.45 58.50 1iqc n PHE 203 Cb 0.26 -0.99 -0.10 0.00 -0.01 0.00 0.00 39.48 38.64 1iqc n PHE 203 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1iqc s LYS 204 N -3.05 0.44 0.53 -1.08 1.02 -1.24 -5.06 119.74 111.30 1iqc s LYS 204 Ca -0.04 -0.04 -0.21 0.00 0.02 0.00 0.00 55.97 55.71 1iqc s LYS 204 Cb 0.09 0.20 -0.06 0.00 -0.52 0.00 0.00 37.83 37.54 1iqc s LYS 204 CO 0.82 -0.10 1.21 -1.25 -0.92 0.00 0.00 175.35 175.11 1iqc s PRO 205 N -0.73 3.35 -0.33 -1.68 0.04 -1.26 -4.26 135.00 130.13 1iqc s PRO 205 Ca -0.08 1.85 -0.23 0.00 0.04 0.00 0.00 61.00 62.58 1iqc s PRO 205 Cb -0.05 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1iqc s PRO 205 CO 0.02 -0.91 0.75 -0.47 0.04 0.00 0.00 177.00 176.43 1iqc s TYR 206 N -1.55 3.17 -0.06 0.56 6.14 -1.26 -4.98 117.35 119.37 1iqc s TYR 206 Ca 0.71 0.65 -0.30 0.00 0.64 0.00 0.00 57.07 58.77 1iqc s TYR 206 Cb -0.31 -3.24 -0.03 0.00 0.42 0.00 0.00 41.96 38.80 1iqc s TYR 206 CO 0.35 -0.62 1.27 -1.21 0.64 0.00 0.00 175.55 175.98 1iqc s GLU 207 N 2.93 4.31 -0.19 4.97 2.02 -1.26 -4.99 118.70 126.50 1iqc s GLU 207 Ca 0.30 1.75 -0.28 0.00 0.02 0.00 0.00 54.97 56.76 1iqc s GLU 207 Cb -0.14 -3.61 0.11 0.00 0.10 0.00 0.00 34.13 30.59 1iqc s GLU 207 CO 0.14 -0.53 0.90 -0.08 0.02 0.00 0.00 175.26 175.71 1iqc s THR 208 N 2.53 0.00 -2.27 3.63 -1.32 -1.26 -5.01 115.64 111.94 1iqc s THR 208 Ca 0.58 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.33 1iqc s THR 208 Cb -0.26 -1.00 0.38 0.00 -1.51 0.00 0.00 72.50 70.12 1iqc s THR 208 CO 0.22 0.00 1.60 0.29 -2.21 0.00 0.00 174.62 174.51 1iqc n LYS 209 N 1.46 1.42 -2.21 7.08 5.02 -1.26 -4.85 118.16 124.81 1iqc n LYS 209 Ca -0.13 -0.90 -0.43 0.00 -2.02 0.00 0.00 58.31 54.83 1iqc n LYS 209 Cb 0.57 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 34.07 1iqc n LYS 209 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1iqc s ASN 210 N -2.20 6.23 -0.92 4.39 3.84 -1.26 -4.94 114.94 120.07 1iqc s ASN 210 Ca 0.31 1.11 -0.24 0.00 0.21 0.00 0.00 52.86 54.25 1iqc s ASN 210 Cb 0.20 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.37 1iqc s ASN 210 CO 0.41 -1.47 1.69 -2.84 -2.79 0.00 0.00 177.10 172.09 1iqc s PRO 211 N 5.07 3.04 -0.21 0.43 0.02 -1.26 -4.89 135.00 137.20 1iqc s PRO 211 Ca 0.68 -0.58 -0.06 0.00 0.02 0.00 0.00 61.00 61.06 1iqc s PRO 211 Cb -0.18 -5.09 0.10 0.00 0.02 0.00 0.00 34.50 29.35 1iqc s PRO 211 CO 0.32 -2.76 0.42 0.00 -0.33 0.00 0.00 177.00 174.65 1iqc s ALA 212 N 7.56 -1.18 0.04 -1.55 0.00 -1.26 -5.03 121.76 120.34 1iqc s ALA 212 Ca 0.57 1.40 0.10 0.00 0.00 0.00 0.00 51.96 54.03 1iqc s ALA 212 Cb -0.04 -1.43 -0.20 0.00 0.00 0.00 0.00 23.12 21.46 1iqc s ALA 212 CO -0.02 -0.88 1.08 0.00 0.00 0.00 0.00 175.76 175.93 1iqc h ALA 213 N 8.17 0.52 0.00 0.00 0.00 -1.98 -3.43 119.26 122.54 1iqc h ALA 213 Ca -0.17 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 53.69 1iqc h ALA 213 Cb 1.12 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1iqc h ALA 213 CO 0.16 1.30 0.00 0.41 0.00 0.00 0.00 179.25 181.12 1iqc n GLY 214 N 1.41 0.46 0.00 0.00 0.00 -1.26 0.28 105.19 106.07 1iqc n GLY 214 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1iqc n GLY 214 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1iqc n ARG 215 N 9.17 0.00 0.11 1.61 3.00 -0.45 -1.04 116.66 129.05 1iqc n ARG 215 Ca 0.00 0.18 -0.23 0.00 -0.00 0.00 0.00 57.85 57.80 1iqc n ARG 215 Cb 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 32.46 30.71 1iqc n ARG 215 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1iqc h MET 216 N 0.00 0.49 -0.04 -0.14 4.05 -1.70 -3.00 114.93 114.59 1iqc h MET 216 Ca 0.00 -0.78 0.01 0.00 -0.28 0.00 0.00 59.70 58.65 1iqc h MET 216 Cb 0.20 