#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqj n TYR 12 N 0.00 0.20 -0.29 2.89 4.01 -1.26 -4.69 117.16 118.02 2iqj n TYR 12 Ca 0.00 -0.33 0.06 0.00 -0.16 0.00 0.00 57.90 57.48 2iqj n TYR 12 Cb 0.00 -0.02 0.28 0.00 -0.31 0.00 0.00 39.34 39.29 2iqj n TYR 12 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2iqj h GLN 13 N 1.38 0.90 -0.10 -0.72 7.50 -1.98 -1.77 115.11 120.31 2iqj h GLN 13 Ca 0.00 -0.05 -0.00 0.00 0.50 0.00 0.00 58.65 59.09 2iqj h GLN 13 Cb 0.53 -0.20 -0.00 0.00 0.05 0.00 0.00 27.48 27.86 2iqj h GLN 13 CO 0.00 0.59 0.05 0.00 -1.50 0.00 0.00 178.83 177.97 2iqj h ALA 14 N 1.54 0.13 -0.55 3.87 0.00 -1.99 0.16 119.26 122.42 2iqj h ALA 14 Ca 0.41 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.26 2iqj h ALA 14 Cb 0.35 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2iqj h ALA 14 CO -0.17 -0.31 0.35 0.28 0.00 0.00 0.00 179.25 179.40 2iqj h VAL 15 N 0.05 1.11 -0.67 0.00 2.07 -1.77 -1.44 116.25 115.60 2iqj h VAL 15 Ca 0.03 -0.25 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 2iqj h VAL 15 Cb 0.11 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2iqj h VAL 15 CO -0.00 0.13 0.23 -0.07 0.02 0.00 0.00 177.57 177.88 2iqj h LEU 16 N 0.72 0.96 -0.29 2.57 3.38 -1.20 -1.75 115.31 119.70 2iqj h LEU 16 Ca 0.21 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2iqj h LEU 16 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 2iqj h LEU 16 CO -0.07 0.90 0.07 0.00 0.09 0.00 0.00 178.44 179.44 2iqj h ALA 17 N 1.10 0.31 -0.31 1.53 0.00 -0.30 0.79 119.26 122.37 2iqj h ALA 17 Ca 0.22 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2iqj h ALA 17 Cb 0.27 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2iqj h ALA 17 CO -0.01 -0.34 -0.05 -0.97 0.00 0.00 0.00 179.25 177.88 2iqj h ASN 18 N 0.19 0.48 0.26 0.00 -1.24 -0.99 -0.64 115.58 113.63 2iqj h ASN 18 Ca 0.13 -0.10 -0.13 0.00 0.71 0.00 0.00 56.30 56.91 2iqj h ASN 18 Cb 0.12 -0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 2iqj h ASN 18 CO -0.16 0.58 -0.49 -0.07 -1.29 0.00 0.00 177.43 176.01 2iqj h LEU 19 N 0.47 0.29 0.00 0.34 3.38 -0.92 -2.98 115.31 115.90 2iqj h LEU 19 Ca 0.10 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2iqj h LEU 19 Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2iqj h LEU 19 CO 0.02 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.47 2iqj n LEU 20 N -3.96 0.00 0.10 1.67 4.77 0.24 -2.48 117.00 117.33 2iqj n LEU 20 Ca -0.02 0.27 0.03 0.00 -0.03 0.00 0.00 56.01 56.26 2iqj n LEU 20 Cb 0.54 -0.27 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 2iqj n LEU 20 CO 0.43 -0.07 0.16 -0.07 -1.33 0.00 0.00 177.39 176.51 2iqj h LEU 21 N 0.00 0.00 -9.58 2.23 3.38 -1.29 -3.39 115.31 106.66 2iqj h LEU 21 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 2iqj h LEU 21 Cb 0.20 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.01 2iqj h LEU 21 CO 0.00 0.45 0.80 -0.62 0.09 0.00 0.00 178.44 179.16 2iqj n GLU 22 N -3.03 2.29 -0.16 1.13 1.02 -1.04 -4.89 120.64 115.96 2iqj n GLU 22 Ca -0.02 0.82 -0.02 0.00 -0.02 0.00 0.00 57.16 57.91 2iqj n GLU 22 Cb 0.74 -2.58 0.07 0.00 -0.02 0.00 0.00 31.44 29.65 2iqj n GLU 22 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2iqj h GLU 23 N 5.60 0.27 -0.16 3.49 4.39 -1.90 -0.30 114.58 125.97 2iqj h GLU 23 Ca -0.45 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.28 2iqj h GLU 23 Cb 1.25 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2iqj h GLU 23 CO 0.86 0.18 0.16 -0.44 -1.16 0.00 0.00 179.01 178.62 2iqj h ASP 24 N 0.28 0.00 -0.18 1.42 3.32 -1.96 -2.24 116.42 117.06 2iqj h ASP 24 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2iqj h ASP 24 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 2iqj h ASP 24 CO -0.30 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.81 2iqj n ASN 25 N -3.91 1.74 -0.45 6.45 3.02 -0.13 -3.61 115.26 118.37 2iqj n ASN 25 Ca 0.01 -1.73 0.12 0.00 -0.03 0.00 0.00 54.58 52.95 2iqj n ASN 25 Cb 0.28 -0.11 0.47 0.00 -0.61 0.00 0.00 39.78 39.81 2iqj n ASN 25 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2iqj n LYS 26 N 0.37 1.60 -3.93 3.52 5.02 -0.84 -4.49 118.16 119.41 2iqj n LYS 26 Ca 0.16 -0.90 -0.12 0.00 -2.02 0.00 0.00 58.31 55.44 2iqj n LYS 26 Cb 0.34 -1.42 -0.13 0.00 -0.02 0.00 0.00 35.03 33.79 2iqj n LYS 26 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2iqj s PHE 27 N -1.89 0.13 0.24 2.13 0.08 -1.24 -0.35 117.98 117.08 2iqj s PHE 27 Ca 0.35 -0.15 -0.31 0.00 0.12 0.00 0.00 56.93 56.93 2iqj s PHE 27 Cb 0.19 -0.09 -0.13 0.00 -0.57 0.00 0.00 43.02 42.42 2iqj s PHE 27 CO 0.29 -0.05 1.51 0.00 -0.10 0.00 0.00 175.22 176.87 2iqj h ALA 29 N 4.88 1.97 0.00 0.00 0.00 -1.63 -0.06 119.26 124.42 2iqj h ALA 29 Ca -0.45 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.01 2iqj h ALA 29 Cb 1.25 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 2iqj h ALA 29 CO 0.81 0.01 -2.48 -0.25 0.00 0.00 0.00 179.25 177.33 2iqj n ASP 30 N -4.50 1.97 -0.11 0.00 8.00 -1.26 -4.71 116.55 115.94 2iqj n ASP 30 Ca 0.01 0.20 0.06 0.00 0.71 0.00 0.00 54.79 55.76 2iqj n ASP 30 Cb 0.15 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.50 2iqj n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iqj n GLN 32 N -0.87 -1.28 -1.99 0.00 6.02 -0.04 -4.91 117.38 114.32 2iqj n GLN 32 Ca 0.03 0.98 -0.36 0.00 -0.01 0.00 0.00 57.00 57.63 2iqj n GLN 32 Cb 0.21 -5.21 0.03 0.00 1.02 0.00 0.00 30.24 26.30 2iqj n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2iqj s SER 33 N -2.67 5.25 0.34 1.08 1.04 -1.26 -4.24 113.70 113.24 2iqj s SER 33 Ca 0.00 2.45 -0.23 0.00 0.48 0.00 0.00 55.95 58.65 2iqj s SER 33 Cb 0.00 -2.61 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 2iqj s SER 33 CO 0.00 -1.56 0.91 -1.59 0.98 0.00 0.00 173.24 171.98 2iqj s LYS 34 N -3.21 4.42 -0.72 4.02 -2.85 -1.26 -0.15 119.74 119.98 2iqj s LYS 34 Ca 0.76 1.19 -0.03 0.00 -1.00 0.00 0.00 55.97 56.89 2iqj s LYS 34 Cb -0.32 -2.62 -0.03 0.00 -2.06 0.00 0.00 37.83 32.80 2iqj s LYS 34 CO 0.36 0.20 0.62 0.41 0.10 0.00 0.00 175.35 177.04 2iqj n GLY 35 N 0.20 -0.32 3.77 0.59 0.00 0.52 -4.88 105.19 105.07 2iqj n GLY 35 Ca 0.03 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2iqj n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iqj s PRO 36 N -4.24 4.20 -0.11 1.61 0.04 -1.26 -4.93 135.00 130.31 2iqj s PRO 36 Ca 0.20 2.43 0.15 0.00 0.04 0.00 0.00 61.00 63.82 2iqj s PRO 36 Cb -0.03 -3.03 0.24 0.00 0.04 0.00 0.00 34.50 31.73 2iqj s PRO 36 CO 0.48 -0.44 1.13 0.54 0.04 0.00 0.00 177.00 178.74 2iqj n ARG 37 N 1.20 1.04 -4.32 4.56 5.12 -1.20 -4.82 116.66 118.23 2iqj n ARG 37 Ca 0.03 -2.31 -0.17 0.00 -1.93 0.00 0.00 57.85 53.47 2iqj n ARG 37 Cb 0.40 -1.30 -0.10 0.00 -1.16 0.00 0.00 32.46 30.29 2iqj n ARG 37 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2iqj s TRP 38 N -2.33 1.54 -0.08 -1.55 0.52 -0.60 -1.37 118.94 115.08 2iqj s TRP 38 Ca 0.26 -1.05 -0.19 0.00 0.02 0.00 0.00 56.10 55.15 2iqj s TRP 38 Cb 0.23 -0.91 0.04 0.00 -1.15 0.00 0.00 33.47 31.68 2iqj s TRP 38 CO 0.02 -0.19 0.44 0.00 0.02 0.00 0.00 176.95 177.24 2iqj s ALA 39 N -3.58 -1.12 -0.46 0.98 0.00 0.75 -0.84 121.76 117.48 2iqj s ALA 39 Ca 0.33 0.89 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 2iqj s ALA 39 Cb 0.07 -0.24 0.05 0.00 0.00 0.00 0.00 23.12 22.99 2iqj s ALA 39 CO 0.11 -0.27 0.50 0.45 0.00 0.00 0.00 175.76 176.54 2iqj s SER 40 N -0.73 6.20 0.15 0.00 0.15 -0.57 0.02 113.70 118.92 2iqj s SER 40 Ca -0.08 -0.89 0.12 0.00 0.70 0.00 0.00 55.95 55.80 2iqj s SER 40 Cb -0.03 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.94 2iqj s SER 40 CO 0.04 -0.70 1.19 4.11 1.20 0.00 0.00 173.24 179.08 2iqj h TRP 41 N 8.83 0.00 0.02 3.44 5.08 -1.50 0.35 115.95 132.16 2iqj h TRP 41 Ca -0.27 0.00 -0.21 0.00 1.08 0.00 0.00 58.89 59.49 2iqj h TRP 41 Cb 1.10 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 2iqj