0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1iqc h MET 216 CO 0.00 1.37 0.31 -0.44 0.23 0.00 0.00 176.91 178.38 1iqc h ASP 217 N 0.02 0.00 0.15 1.39 3.32 -1.40 0.74 116.42 120.64 1iqc h ASP 217 Ca -0.21 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.49 1iqc h ASP 217 Cb 1.95 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.44 1iqc h ASP 217 CO 0.23 0.00 -2.16 0.55 -1.72 0.00 0.00 179.24 176.15 1iqc n VAL 218 N -3.01 1.57 -0.13 -1.35 3.14 -1.22 -4.72 118.33 112.61 1iqc n VAL 218 Ca -0.01 -0.72 -0.27 0.00 -2.96 0.00 0.00 64.34 60.38 1iqc n VAL 218 Cb 0.38 -1.17 -0.09 0.00 -1.06 0.00 0.00 33.84 31.90 1iqc n VAL 218 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1iqc n THR 219 N -3.14 1.53 0.00 1.55 -2.24 -0.45 -5.03 114.28 106.51 1iqc n THR 219 Ca -0.32 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1iqc n THR 219 Cb 1.06 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.35 1iqc n THR 219 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1iqc n GLY 220 N 1.28 0.47 3.74 3.38 0.00 0.25 -5.07 105.19 109.23 1iqc n GLY 220 Ca -0.49 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1iqc n GLY 220 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1iqc s ASN 221 N -1.98 7.42 0.48 1.61 -0.87 -1.26 -4.93 114.94 115.40 1iqc s ASN 221 Ca 0.00 1.95 0.21 0.00 -1.57 0.00 0.00 52.86 53.45 1iqc s ASN 221 Cb 0.00 -2.60 1.20 0.00 -0.02 0.00 0.00 41.25 39.83 1iqc s ASN 221 CO 0.00 -0.10 2.02 -0.08 -2.57 0.00 0.00 177.10 176.37 1iqc h GLU 222 N 5.11 0.00 0.00 -0.60 4.57 -1.97 0.12 114.58 121.81 1iqc h GLU 222 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 1iqc h GLU 222 Cb 1.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1iqc h GLU 222 CO 0.71 0.17 0.00 0.00 -1.18 0.00 0.00 179.01 178.71 1iqc n ALA 223 N -2.39 1.39 -0.04 2.92 0.00 -1.26 -2.04 120.51 119.09 1iqc n ALA 223 Ca -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1iqc n ALA 223 Cb 0.26 -1.21 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 1iqc n ALA 223 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1iqc n ASP 224 N -1.75 0.15 -4.61 0.00 8.00 0.03 -4.90 116.55 113.48 1iqc n ASP 224 Ca 0.02 0.07 -0.55 0.00 0.71 0.00 0.00 54.79 55.03 1iqc n ASP 224 Cb 0.11 1.23 -0.07 0.00 -0.02 0.00 0.00 41.12 42.37 1iqc n ASP 224 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1iqc n ARG 225 N -2.59 0.86 -1.21 -1.24 0.63 -0.86 -0.60 116.66 111.65 1iqc n ARG 225 Ca -0.18 0.31 -0.07 0.00 -0.92 0.00 0.00 57.85 56.99 1iqc n ARG 225 Cb 0.88 -1.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.83 1iqc n ARG 225 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1iqc n ASN 226 N 3.00 -3.92 -4.50 6.15 5.03 0.14 -4.92 115.26 116.23 1iqc n ASN 226 Ca 0.21 0.18 -0.34 0.00 0.87 0.00 0.00 54.58 55.50 1iqc n ASN 226 Cb 0.14 -2.07 -0.12 0.00 -1.02 0.00 0.00 39.78 36.71 1iqc n ASN 226 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1iqc s VAL 227 N -2.26 4.00 0.25 2.41 0.11 0.24 -0.09 120.40 125.06 1iqc s VAL 227 Ca 0.00 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 58.79 1iqc s VAL 227 Cb 0.00 -2.77 -0.05 0.00 -1.53 0.00 0.00 36.38 32.03 1iqc s VAL 227 CO 0.00 0.48 -0.06 -0.36 -3.33 0.00 0.00 175.10 171.83 1iqc s PHE 228 N 0.49 1.76 0.29 1.54 0.40 -0.81 -1.34 117.98 120.31 1iqc s PHE 228 Ca -0.02 -0.75 -0.29 0.00 -0.60 0.00 0.00 56.93 55.26 1iqc s PHE 228 Cb -0.14 -0.98 -0.10 0.00 0.51 0.00 0.00 43.02 42.31 1iqc s PHE 228 CO 0.02 0.18 1.35 0.21 0.70 0.00 0.00 175.22 177.68 1iqc s LYS 229 N -3.76 4.33 -0.22 0.44 2.20 -0.37 -1.80 119.74 120.56 1iqc s LYS 229 Ca 0.27 2.23 -0.29 0.00 -0.36 0.00 0.00 55.97 57.82 1iqc s LYS 229 Cb 0.04 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.24 