h TRP 41 CO 0.67 0.73 -0.93 -2.95 -1.28 0.00 0.00 178.44 174.68 2iqj h ASN 42 N 0.00 0.27 -0.01 0.11 -1.07 -1.93 -3.20 115.58 109.75 2iqj h ASN 42 Ca -0.07 -0.23 -0.12 0.00 0.07 0.00 0.00 56.30 55.95 2iqj h ASN 42 Cb 1.61 -0.08 0.01 0.00 -2.07 0.00 0.00 38.32 37.79 2iqj h ASN 42 CO 0.08 1.06 -0.48 0.40 0.07 0.00 0.00 177.43 178.56 2iqj h ILE 43 N 0.10 1.46 0.00 6.14 2.04 -1.83 -3.49 117.51 121.93 2iqj h ILE 43 Ca -0.05 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.79 2iqj h ILE 43 Cb 1.58 2.63 0.00 0.00 -0.74 0.00 0.00 36.82 40.29 2iqj h ILE 43 CO 0.14 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.48 2iqj n GLY 44 N 1.04 1.90 3.41 5.37 0.00 0.12 -4.88 105.19 112.15 2iqj n GLY 44 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2iqj n GLY 44 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2iqj s VAL 45 N -2.00 2.59 -0.14 1.61 -7.23 -0.69 -0.30 120.40 114.24 2iqj s VAL 45 Ca 0.00 -1.08 -0.17 0.00 -1.81 0.00 0.00 61.98 58.93 2iqj s VAL 45 Cb 0.00 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 2iqj s VAL 45 CO 0.00 0.47 0.41 -0.36 -0.31 0.00 0.00 175.10 175.31 2iqj s PHE 46 N -0.78 3.48 0.09 2.82 0.08 -1.26 -1.51 117.98 120.89 2iqj s PHE 46 Ca 0.12 0.76 0.02 0.00 0.12 0.00 0.00 56.93 57.95 2iqj s PHE 46 Cb -0.10 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.82 2iqj s PHE 46 CO 0.02 0.16 -0.08 0.96 -0.10 0.00 0.00 175.22 176.19 2iqj s ILE 47 N 0.68 0.73 0.89 0.64 -4.36 -0.02 -1.61 121.20 118.16 2iqj s ILE 47 Ca 0.22 -1.74 -0.12 0.00 -0.26 0.00 0.00 60.65 58.75 2iqj s ILE 47 Cb -0.14 -1.45 0.12 0.00 1.25 0.00 0.00 42.46 42.24 2iqj s ILE 47 CO 0.08 -0.73 1.12 0.00 0.24 0.00 0.00 174.94 175.65 2iqj h ILE 49 N -1.42 1.19 -0.24 0.00 2.10 -1.95 0.12 117.51 117.31 2iqj h ILE 49 Ca -0.50 -0.69 -0.04 0.00 1.08 0.00 0.00 64.86 64.71 2iqj h ILE 49 Cb 1.31 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.82 2iqj h ILE 49 CO 0.61 0.25 0.01 -0.09 -1.08 0.00 0.00 178.15 177.85 2iqj h ARG 50 N 0.60 0.42 0.00 2.19 1.12 -2.00 -1.88 114.38 114.83 2iqj h ARG 50 Ca 0.14 -0.13 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 2iqj h ARG 50 Cb 0.25 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.15 2iqj h ARG 50 CO -0.00 0.58 -0.59 0.00 -3.11 0.00 0.00 179.97 176.85 2iqj h ALA 52 N 1.41 1.32 -0.64 0.00 0.00 -0.66 -0.23 119.26 120.45 2iqj h ALA 52 Ca -0.01 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2iqj h ALA 52 Cb 1.06 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 2iqj h ALA 52 CO 0.08 0.60 0.40 0.78 0.00 0.00 0.00 179.25 181.11 2iqj h GLY 53 N 1.19 0.91 0.85 0.00 0.00 -0.97 -0.23 103.07 104.83 2iqj h GLY 53 Ca 0.31 -0.31 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2iqj h GLY 53 CO -0.06 0.27 0.05 -2.22 0.00 0.00 0.00 176.54 174.58 2iqj h ILE 54 N 0.80 1.19 -0.53 2.60 2.04 -1.21 -2.98 117.51 119.43 2iqj h ILE 54 Ca 0.25 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.58 2iqj h ILE 54 Cb -0.01 1.26 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 2iqj h ILE 54 CO -0.09 0.19 0.14 0.45 0.00 0.00 0.00 178.15 178.83 2iqj h HIS 55 N 0.11 0.23 -0.78 1.37 3.86 -0.85 -2.01 115.15 117.07 2iqj h HIS 55 Ca 0.06 0.03 0.13 0.00 -1.16 0.00 0.00 60.37 59.43 2iqj h HIS 55 Cb 0.25 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.60 2iqj h HIS 55 CO 0.00 0.03 0.36 -0.09 0.86 0.00 0.00 177.93 179.09 2iqj h ARG 56 N 0.29 0.52 0.00 2.45 2.43 -1.00 -0.32 114.38 118.74 2iqj h ARG 56 Ca 0.26 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 2iqj h ARG 56 Cb 0.34 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2iqj h ARG 56 CO -0.32 0.35 0.00 0.09 -1.51 0.00 0.00 179.97 178.58 2iqj n ASN 57 N -4.93 0.60 0.15 -3.80 3.02 -0.81 -2.69 115.26 106.81 2iqj n ASN 57 Ca 0.15 0.60 0.01 0.00 -0.03 0.00 0.00 54.58 55.31 2iqj n ASN 57 Cb 0.40 -0.74 0.33 0.00 -0.61 0.00 0.00 39.78 39.15 2iqj n ASN 57 