1iqc s LYS 229 CO 0.10 -0.26 1.45 0.08 -0.36 0.00 0.00 175.35 176.35 1iqc s VAL 230 N -0.69 3.94 0.55 4.02 1.01 -0.52 -4.89 120.40 123.82 1iqc s VAL 230 Ca 0.53 1.08 -0.17 0.00 0.00 0.00 0.00 61.98 63.42 1iqc s VAL 230 Cb -0.40 -3.88 -0.06 0.00 0.00 0.00 0.00 36.38 32.04 1iqc s VAL 230 CO 0.49 -0.30 1.03 -2.16 0.00 0.00 0.00 175.10 174.16 1iqc s PRO 231 N 4.22 3.56 0.46 2.72 0.04 -1.26 0.25 135.00 145.00 1iqc s PRO 231 Ca 0.64 1.16 -0.23 0.00 0.04 0.00 0.00 61.00 62.61 1iqc s PRO 231 Cb -0.22 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 1iqc s PRO 231 CO 0.24 -0.61 1.14 -0.08 0.04 0.00 0.00 177.00 177.74 1iqc s THR 232 N -2.42 3.21 -2.17 1.26 -1.32 -1.26 -4.03 115.64 108.91 1iqc s THR 232 Ca 0.63 0.88 0.22 0.00 -1.21 0.00 0.00 61.69 62.22 1iqc s THR 232 Cb -0.14 -3.44 0.51 0.00 -1.51 0.00 0.00 72.50 67.92 1iqc s THR 232 CO 0.32 -0.03 1.45 0.18 -2.21 0.00 0.00 174.62 174.33 1iqc n LEU 233 N -0.55 3.65 -4.72 9.08 4.77 -1.05 -4.77 117.00 123.41 1iqc n LEU 233 Ca 0.08 -1.73 -0.42 0.00 -0.03 0.00 0.00 56.01 53.91 1iqc n LEU 233 Cb 0.49 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 1iqc n LEU 233 CO 0.46 0.85 0.90 -0.13 -1.33 0.00 0.00 177.39 178.14 1iqc s ARG 234 N -1.25 4.45 -1.39 3.23 1.81 -1.26 -2.40 118.95 122.15 1iqc s ARG 234 Ca 0.42 1.85 0.00 0.00 -1.72 0.00 0.00 55.73 56.28 1iqc s ARG 234 Cb 0.23 -3.29 0.00 0.00 -0.45 0.00 0.00 34.95 31.45 1iqc s ARG 234 CO 0.32 -0.20 0.00 0.09 -0.68 0.00 0.00 175.30 174.83 1iqc n ASN 235 N 3.28 -5.51 -0.22 0.23 3.02 -0.58 -4.82 115.26 110.65 1iqc n ASN 235 Ca 0.07 0.32 0.31 0.00 -0.03 0.00 0.00 54.58 55.25 1iqc n ASN 235 Cb 0.45 -4.17 0.73 0.00 -0.61 0.00 0.00 39.78 36.18 1iqc n ASN 235 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1iqc h ILE 236 N 0.00 0.51 0.00 2.41 6.09 -1.75 0.51 117.51 125.28 1iqc h ILE 236 Ca -0.27 -0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.22 1iqc h ILE 236 Cb 1.17 0.50 -0.00 0.00 0.47 0.00 0.00 36.82 38.96 1iqc h ILE 236 CO 0.39 0.00 -0.02 -0.08 -3.07 0.00 0.00 178.15 175.37 1iqc h GLU 237 N 0.00 0.00 -0.15 2.19 4.81 -1.85 -2.74 114.58 116.86 1iqc h GLU 237 Ca 0.47 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 1iqc h GLU 237 Cb 1.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.25 1iqc h GLU 237 CO -0.01 0.02 0.00 1.28 -0.73 0.00 0.00 179.01 179.57 1iqc n LEU 238 N -3.43 2.62 -0.81 1.64 4.77 0.18 -4.61 117.00 117.36 1iqc n LEU 238 Ca -0.03 -1.25 0.05 0.00 -0.03 0.00 0.00 56.01 54.75 1iqc n LEU 238 Cb 0.12 -0.09 0.22 0.00 -2.33 0.00 0.00 43.42 41.34 1iqc n LEU 238 CO 0.25 0.53 0.67 0.35 -1.33 0.00 0.00 177.39 177.86 1iqc n THR 239 N 0.94 2.29 -1.15 -5.08 -2.24 -1.03 -4.54 114.28 103.47 1iqc n THR 239 Ca 0.11 -2.22 -0.34 0.00 -2.27 0.00 0.00 64.05 59.33 1iqc n THR 239 Cb 0.44 -0.27 0.12 0.00 -2.10 0.00 0.00 70.33 68.51 1iqc n THR 239 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iqc n TYR 240 N -0.86 1.04 -1.48 4.78 0.18 -1.26 -4.64 117.16 114.91 1iqc n TYR 240 Ca 0.24 0.40 -0.30 0.00 1.88 0.00 0.00 57.90 60.11 1iqc n TYR 240 Cb 0.88 -2.09 0.22 0.00 -0.38 0.00 0.00 39.34 37.97 1iqc n TYR 240 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1iqc s PRO 241 N -3.93 -0.45 0.27 -3.48 0.04 -1.26 -4.21 135.00 121.98 1iqc s PRO 241 Ca 0.73 -0.27 0.10 0.00 0.04 0.00 0.00 61.00 61.59 1iqc s PRO 241 Cb -0.30 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1iqc s PRO 241 CO 0.51 -3.17 -0.03 0.71 0.04 0.00 0.00 177.00 175.06 1iqc s TYR 242 N -3.44 2.64 0.00 0.56 1.51 0.27 -4.84 117.35 114.05 1iqc s TYR 242 Ca 0.73 -0.24 0.00 0.00 -1.01 0.00 0.00 57.07 56.55 1iqc s TYR 242 Cb -0.06 -1.17 0.00 0.00 -0.11 0.00 0.00 41.96 40.62 1iqc s TYR 242 CO 0.55 0.63 0.00 1.19 -1.11 0.00 0.00 175.55 176.81 1iqc n PHE 243 N -0.84 -0.03 0.29 2.71 0.99 -1.26 -2.32 117.46 117.01 1iqc n PHE 243 Ca -0.06 0.01 0.16 0.00 -0.00 0.00 0.00 57.45 57.56 1iqc n PHE 243 Cb 0.59 -0.19 0.83 0.00 -1.00 0.00 0.00 39.48 39.71 1iqc n PHE 243 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.76 177.88 1iqc h HIS 244 N -0.01 0.00 -0.15 1.38 2.07 -1.96 0.14 115.15 116.62 1iqc h HIS 244 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1iqc h HIS 244 Cb 0.01 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.99 1iqc h HIS 244 CO 0.00 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 174.46 1iqc n ASP 245 N -2.75 2.65 -1.53 3.10 5.75 -1.26 -0.74 116.55 121.77 1iqc n ASP 245 Ca -0.02 -1.78 -0.17 0.00 -0.01 0.00 0.00 54.79 52.81 1iqc n ASP 245 Cb 0.26 -0.09 -0.05 0.00 -1.03 0.00 0.00 41.12 40.20 1iqc n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1iqc n GLY 246 N 0.96 0.98 0.27 6.12 0.00 0.47 -4.81 105.19 109.19 1iqc n GLY 246 Ca 0.12 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1iqc n GLY 246 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1iqc h GLY 247 N 0.00 0.00 -7.35 -0.02 0.00 -1.67 -3.41 103.07 90.62 1iqc h GLY 247 Ca -0.37 0.00 -0.68 0.00 0.00 0.00 0.00 47.33 46.29 1iqc h GLY 247 CO 0.50 0.00 -0.65 0.00 0.00 0.00 0.00 176.54 176.39 1iqc s ALA 248 N -3.86 2.97 0.15 3.60 0.00 -1.06 -4.96 121.76 118.59 1iqc s ALA 248 Ca -0.01 -1.47 0.01 0.00 0.00 0.00 0.00 51.96 50.49 1iqc s ALA 248 Cb 0.11 -2.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1iqc s ALA 248 CO 0.55 -0.91 1.34 0.00 0.00 0.00 0.00 175.76 176.74 1iqc h ALA 249 N 8.17 0.45 -3.16 0.00 0.00 -1.88 0.78 119.26 123.61 1iqc h ALA 249 Ca -0.31 -0.74 -0.64 0.00 0.00 0.00 0.00 54.91 53.21 1iqc h ALA 249 Cb 1.12 -0.06 -0.16 0.00 0.00 0.00 0.00 17.79 18.69 1iqc h ALA 249 CO 0.59 0.92 -0.76 0.95 0.00 0.00 0.00 179.25 180.95 1iqc s THR 250 N -3.15 2.91 0.36 0.00 -4.23 -1.26 -4.74 115.64 105.53 1iqc s THR 250 Ca -0.03 -1.73 0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1iqc s THR 250 Cb 0.10 -2.42 0.14 0.00 1.34 0.00 0.00 72.50 71.66 1iqc s THR 250 CO 0.84 -0.08 1.87 -0.07 -0.54 0.00 0.00 174.62 176.64 1iqc h LEU 251 N 3.12 0.33 -1.55 4.79 3.38 -1.98 -2.29 115.31 121.12 1iqc h LEU 251 Ca -0.47 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.44 1iqc h LEU 251 Cb 1.20 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.84 1iqc h LEU 251 CO 0.51 0.49 0.32 -0.33 0.09 0.00 0.00 178.44 179.52 1iqc h GLU 252 N 0.33 0.60 0.25 1.13 3.07 -1.95 -0.67 114.58 117.34 1iqc h GLU 252 Ca 0.07 -0.04 -0.33 0.00 -0.50 0.00 0.00 59.36 58.56 1iqc h GLU 252 Cb 0.41 -0.14 0.04 0.00 -0.84 0.00 0.00 28.75 28.22 1iqc h GLU 252 CO 0.02 0.40 -1.44 0.37 -1.40 0.00 0.00 179.01 176.96 1iqc h GLN 253 N 0.62 0.53 -0.73 2.33 4.15 -1.85 -2.63 115.11 117.53 1iqc h GLN 253 Ca 0.18 -0.90 -0.05 0.00 0.77 0.00 0.00 58.65 58.64 1iqc h GLN 253 Cb -0.02 0.34 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 1iqc h GLN 253 CO -0.04 1.43 0.25 0.00 -1.93 0.00 0.00 178.83 178.54 1iqc h ALA 254 N 0.14 1.06 -0.19 3.38 0.00 -1.18 -0.05 119.26 122.44 1iqc h ALA 254 Ca -0.25 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1iqc h ALA 254 Cb 2.