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2iqj h LEU 58 N 0.00 0.09 0.00 3.41 3.38 -0.49 -3.49 115.31 118.21 2iqj h LEU 58 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iqj h LEU 58 Cb 0.53 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2iqj h LEU 58 CO 0.00 0.43 0.00 0.61 0.09 0.00 0.00 178.44 179.57 2iqj n GLY 59 N -0.46 2.57 0.09 0.83 0.00 -1.10 -4.68 105.19 102.44 2iqj n GLY 59 Ca -0.02 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.29 2iqj n GLY 59 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2iqj n VAL 60 N 1.04 0.70 0.25 1.61 0.24 -1.25 -1.19 118.33 119.73 2iqj n VAL 60 Ca 0.00 0.06 0.12 0.00 -2.04 0.00 0.00 64.34 62.48 2iqj n VAL 60 Cb 0.00 -0.91 0.61 0.00 -1.47 0.00 0.00 33.84 32.08 2iqj n VAL 60 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 2iqj h HIS 61 N 0.00 0.00 0.00 6.34 -0.00 -2.00 -3.35 115.15 116.14 2iqj h HIS 61 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 60.37 60.00 2iqj h HIS 61 Cb 0.47 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.82 2iqj h HIS 61 CO 0.00 0.16 -2.23 -0.89 -0.00 0.00 0.00 177.93 174.98 2iqj n ILE 62 N -3.49 1.21 -3.80 6.12 5.41 -0.63 -5.05 119.36 119.13 2iqj n ILE 62 Ca -0.01 -0.32 -0.13 0.00 1.00 0.00 0.00 62.75 63.29 2iqj n ILE 62 Cb 0.33 -1.75 -0.13 0.00 -0.71 0.00 0.00 39.64 37.37 2iqj n ILE 62 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2iqj s SER 63 N -6.91 -0.14 -0.22 4.38 0.15 -0.33 -4.69 113.70 105.94 2iqj s SER 63 Ca -0.31 0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.65 2iqj s SER 63 Cb 0.11 0.26 0.05 0.00 -1.71 0.00 0.00 66.02 64.73 2iqj s SER 63 CO 0.39 -0.08 -0.10 -0.13 1.20 0.00 0.00 173.24 174.52 2iqj s ARG 64 N 0.41 2.07 -0.19 5.44 0.52 -1.26 -3.76 118.95 122.18 2iqj s ARG 64 Ca -0.03 -1.03 -0.09 0.00 -0.52 0.00 0.00 55.73 54.07 2iqj s ARG 64 Cb -0.04 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2iqj s ARG 64 CO -0.02 -0.49 0.09 0.08 0.02 0.00 0.00 175.30 174.98 2iqj s VAL 65 N 1.30 5.05 0.14 3.52 1.01 -1.26 -1.42 120.40 128.74 2iqj s VAL 65 Ca -0.04 0.06 0.07 0.00 0.00 0.00 0.00 61.98 62.07 2iqj s VAL 65 Cb -0.18 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 2iqj s VAL 65 CO -0.07 0.44 -0.15 -0.54 0.00 0.00 0.00 175.10 174.78 2iqj s LYS 66 N 0.44 1.12 0.10 2.72 1.02 0.10 -4.98 119.74 120.27 2iqj s LYS 66 Ca 0.05 -1.31 -0.30 0.00 0.02 0.00 0.00 55.97 54.44 2iqj s LYS 66 Cb -0.12 -1.05 -0.06 0.00 -0.52 0.00 0.00 37.83 36.08 2iqj s LYS 66 CO -0.00 0.21 0.96 0.45 -0.92 0.00 0.00 175.35 176.04 2iqj s SER 67 N -2.55 7.48 0.41 2.83 0.15 -1.26 -0.18 113.70 120.58 2iqj s SER 67 Ca 0.12 1.78 0.07 0.00 0.70 0.00 0.00 55.95 58.61 2iqj s SER 67 Cb -0.05 -2.58 0.84 0.00 -1.71 0.00 0.00 66.02 62.52 2iqj s SER 67 CO 0.04 -0.08 2.05 0.58 1.20 0.00 0.00 173.24 177.03 2iqj h VAL 68 N 4.11 1.11 0.00 4.45 2.07 -1.54 -2.94 116.25 123.51 2iqj h VAL 68 Ca -0.43 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2iqj h VAL 68 Cb 1.21 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2iqj h VAL 68 CO 0.72 0.11 -0.88 -0.46 0.02 0.00 0.00 177.57 177.08 2iqj n ASN 69 N -4.46 2.46 -0.08 0.57 0.23 -1.26 -4.69 115.26 108.04 2iqj n ASN 69 Ca 0.03 -0.23 -0.06 0.00 -0.53 0.00 0.00 54.58 53.79 2iqj n ASN 69 Cb 0.07 1.16 -0.15 0.00 -2.08 0.00 0.00 39.78 38.78 2iqj n ASN 69 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 2iqj n LEU 70 N -1.48 0.00 -4.87 -4.53 4.77 -1.26 -4.98 117.00 104.65 2iqj n LEU 70 Ca -0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 56.01 55.66 2iqj n LEU 70 Cb 0.12 0.39 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2iqj n LEU 70 CO 0.11 0.39 0.33 -1.81 -1.33 0.00 0.00 177.39 175.09 2iqj s ASP 71 N -5.16 6.63 0.16 -1.43 1.01 -1.11 -4.99 116.67 111.78 2iqj s ASP 71 Ca -0.09 1.07 -0.26 0.00 0.71 0.00 0.00 52.55 53.98 2iqj s ASP 71 Cb 0.07 -2.29 -0.08 0.00 1.01 0.00 0.00 42.92 41.63 2iqj s ASP 71 CO 0.78 -0.20 0.80 -1.10 0.21 0.00 