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 1iqc h ALA 254 CO 0.27 0.65 -0.04 0.28 0.00 0.00 0.00 179.25 180.41 1iqc h VAL 255 N 1.08 1.28 -0.46 0.00 2.07 -1.21 -0.19 116.25 118.81 1iqc h VAL 255 Ca 0.24 -1.00 0.02 0.00 0.82 0.00 0.00 66.70 66.78 1iqc h VAL 255 Cb 0.27 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 1iqc h VAL 255 CO -0.01 0.30 0.28 -0.08 0.02 0.00 0.00 177.57 178.08 1iqc h GLU 256 N 0.07 0.55 -0.44 1.57 4.81 -1.23 -0.83 114.58 119.08 1iqc h GLU 256 Ca 0.05 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1iqc h GLU 256 Cb 0.48 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 1iqc h GLU 256 CO 0.02 0.36 0.20 1.15 -0.73 0.00 0.00 179.01 180.01 1iqc h THR 257 N 0.56 1.19 -0.20 0.32 2.02 -0.93 -1.75 112.91 114.12 1iqc h THR 257 Ca 0.18 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1iqc h THR 257 Cb 0.00 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1iqc h THR 257 CO -0.08 0.21 0.13 0.24 0.37 0.00 0.00 175.52 176.39 1iqc h MET 258 N 0.57 0.27 -0.18 6.66 2.86 -0.65 -1.05 114.93 123.40 1iqc h MET 258 Ca 0.15 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 1iqc h MET 258 Cb 0.14 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1iqc h MET 258 CO -0.02 0.18 0.10 0.78 1.06 0.00 0.00 176.91 179.01 1iqc h GLY 259 N 0.27 0.24 0.87 8.32 0.00 -1.07 -0.39 103.07 111.32 1iqc h GLY 259 Ca 0.07 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 1iqc h GLY 259 CO -0.02 0.06 -0.46 -0.09 0.00 0.00 0.00 176.54 176.04 1iqc h ARG 260 N 0.20 -1.18 0.00 4.80 2.43 -0.64 0.10 114.38 120.09 1iqc h ARG 260 Ca 0.07 0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1iqc h ARG 260 Cb 0.00 0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 1iqc h ARG 260 CO -0.04 -0.79 -0.40 -0.84 -1.51 0.00 0.00 179.97 176.39 1iqc h ILE 261 N -1.23 0.00 0.00 1.20 3.07 -1.27 -1.04 117.51 118.25 1iqc h ILE 261 Ca -0.12 -0.70 -0.36 0.00 1.55 0.00 0.00 64.86 65.23 1iqc h ILE 261 Cb 0.96 1.46 -0.07 0.00 -0.27 0.00 0.00 36.82 38.90 1iqc h ILE 261 CO 0.17 0.00 -2.37 0.00 -1.05 0.00 0.00 178.15 174.90 1iqc n GLN 262 N -2.48 0.75 0.00 0.16 1.13 -0.16 -0.73 117.38 116.05 1iqc n GLN 262 Ca 0.03 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 1iqc n GLN 262 Cb 0.48 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.33 1iqc n GLN 262 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1iqc n LEU 263 N -2.89 1.06 -3.64 1.08 4.77 -0.32 -4.70 117.00 112.36 1iqc n LEU 263 Ca -0.36 -1.06 -0.27 0.00 -0.03 0.00 0.00 56.01 54.29 1iqc n LEU 263 Cb 1.08 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.20 1iqc n LEU 263 CO 0.36 0.26 0.08 -3.20 -1.33 0.00 0.00 177.39 173.56 1iqc n ASN 264 N -0.06 -4.96 -4.33 -1.43 5.15 0.14 -4.93 115.26 104.84 1iqc n ASN 264 Ca 0.00 -0.60 -0.32 0.00 -0.60 0.00 0.00 54.58 53.06 1iqc n ASN 264 Cb 0.05 -3.99 -0.15 0.00 -0.53 0.00 0.00 39.78 35.16 1iqc n ASN 264 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1iqc s ARG 265 N -6.34 2.56 -0.47 1.20 6.06 0.03 -4.92 118.95 117.07 1iqc s ARG 265 Ca 0.55 -0.84 -0.09 0.00 -2.50 0.00 0.00 55.73 52.86 1iqc s ARG 265 Cb -0.27 -2.24 0.12 0.00 0.06 0.00 0.00 34.95 32.62 1iqc s ARG 265 CO 0.68 0.45 0.34 -1.21 -2.50 0.00 0.00 175.30 173.06 1iqc s GLU 266 N -0.30 2.44 0.35 5.12 0.41 -1.26 -1.95 118.70 123.51 1iqc s GLU 266 Ca 0.01 -1.79 -0.25 0.00 -0.41 0.00 0.00 54.97 52.53 1iqc s GLU 266 Cb -0.13 -3.90 -0.10 0.00 -1.78 0.00 0.00 34.13 28.23 1iqc s GLU 266 CO 0.02 -1.19 0.97 -0.06 -0.49 0.00 0.00 175.26 174.52 1iqc s PHE 267 N 1.31 3.56 0.71 1.61 0.40 -1.26 -5.06 117.98 119.26 1iqc s PHE 267 Ca 0.06 1.73 -0.05 0.00 -0.60 0.00 0.00 56.93 58.07 1iqc s PHE 267 Cb -0.26 -2.97 0.09 0.00 0.51 0.00 0.00 43.02 40.40 1iqc s PHE 267 CO -0.01 -0.02 1.01 0.54 0.70 0.00 0.00 175.22 177.44 1iqc s ASN 268 N -1.65 4.57 0.21 1.36 6.03 -1.26 -4.85 114.94 119.36 1iqc s ASN 268 Ca 0.53 0.16 -0.09 0.00 -1.03 0.00 0.00 52.86 52.43 1iqc s ASN 268 Cb -0.19 -0.71 0.23 0.00 -3.03 0.00 0.00 41.25 37.55 1iqc s ASN 268 CO 0.24 -1.72 1.83 0.11 -2.03 0.00 0.00 177.10 175.52 1iqc h LYS 269 N -0.60 0.75 -0.71 3.55 1.57 -1.99 -1.66 