0.00 175.17 175.65 2iqj s GLN 72 N -3.18 4.60 0.07 8.23 -0.21 -1.26 -4.88 119.66 123.02 2iqj s GLN 72 Ca 0.50 1.19 0.07 0.00 0.02 0.00 0.00 55.36 57.15 2iqj s GLN 72 Cb -0.11 -3.28 -0.04 0.00 1.00 0.00 0.00 33.01 30.59 2iqj s GLN 72 CO 0.23 0.52 -0.16 -1.58 -2.12 0.00 0.00 175.29 172.18 2iqj s TRP 73 N -0.99 2.61 0.41 0.91 0.52 -1.26 -5.08 118.94 116.06 2iqj s TRP 73 Ca 0.37 -0.22 -0.08 0.00 0.02 0.00 0.00 56.10 56.19 2iqj s TRP 73 Cb -0.23 -1.44 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 2iqj s TRP 73 CO 0.27 0.32 0.74 0.95 0.02 0.00 0.00 176.95 179.25 2iqj s THR 74 N -1.03 4.86 0.33 2.01 -4.23 -1.26 -4.94 115.64 111.38 2iqj s THR 74 Ca 0.17 0.40 0.09 0.00 -1.18 0.00 0.00 61.69 61.16 2iqj s THR 74 Cb -0.11 -3.77 0.32 0.00 1.34 0.00 0.00 72.50 70.28 2iqj s THR 74 CO 0.08 -0.59 1.79 -0.61 -0.54 0.00 0.00 174.62 174.75 2iqj h GLN 75 N 1.02 0.67 -0.30 3.99 4.15 -2.00 -1.89 115.11 120.75 2iqj h GLN 75 Ca -0.47 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 58.76 2iqj h GLN 75 Cb 1.19 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.73 2iqj h GLN 75 CO 0.63 0.44 -0.42 0.93 -1.93 0.00 0.00 178.83 178.48 2iqj h GLU 76 N 0.69 0.75 -0.54 1.69 3.07 -1.99 -1.12 114.58 117.12 2iqj h GLU 76 Ca 0.57 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2iqj h GLU 76 Cb 0.99 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.89 2iqj h GLU 76 CO -0.35 1.02 0.11 1.96 -1.40 0.00 0.00 179.01 180.36 2iqj h GLN 77 N 0.60 0.89 -0.27 2.33 4.20 -1.81 -0.68 115.11 120.37 2iqj h GLN 77 Ca 0.04 -0.22 0.03 0.00 0.06 0.00 0.00 58.65 58.56 2iqj h GLN 77 Cb 0.97 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2iqj h GLN 77 CO 0.09 0.84 0.09 0.82 -0.67 0.00 0.00 178.83 180.01 2iqj h ILE 78 N 0.78 0.92 -1.00 2.54 1.08 -1.27 -2.80 117.51 117.77 2iqj h ILE 78 Ca 0.17 -0.07 0.12 0.00 -0.39 0.00 0.00 64.86 64.69 2iqj h ILE 78 Cb 0.37 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 34.73 2iqj h ILE 78 CO 0.01 0.04 0.63 1.56 -0.69 0.00 0.00 178.15 179.69 2iqj h GLN 79 N 0.21 0.94 -0.71 2.37 4.20 -0.83 -0.69 115.11 120.60 2iqj h GLN 79 Ca 0.12 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.86 2iqj h GLN 79 Cb 0.09 -0.21 -0.07 0.00 0.30 0.00 0.00 27.48 27.59 2iqj h GLN 79 CO -0.13 0.62 0.37 0.00 -0.67 0.00 0.00 178.83 179.03 2iqj h MET 81 N 0.64 0.49 -0.50 0.00 2.86 -1.04 -2.95 114.93 114.44 2iqj h MET 81 Ca 0.34 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2iqj h MET 81 Cb 0.33 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2iqj h MET 81 CO -0.25 0.89 -0.02 1.96 1.06 0.00 0.00 176.91 180.56 2iqj h GLN 82 N 0.39 0.84 -0.00 1.72 4.20 -0.72 -2.92 115.11 118.61 2iqj h GLN 82 Ca 0.01 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2iqj h GLN 82 Cb 1.04 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2iqj h GLN 82 CO 0.09 0.86 -0.07 0.39 -0.67 0.00 0.00 178.83 179.43 2iqj n GLU 83 N -4.20 0.71 0.00 1.46 1.02 -0.42 -4.73 120.64 114.48 2iqj n GLU 83 Ca 0.02 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2iqj n GLU 83 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2iqj n GLU 83 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 2iqj n MET 84 N -0.99 0.00 0.00 3.49 1.56 -1.12 -5.04 117.12 115.02 2iqj n MET 84 Ca 0.16 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.59 2iqj n MET 84 Cb 0.25 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.62 2iqj n MET 84 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2iqj n GLY 85 N 2.35 -1.64 0.16 -5.12 0.00 0.59 -4.27 105.19 97.25 2iqj n GLY 85 Ca 0.00 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.47 2iqj n GLY 85 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2iqj h ASN 86 N 0.00 0.11 0.57 1.61 4.21 -1.84 -0.48 115.58 119.76 2iqj h ASN 86 Ca 0.00 -0.06 -0.03 0.00 1.21 0.00 0.00 56.30 57.43 2iqj h ASN 86 Cb 0.00 -0.03 0.01 0.00 -1.12 0.00 0.00 38.32 37.17 2iqj h ASN 86 CO 0.00 0.63 -0.27 1.23 -1.29 0.00 0.00 177.43 177.73 2iqj h GLY 87 N 1.53 -0.80 1.38 2.83 0.00 -1.84 -1.38 103.07 104.79 2iqj h GLY 87 Ca -0.00 0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2iqj h GLY 87 CO 0.08 -0.29 0.37 1.70 0.00 0.00 0.00 176.54 178.40 2iqj h LYS 88 N -0.80 0.83 -0.67 4.80 3.64 -1.73 -2.68 116.57 119.96 2iqj h LYS 88 Ca -0.08 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 2iqj h LYS 88 Cb 0.59 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 2iqj h LYS 88 CO 0.13 0.58 0.26 0.00 -2.27 0.00 0.00 179.45 178.15 2iqj h ALA 89 N 1.57 0.87 -0.61 5.00 0.00 -1.11 -2.65 119.26 122.32 2iqj h ALA 89 Ca 0.22 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2iqj h ALA 89 Cb -0.04 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 2iqj h ALA 89 CO -0.04 0.49 0.27 -0.97 0.00 0.00 0.00 179.25 179.00 2iqj h ASN 90 N 0.94 0.33 -0.33 0.00 -1.24 -0.92 0.16 115.58 114.52 2iqj h ASN 90 Ca 0.22 0.06 -0.04 0.00 0.71 0.00 0.00 56.30 57.25 2iqj h ASN 90 Cb 0.21 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2iqj h ASN 90 CO -0.02 0.21 0.09 0.03 -1.29 0.00 0.00 177.43 176.45 2iqj h ARG 91 N 0.49 0.60 0.00 6.67 3.08 -1.34 0.08 114.38 123.96 2iqj h ARG 91 Ca 0.30 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2iqj h ARG 91 Cb 0.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2iqj h ARG 91 CO -0.25 0.56 -0.10 1.25 -1.07 0.00 0.00 179.97 180.35 2iqj h LEU 92 N 0.59 0.00 0.00 3.04 5.85 -1.11 -3.30 115.31 120.38 2iqj h LEU 92 Ca 0.14 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 2iqj h LEU 92 Cb 0.23 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2iqj h LEU 92 CO -0.00 0.50 -0.11 1.88 -0.34 0.00 0.00 178.44 180.36 2iqj h TYR 93 N -0.90 0.00 -0.13 1.25 0.05 -0.77 -1.37 116.97 115.10 2iqj h TYR 93 Ca 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 2iqj h TYR 93 Cb 0.10 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 2iqj h TYR 93 CO -0.04 0.09 -0.01 0.39 -1.05 0.00 0.00 178.16 177.53 2iqj n GLU 94 N -3.11 2.04 -0.23 4.88 1.02 0.01 -3.72 120.64 121.52 2iqj n GLU 94 Ca 0.04 -2.73 0.02 0.00 -0.02 0.00 0.00 57.16 54.46 2iqj n GLU 94 Cb 0.57 -1.67 0.14 0.00 -0.02 0.00 0.00 31.44 30.46 2iqj n GLU 94 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2iqj h ALA 95 N 0.86 0.90 -0.53 0.62 0.00 -1.35 -2.19 119.26 117.57 2iqj h ALA 95 Ca 0.01 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2iqj h ALA 95 Cb 1.22 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2iqj h ALA 95 CO 0.11 -0.20 0.06 0.66 0.00 0.00 0.00 179.25 179.89 2iqj n TYR 96 N -5.00 1.87 -2.42 0.00 4.01 0.23 -4.92 117.16 110.92 2iqj n TYR 96 Ca 0.11 -0.90 -0.42 0.00 -0.16 0.00 0.00 57.90 56.52 2iqj n TYR 96 Cb 0.33 -0.51 -0.03 0.00 -0.31 0.00 0.00 39.34 38.83 2iqj n TYR 96 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 2iqj s LEU 97 N -2.86 4.26 0.35 7.72 2.96 -0.82 -4.87 118.68 125.42 2iqj s LEU 97 Ca 0.52 1.82 -0.26 0.00 -0.22 0.00 0.00 54.13 55.98 2iqj s LEU 97 Cb 0.41 -3.55 -0.12 0.00 0.50 0.00 0.00 46.19 43.42 2iqj s LEU 97 CO 0.13 -0.64 1.01 -2.65 -1.32 0.00 0.00 176.35 172.87 2iqj n PRO 98 N 5.59 1.38 0.25 0.98 -0.02 -1.26 -4.85 135.00 137.07 2iqj n PRO 98 Ca 0.12 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 62.22 2iqj n PRO 98 Cb 0.46 -1.94 0.64 0.00 -0.02 0.00 0.00 33.50 32.63 2iqj n PRO 98 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2iqj h GLU 99 N 1.80 0.00 -0.03 -0.52 9.09 -1.98 -2.38 114.58 120.56 2iqj h GLU 99 Ca -0.42 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 58.84 2iqj h GLU 99 Cb 1.34 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.42 2iqj h GLU 99 CO 0.59 0.14 -0.66 0.00 0.05 0.00 0.00 179.01 179.12 2iqj h THR 100 N 0.00 1.43 -0.82 -1.06 1.03 -2.03 -3.48 112.91 107.99 2iqj h THR 100 Ca -0.00 -2.17 -0.67 0.00 -0.01 0.00 0.00 66.41 63.56 2iqj h THR 100 Cb 0.51 2.15 0.03 0.00 -1.07 0.00 