116.57 117.48 1iqc h LYS 269 Ca -0.42 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1iqc h LYS 269 Cb 1.29 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 33.40 1iqc h LYS 269 CO 0.51 0.49 0.45 0.22 -0.57 0.00 0.00 179.45 180.56 1iqc h ASP 270 N 0.77 0.83 -0.40 0.86 3.58 -1.99 -0.53 116.42 119.54 1iqc h ASP 270 Ca 0.30 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.67 1iqc h ASP 270 Cb 0.12 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.94 1iqc h ASP 270 CO -0.15 0.62 0.10 -0.33 -2.88 0.00 0.00 179.24 176.60 1iqc h GLU 271 N 0.96 0.65 -0.14 0.28 5.08 -1.82 -2.22 114.58 117.36 1iqc h GLU 271 Ca 0.26 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1iqc h GLU 271 Cb -0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1iqc h GLU 271 CO -0.05 0.67 0.07 0.28 -1.00 0.00 0.00 179.01 178.98 1iqc h VAL 272 N 0.51 1.11 -0.77 3.13 2.07 -1.07 -1.68 116.25 119.55 1iqc h VAL 272 Ca 0.13 -0.30 0.19 0.00 0.82 0.00 0.00 66.70 67.54 1iqc h VAL 272 Cb 0.31 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1iqc h VAL 272 CO 0.00 0.10 0.53 -1.28 0.02 0.00 0.00 177.57 176.94 1iqc h SER 273 N 0.12 0.21 0.34 0.57 0.87 -0.94 0.17 113.55 114.90 1iqc h SER 273 Ca 0.05 0.02 -0.31 0.00 -1.23 0.00 0.00 61.79 60.32 1iqc h SER 273 Cb 0.09 -0.02 0.03 0.00 -0.44 0.00 0.00 62.40 62.05 1iqc h SER 273 CO -0.01 0.09 -1.34 0.11 -0.53 0.00 0.00 176.83 175.16 1iqc h LYS 274 N 0.21 0.48 -0.28 2.24 1.57 -0.87 -2.46 116.57 117.46 1iqc h LYS 274 Ca 0.38 -0.76 -0.13 0.00 -1.87 0.00 0.00 60.65 58.27 1iqc h LYS 274 Cb 1.17 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 1iqc h LYS 274 CO -0.08 1.35 -0.35 0.82 -0.57 0.00 0.00 179.45 180.62 1iqc h ILE 275 N 0.16 1.29 -0.45 1.86 2.04 -0.22 -1.29 117.51 120.89 1iqc h ILE 275 Ca -0.20 -1.49 -0.08 0.00 1.00 0.00 0.00 64.86 64.08 1iqc h ILE 275 Cb 2.03 1.45 -0.02 0.00 -0.74 0.00 0.00 36.82 39.55 1iqc h ILE 275 CO 0.24 0.48 -0.06 0.58 0.00 0.00 0.00 178.15 179.39 1iqc h VAL 276 N 0.53 1.25 -0.23 1.67 2.07 -0.79 -0.32 116.25 120.42 1iqc h VAL 276 Ca 0.05 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 1iqc h VAL 276 Cb 0.85 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1iqc h VAL 276 CO 0.07 0.38 0.12 0.00 0.02 0.00 0.00 177.57 178.17 1iqc h ALA 277 N 1.21 0.30 -0.13 1.67 0.00 -0.96 -2.57 119.26 118.78 1iqc h ALA 277 Ca 0.13 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1iqc h ALA 277 Cb 0.53 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1iqc h ALA 277 CO 0.03 -0.16 0.01 0.35 0.00 0.00 0.00 179.25 179.47 1iqc h PHE 278 N 0.26 0.01 -0.45 0.00 3.57 -0.82 -2.47 116.94 117.05 1iqc h PHE 278 Ca 0.08 0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.72 1iqc h PHE 278 Cb 0.08 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 1iqc h PHE 278 CO -0.03 -0.01 0.32 -0.07 -2.23 0.00 0.00 178.31 176.29 1iqc h LEU 279 N 0.06 0.01 -0.56 0.59 3.38 -0.89 0.86 115.31 118.77 1iqc h LEU 279 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1iqc h LEU 279 Cb 0.07 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1iqc h LEU 279 CO -0.09 0.01 0.00 0.11 0.09 0.00 0.00 178.44 178.55 1iqc h LYS 280 N 0.01 0.00 -0.11 1.13 1.57 -1.03 -2.39 116.57 115.75 1iqc h LYS 280 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1iqc h LYS 280 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1iqc h LYS 280 CO -0.01 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.12 1iqc n THR 281 N -2.47 0.14 0.60 -0.16 -2.24 0.30 -3.12 114.28 107.32 1iqc n THR 281 Ca 0.03 -0.20 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1iqc n THR 281 Cb 0.33 0.08 0.22 0.00 -2.10 0.00 0.00 70.33 68.85 1iqc n THR 281 