0.00 68.15 69.77 2iqj h THR 100 CO 0.02 0.63 0.22 0.33 -0.01 0.00 0.00 175.52 176.71 2iqj n PHE 101 N -3.80 0.83 -2.99 0.00 7.35 -0.90 -4.89 117.46 113.06 2iqj n PHE 101 Ca -0.02 0.89 -0.43 0.00 -0.76 0.00 0.00 57.45 57.13 2iqj n PHE 101 Cb 0.65 -1.74 -0.05 0.00 0.35 0.00 0.00 39.48 38.69 2iqj n PHE 101 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2iqj s ARG 102 N 0.82 3.27 0.15 -4.13 1.70 -1.26 -5.01 118.95 114.49 2iqj s ARG 102 Ca 0.78 -0.46 -0.31 0.00 -0.47 0.00 0.00 55.73 55.26 2iqj s ARG 102 Cb -1.10 -4.04 -0.11 0.00 -0.57 0.00 0.00 34.95 29.13 2iqj s ARG 102 CO 0.53 -1.31 1.80 0.50 -1.08 0.00 0.00 175.30 175.75 2iqj s ARG 103 N 3.32 4.13 0.84 3.89 3.52 -1.26 -4.94 118.95 128.45 2iqj s ARG 103 Ca 0.24 2.60 -0.11 0.00 -0.13 0.00 0.00 55.73 58.33 2iqj s ARG 103 Cb -0.15 -3.45 0.10 0.00 -1.56 0.00 0.00 34.95 29.88 2iqj s ARG 103 CO 0.17 -0.82 1.10 -1.25 -0.81 0.00 0.00 175.30 173.69 2iqj s PRO 104 N 2.32 1.70 0.00 5.12 0.04 -1.26 -4.99 135.00 137.93 2iqj s PRO 104 Ca 0.79 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.55 2iqj s PRO 104 Cb -0.47 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2iqj s PRO 104 CO 0.35 -1.91 0.00 0.94 0.04 0.00 0.00 177.00 176.42 2iqj n GLN 105 N -3.64 1.17 -3.44 4.56 -0.06 -1.26 -4.74 117.38 109.97 2iqj n GLN 105 Ca 0.07 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.74 2iqj n GLN 105 Cb 0.56 -0.64 -0.05 0.00 -4.06 0.00 0.00 30.24 26.04 2iqj n GLN 105 CO 0.00 0.00 0.00 0.96 -0.20 0.00 0.00 177.06 177.82 2iqj s ILE 106 N -1.27 4.95 0.14 1.69 -4.36 -1.26 -4.87 121.20 116.21 2iqj s ILE 106 Ca 0.00 0.49 -0.28 0.00 -0.26 0.00 0.00 60.65 60.60 2iqj s ILE 106 Cb 0.00 -3.64 -0.07 0.00 1.25 0.00 0.00 42.46 40.01 2iqj s ILE 106 CO 0.00 0.00 1.48 0.44 0.24 0.00 0.00 174.94 177.10 2iqj h ASP 107 N 2.78 -1.88 -0.10 4.36 5.19 -1.98 -0.29 116.42 124.51 2iqj h ASP 107 Ca -0.47 0.28 -0.06 0.00 -0.62 0.00 0.00 57.03 56.15 2iqj h ASP 107 Cb 1.17 0.82 -0.01 0.00 0.18 0.00 0.00 39.33 41.49 2iqj h ASP 107 CO 0.69 -0.22 -0.12 1.55 -3.12 0.00 0.00 179.24 178.01 2iqj h PRO 108 N -0.05 0.43 -0.25 3.56 0.13 -1.99 0.20 132.00 134.02 2iqj h PRO 108 Ca 0.13 -0.12 -0.05 0.00 -0.87 0.00 0.00 66.00 65.09 2iqj h PRO 108 Cb 0.38 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.46 2iqj h PRO 108 CO -0.79 0.55 -0.06 0.00 -0.23 0.00 0.00 178.00 177.48 2iqj h ALA 109 N 1.48 0.35 -0.91 -0.56 0.00 -1.84 -2.60 119.26 115.18 2iqj h ALA 109 Ca 0.08 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.73 2iqj h ALA 109 Cb 0.46 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2iqj h ALA 109 CO 0.03 0.14 0.59 0.28 0.00 0.00 0.00 179.25 180.30 2iqj h VAL 110 N 0.23 1.24 -0.53 0.00 2.07 -0.91 -1.21 116.25 117.15 2iqj h VAL 110 Ca 0.06 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2iqj h VAL 110 Cb 0.52 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 2iqj h VAL 110 CO 0.02 0.23 0.24 -0.33 0.02 0.00 0.00 177.57 177.76 2iqj h GLU 111 N 1.24 0.78 -0.44 1.57 5.08 -0.89 -0.44 114.58 121.49 2iqj h GLU 111 Ca 0.33 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2iqj h GLU 111 Cb -0.12 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2iqj h GLU 111 CO -0.07 0.66 0.28 0.78 -1.00 0.00 0.00 179.01 179.66 2iqj h GLY 112 N 0.72 0.62 0.98 -3.84 0.00 -1.25 -1.89 103.07 98.41 2iqj h GLY 112 Ca 0.18 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2iqj h GLY 112 CO -0.02 0.24 0.23 -2.75 0.00 0.00 0.00 176.54 174.24 2iqj h PHE 113 N 0.59 0.80 -0.61 5.60 3.57 -0.93 0.04 116.94 126.00 2iqj h PHE 113 Ca 0.16 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 2iqj h PHE 113 Cb -0.04 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.43 2iqj h PHE 113 CO -0.04 0.64 0.09 0.82 -2.23 0.00 0.00 178.31 177.59 2iqj h ILE 114 N 0.72 1.26 0.01 1.41 2.04 -1.05 -0.65 117.51 121.26 2iqj h ILE 114 Ca 0.18 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 2iqj h ILE 114 Cb 0.17 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2iqj h ILE 114 CO -0.02 0.38 -0.00 -0.09 0.00 0.00 0.00 178.15 178.41 2iqj h ARG 115 N 0.92 -0.01 -0.94 2.37 2.43 -1.18 -1.78 114.38 116.19 2iqj h ARG 115 Ca 0.18 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.60 2iqj h ARG 115 Cb 0.44 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.87 2iqj h ARG 115 CO 0.01 0.22 0.45 -0.44 -1.51 0.00 0.00 179.97 178.71 2iqj h ASP 116 N -0.24 0.41 0.02 -3.80 3.32 -0.88 0.14 116.42 115.38 2iqj h ASP 116 Ca -0.00 0.16 -0.13 0.00 0.02 0.00 0.00 57.03 57.08 2iqj h ASP 116 Cb 0.24 0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.92 2iqj h ASP 116 CO 0.00 -0.02 -0.51 0.11 -1.72 0.00 0.00 179.24 177.11 2iqj h LYS 117 N 0.41 0.32 0.00 3.56 1.57 -0.79 0.28 116.57 121.91 2iqj h LYS 117 Ca 0.61 -0.36 -0.25 0.00 -1.87 0.00 0.00 60.65 58.78 2iqj h LYS 117 Cb 1.21 0.11 -0.05 0.00 0.08 0.00 0.00 32.23 33.58 2iqj h LYS 117 CO -0.54 1.07 -1.95 0.66 -0.57 0.00 0.00 179.45 178.11 2iqj n TYR 118 N -4.30 0.00 -0.08 -1.35 4.01 -0.70 -3.70 117.16 111.04 2iqj n TYR 118 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.53 2iqj n TYR 118 Cb 0.64 -0.66 -0.05 0.00 -0.31 0.00 0.00 39.34 38.95 2iqj n TYR 118 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 2iqj h GLU 119 N 0.00 0.00 0.00 -0.72 4.39 -0.97 -3.40 114.58 113.88 2iqj h GLU 119 Ca -0.37 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.17 2iqj h GLU 119 Cb 1.70 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.33 2iqj h GLU 119 CO -0.02 0.39 -0.75 0.87 -1.16 0.00 0.00 179.01 178.34 2iqj h LYS 120 N -1.00 0.00 -5.47 2.33 1.57 -1.18 -3.48 116.57 109.34 2iqj h LYS 120 Ca -0.12 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.24 2iqj h LYS 120 Cb 0.77 0.00 0.08 0.00 0.08 0.00 0.00 32.23 33.15 2iqj h LYS 120 CO -0.07 0.75 -0.66 1.63 -0.57 0.00 0.00 179.45 180.53 2iqj n LYS 121 N -3.47 -6.43 -0.27 3.15 5.02 0.76 -4.89 118.16 112.04 2iqj n LYS 121 Ca -0.00 0.80 0.15 0.00 -2.02 0.00 0.00 58.31 57.24 2iqj n LYS 121 Cb 0.78 -5.76 0.43 0.00 -0.02 0.00 0.00 35.03 30.46 2iqj n LYS 121 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2iqj h LYS 122 N -2.12 0.56 -0.34 1.97 1.57 -1.21 -2.80 116.57 114.19 2iqj h LYS 122 Ca -0.55 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.19 2iqj h LYS 122 Cb 1.37 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2iqj h LYS 122 CO 0.58 0.37 0.00 0.66 -0.57 0.00 0.00 179.45 180.49 2iqj n TYR 123 N -4.57 0.47 -2.86 -1.35 4.01 -1.26 -4.93 117.16 106.66 2iqj n TYR 123 Ca 0.19 -0.51 -0.40 0.00 -0.16 0.00 0.00 57.90 57.02 2iqj n TYR 123 Cb 0.59 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 2iqj n TYR 123 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 2iqj s MET 124 N -1.03 4.67 -0.53 -0.72 1.75 -1.06 -0.60 119.30 121.78 2iqj s MET 124 Ca 0.23 1.30 -0.25 0.00 -1.25 0.00 0.00 55.69 55.72 2iqj s MET 124 Cb 0.12 -3.31 0.04 0.00 2.84 0.00 0.00 34.83 34.52 2iqj s MET 124 CO 0.16 0.42 0.97 0.34 -0.65 0.00 0.00 175.02 176.25 2iqj s ASP 125 N -0.69 6.40 0.33 1.11 -1.08 -0.52 -4.86 116.67 117.36 2iqj s ASP 125 Ca 0.40 -0.17 0.10 0.00 -0.52 0.00 0.00 52.55 52.37 2iqj s ASP 125 Cb -0.23 -2.45 0.58 0.00 -1.46 0.00 0.00 42.92 39.35 2iqj s ASP 125 CO 0.28 -1.21 1.75 0.03 0.52 0.00 0.00 175.17 176.55 2iqj h ARG 126 N 9.27 0.08 -0.66 4.34 3.08 -1.95 -2.58 114.38 125.97 2iqj h ARG 126 Ca -0.25 -0.04 0.14 0.00 0.07 0.00 0.00 59.98 59.90 2iqj h ARG 126 Cb 1.07 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 2iqj h ARG 126 CO 1.08 0.49 0.45 0.66 -1.07 0.00 0.00 179.97 181.58 2iqj h SER 127 N 0.06 0.28 -0.00 7.04 4.64 -2.00 -3.55 113.55 120.02 2iqj h SER 127 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2iqj h SER 127 Cb 0.78 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 2iqj h SER 127 CO 0.06 0.15 0.00 0.18 -0.87 0.00 0.00 176.83 176.35