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1iqc n LEU 282 N -0.14 3.12 -4.64 3.22 4.77 -0.90 -1.65 117.00 120.78 1iqc n LEU 282 Ca 0.13 -1.27 -0.43 0.00 -0.03 0.00 0.00 56.01 54.41 1iqc n LEU 282 Cb 0.19 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1iqc n LEU 282 CO 0.10 0.64 0.86 -0.89 -1.33 0.00 0.00 177.39 176.77 1iqc s THR 283 N -1.65 4.63 0.00 -5.08 2.01 -1.18 -1.52 115.64 112.84 1iqc s THR 283 Ca 0.36 1.71 0.00 0.00 0.31 0.00 0.00 61.69 64.07 1iqc s THR 283 Cb 0.22 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.41 1iqc s THR 283 CO 0.31 -0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1iqc n GLY 284 N 3.76 1.51 3.69 4.40 0.00 -1.26 -4.25 105.19 113.04 1iqc n GLY 284 Ca 0.10 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1iqc n GLY 284 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1iqc s ASP 285 N -1.00 6.98 0.62 1.61 -0.00 -0.24 -4.85 116.67 119.80 1iqc s ASP 285 Ca 0.00 1.97 -0.11 0.00 -0.00 0.00 0.00 52.55 54.40 1iqc s ASP 285 Cb 0.00 -2.56 -0.04 0.00 -0.00 0.00 0.00 42.92 40.32 1iqc s ASP 285 CO 0.00 -0.61 1.03 -1.10 -0.00 0.00 0.00 175.17 174.49 1iqc s GLN 286 N 2.03 3.61 0.15 8.23 -1.52 -1.26 -4.43 119.66 126.46 1iqc s GLN 286 Ca 0.59 0.75 -0.33 0.00 -1.95 0.00 0.00 55.36 54.43 1iqc s GLN 286 Cb -0.28 -2.08 -0.17 0.00 -0.22 0.00 0.00 33.01 30.26 1iqc s GLN 286 CO 0.25 -0.56 0.92 -2.30 -0.25 0.00 0.00 175.29 173.35 1iqc n PRO 287 N -2.73 0.52 -3.73 2.91 -0.02 -1.26 -4.95 135.00 125.75 1iqc n PRO 287 Ca 0.06 0.19 -0.29 0.00 -2.02 0.00 0.00 63.50 61.44 1iqc n PRO 287 Cb 0.54 -1.52 -0.13 0.00 -0.02 0.00 0.00 33.50 32.38 1iqc n PRO 287 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1iqc s ASP 288 N -0.36 3.64 0.18 2.55 2.15 -1.26 -5.08 116.67 118.49 1iqc s ASP 288 Ca 0.74 -2.93 -0.11 0.00 0.43 0.00 0.00 52.55 50.68 1iqc s ASP 288 Cb -0.97 -1.12 -0.00 0.00 -0.30 0.00 0.00 42.92 40.53 1iqc s ASP 288 CO 0.55 -0.22 0.34 0.72 -0.17 0.00 0.00 175.17 176.40 1iqc s PHE 289 N -0.05 0.33 0.41 -5.34 -0.12 -1.26 -5.16 117.98 106.78 1iqc s PHE 289 Ca 0.21 -0.68 -0.23 0.00 -0.05 0.00 0.00 56.93 56.17 1iqc s PHE 289 Cb -0.18 0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.16 1iqc s PHE 289 CO -0.05 -0.78 1.01 0.15 -0.05 0.00 0.00 175.22 175.49 1iqc s LYS 290 N -3.96 4.19 0.10 1.99 1.02 -1.26 -4.96 119.74 116.85 1iqc s LYS 290 Ca 0.17 1.38 -0.33 0.00 0.02 0.00 0.00 55.97 57.21 1iqc s LYS 290 Cb 0.02 -2.44 -0.12 0.00 -0.52 0.00 0.00 37.83 34.77 1iqc s LYS 290 CO 0.01 -0.10 1.74 -0.11 -0.92 0.00 0.00 175.35 175.97 1iqc n LEU 291 N -0.23 3.54 -4.71 3.17 0.00 -1.26 -4.88 117.00 112.63 1iqc n LEU 291 Ca 0.06 1.03 -0.42 0.00 0.00 0.00 0.00 56.01 56.67 1iqc n LEU 291 Cb 0.51 -1.46 -0.03 0.00 0.00 0.00 0.00 43.42 42.44 1iqc n LEU 291 CO 0.42 -0.05 1.12 -2.16 0.00 0.00 0.00 177.39 176.72 1iqc s PRO 292 N 2.24 4.29 -0.32 1.96 0.04 -1.26 -5.00 135.00 136.95 1iqc s PRO 292 Ca 0.83 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.82 1iqc s PRO 292 Cb -0.61 -3.33 -0.02 0.00 0.04 0.00 0.00 34.50 30.58 1iqc s PRO 292 CO 0.40 -0.52 0.44 0.42 0.04 0.00 0.00 177.00 177.78 1iqc s ILE 293 N 1.50 5.10 0.17 0.56 -1.09 -1.26 -5.07 121.20 121.12 1iqc s ILE 293 Ca 0.66 0.38 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 1iqc s ILE 293 Cb -0.37 -3.84 -0.05 0.00 -1.58 0.00 0.00 42.46 36.62 1iqc s ILE 293 CO 0.30 -0.05 0.39 -0.76 -1.23 0.00 0.00 174.94 173.59 1iqc s LEU 294 N 2.20 4.24 0.45 2.97 1.43 -1.26 -5.08 118.68 123.64 1iqc s LEU 294 Ca 0.16 0.56 -0.24 0.00 -1.03 0.00 0.00 54.13 53.58 1iqc s LEU 294 Cb -0.16 -3.30 -0.08 0.00 0.03 0.00 0.00 46.19 42.69 1iqc s LEU 294 CO 0.12 0.01 1.30 -2.84 0.23 0.00 0.00 176.35 175.16 1iqc s PRO 295 N -2.87 3.72 0.25 1.29 0.02 -1.26 -4.99 135.00 131.16 1iqc s PRO 295 Ca 0.41 2.11 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 1iqc s PRO 295 Cb -0.12 -2.57 -0.09 0.00 0.02 0.00 0.00 34.50 31.75 1iqc s PRO 295 CO 0.26 -0.68 1.01 -1.25 -0.33 0.00 0.00 177.00 176.01 1iqc s PRO 296 N -2.50 4.76 0.47 5.54 0.04 -1.26 -5.03 135.00 137.02 1iqc s PRO 296 Ca 0.62 1.62 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1iqc s PRO 296 Cb -0.37 -3.25 -0.07 0.00 0.04 0.00 0.00 34.50 30.85 1iqc s PRO 296 CO 0.46 0.37 1.16 -1.12 0.04 0.00 0.00 177.00 177.91 1iqc s SER 297 N -0.96 6.13 0.09 6.66 0.01 -1.26 -4.92 113.70 119.45 1iqc s SER 297 Ca 0.43 2.27 0.00 0.00 1.31 0.00 0.00 55.95 59.97 1iqc s SER 297 Cb -0.28 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.35 1iqc s SER 297 CO 0.35 -0.95 0.02 -0.46 0.41 0.00 0.00 173.24 172.62 1iqc n ASN 298 N -0.60 1.96 0.21 2.44 6.94 -1.26 -4.97 115.26 119.98 1iqc n ASN 298 Ca 0.08 -1.37 0.15 0.00 -0.02 0.00 0.00 54.58 53.42 1iqc n ASN 298 Cb 0.49 0.04 0.72 0.00 -2.36 0.00 0.00 39.78 38.67 1iqc n ASN 298 CO 0.00 0.00 0.00 0.78 -1.03 0.00 0.00 177.26 177.01 1iqc h ASN 299 N 0.18 0.00 0.10 0.53 -0.26 -1.96 -1.13 115.58 113.04 1iqc h ASN 299 Ca -0.07 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1iqc h ASN 299 Cb 0.22 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.48 1iqc h ASN 299 CO 0.11 0.00 -0.32 0.47 -1.06 0.00 0.00 177.43 176.63 1iqc n ASP 300 N -2.56 1.59 -4.65 5.81 10.43 -1.26 -4.88 116.55 121.03 1iqc n ASP 300 Ca -0.01 -1.26 -0.42 0.00 2.57 0.00 0.00 54.79 55.68 1iqc n ASP 300 Cb 0.13 0.26 -0.04 0.00 1.84 0.00 0.00 41.12 43.31 1iqc n ASP 300 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1iqc s THR 301 N -2.43 4.84 0.00 -3.53 2.01 -0.43 -4.84 115.64 111.27 1iqc s THR 301 Ca 0.23 1.59 -0.33 0.00 0.31 0.00 0.00 61.69 63.49 1iqc s THR 301 Cb 0.19 -4.13 -0.12 0.00 0.01 0.00 0.00 72.50 68.45 1iqc s THR 301 CO 0.52 -0.05 1.81 -0.81 -0.69 0.00 0.00 174.62 175.40 1iqc n PRO 302 N 5.82 2.29 -1.67 4.92 -0.04 -1.26 -4.85 135.00 140.20 1iqc n PRO 302 Ca 0.05 0.83 -0.38 0.00 -0.04 0.00 0.00 63.50 63.97 1iqc n PRO 302 Cb 0.48 -2.68 0.06 0.00 -0.04 0.00 0.00 33.50 31.32 1iqc n PRO 302 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1iqc n ARG 303 N 5.81 1.09 -2.08 0.54 1.74 -1.26 -4.98 116.66 117.52 1iqc n ARG 303 Ca 0.21 0.42 -0.34 0.00 -0.77 0.00 0.00 57.85 57.37 1iqc n ARG 303 Cb 0.31 -2.35 0.02 0.00 -1.02 0.00 0.00 32.46 29.41 1iqc n ARG 303 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1iqc s SER 304 N -1.24 5.58 -0.59 0.55 0.01 -1.26 -5.02 113.70 111.73 1iqc s SER 304 Ca 0.78 2.03 0.05 0.00 1.31 0.00 0.00 55.95 60.11 1iqc s SER 304 Cb -0.41 -2.56 0.17 0.00 0.21 0.00 0.00 66.02 63.44 1iqc s SER 304 CO 0.45 -1.31 0.45 0.00 0.41 0.00 0.00 173.24 173.24 1iqc n GLN 305 N -1.78 1.26 0.08 12.44 6.02 -0.70 -4.95 117.38 129.75 1iqc n GLN 305 Ca 0.10 -4.01 -0.08 0.00 -0.01 0.00 0.00 57.00 53.00 1iqc n GLN 305 Cb 0.52 -2.05 -0.09 0.00 1.02 0.00 0.00 30.24 29.64 1iqc n GLN 305 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1iqc h PRO 306 N 5.39 0.07 0.00 -1.09 0.13 -1.80 -3.33 132.00 131.38 1iqc h PRO 306 Ca 0.19 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 1iqc h PRO 306 Cb 0.81 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.98 1iqc h PRO 306 CO 0.59 1.01 -0.92 0.66 -0.23 0.00 0.00 178.00 179.12 1iqc n TYR 307 N -3.45 0.00 1.25 1.56 4.02 -1.26 -4.80 117.16 114.48 1iqc n TYR 307 Ca -0.02 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.00 1iqc n TYR 307 Cb 0.92 -0.10 0.31 0.00 -0.02 0.00 0.00 39.34 40.45 1iqc n TYR 307 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24