#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqj h ARG 11 N 0.00 0.93 0.00 -1.24 9.65 -2.00 -3.20 114.38 118.52 2iqj h ARG 11 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2iqj h ARG 11 Cb 0.00 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.38 2iqj h ARG 11 CO 0.00 0.63 -0.01 0.66 2.80 0.00 0.00 179.97 184.05 2iqj n TYR 12 N -4.58 0.00 -0.17 2.20 4.01 -1.26 -4.75 117.16 112.60 2iqj n TYR 12 Ca 0.06 -0.87 -0.04 0.00 -0.16 0.00 0.00 57.90 56.89 2iqj n TYR 12 Cb 0.03 -0.13 0.05 0.00 -0.31 0.00 0.00 39.34 38.99 2iqj n TYR 12 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2iqj h GLN 13 N 0.00 0.49 -0.28 -0.72 4.15 -1.94 -1.37 115.11 115.44 2iqj h GLN 13 Ca 0.00 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.31 2iqj h GLN 13 Cb 0.91 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2iqj h GLN 13 CO 0.00 0.32 -0.13 0.00 -1.93 0.00 0.00 178.83 177.09 2iqj h ALA 14 N 1.28 0.39 -0.26 3.38 0.00 -1.85 0.20 119.26 122.39 2iqj h ALA 14 Ca 0.23 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.87 2iqj h ALA 14 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2iqj h ALA 14 CO -0.16 0.26 -0.03 0.28 0.00 0.00 0.00 179.25 179.60 2iqj h VAL 15 N 0.32 0.77 -0.56 0.00 2.07 -1.88 -0.80 116.25 116.17 2iqj h VAL 15 Ca 0.06 -0.01 -0.08 0.00 0.82 0.00 0.00 66.70 67.48 2iqj h VAL 15 Cb 0.64 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 2iqj h VAL 15 CO 0.04 0.01 0.01 -0.07 0.02 0.00 0.00 177.57 177.58 2iqj h LEU 16 N 0.04 0.92 -0.66 2.57 3.38 -1.16 -2.21 115.31 118.19 2iqj h LEU 16 Ca 0.13 -0.24 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2iqj h LEU 16 Cb 0.18 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2iqj h LEU 16 CO -0.24 0.97 0.25 0.00 0.09 0.00 0.00 178.44 179.52 2iqj h ALA 17 N 1.12 0.86 -0.70 1.53 0.00 -0.69 -1.93 119.26 119.47 2iqj h ALA 17 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2iqj h ALA 17 Cb 0.50 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2iqj h ALA 17 CO 0.02 0.49 0.22 -0.91 0.00 0.00 0.00 179.25 179.08 2iqj h ASN 18 N 0.94 1.00 -0.93 0.00 2.35 -0.94 -2.47 115.58 115.52 2iqj h ASN 18 Ca 0.22 -0.18 0.01 0.00 -0.55 0.00 0.00 56.30 55.81 2iqj h ASN 18 Cb 0.22 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 2iqj h ASN 18 CO -0.02 0.92 0.62 -0.07 -1.65 0.00 0.00 177.43 177.23 2iqj h LEU 19 N 1.03 1.06 0.00 1.61 3.38 -0.91 -1.75 115.31 119.73 2iqj h LEU 19 Ca 0.23 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2iqj h LEU 19 Cb 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2iqj h LEU 19 CO -0.01 0.76 0.00 0.18 0.09 0.00 0.00 178.44 179.46 2iqj n LEU 20 N -4.40 0.00 0.01 1.67 4.77 -0.77 -1.85 117.00 116.43 2iqj n LEU 20 Ca 0.11 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.54 2iqj n LEU 20 Cb 0.03 -0.33 0.30 0.00 -2.33 0.00 0.00 43.42 41.09 2iqj n LEU 20 CO 0.36 -0.08 0.52 0.18 -1.33 0.00 0.00 177.39 177.05 2iqj n LEU 21 N -1.33 0.45 -4.73 2.23 4.77 -0.66 -4.28 117.00 113.46 2iqj n LEU 21 Ca 0.10 0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 2iqj n LEU 21 Cb 0.20 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2iqj n LEU 21 CO 0.18 0.07 1.08 -1.61 -1.33 0.00 0.00 177.39 175.79 2iqj s GLU 22 N -3.03 4.31 0.22 3.23 2.02 -0.77 -4.92 118.70 119.76 2iqj s GLU 22 Ca 0.11 2.18 -0.08 0.00 0.02 0.00 0.00 54.97 57.20 2iqj s GLU 22 Cb 0.17 -3.18 0.35 0.00 0.10 0.00 0.00 34.13 31.56 2iqj s GLU 22 CO 0.67 -0.41 1.73 0.93 0.02 0.00 0.00 175.26 178.20 2iqj h GLU 23 N 5.97 0.38 0.00 1.61 4.39 -1.89 -0.66 114.58 124.39 2iqj h GLU 23 Ca -0.44 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 2iqj h GLU 23 Cb 1.21 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2iqj h GLU 23 CO 0.83 0.25 -0.08 -0.44 -1.16 0.00 0.00 179.01 178.40 2iqj h ASP 24 N 0.39 0.00 -0.11 1.42 3.32 -1.95 -2.90 116.42 116.59 2iqj h ASP 24 Ca 0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2iqj h ASP 24 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 2iqj h ASP 24 CO -0.36 0.08 0.00 0.59 -1.72 0.00 0.00 179.24 177.83 2iqj n ASN 25 N -4.26 1.39 0.00 6.45 3.02 -0.26 -3.49 115.26 118.10 2iqj n ASN 25 Ca -0.03 -1.61 0.15 0.00 -0.03 0.00 0.00 54.58 53.06 2iqj n ASN 25 Cb 0.16 -0.07 0.77 0.00 -0.61 0.00 0.00 39.78 40.03 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 0.12 0.52 -4.13 3.52 5.02 -1.09 -4.52 118.16 117.60 2iqj n LYS 26 Ca 0.17 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.32 2iqj n LYS 26 Cb 0.30 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.46 0.56 0.21 2.13 0.08 -1.23 -0.80 117.98 116.48 2iqj s PHE 27 Ca 0.31 -0.25 -0.32 0.00 0.12 0.00 0.00 56.93 56.79 2iqj s PHE 27 Cb 0.20 -0.35 -0.13 0.00 -0.57 0.00 0.00 43.02 42.17 2iqj s PHE 27 CO 0.43 -0.04 1.59 0.00 -0.10 0.00 0.00 175.22 177.10 2iqj h ALA 29 N 5.69 2.10 0.00 0.00 0.00 -1.60 0.17 119.26 125.63 2iqj h ALA 29 Ca -0.45 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.13 2iqj h ALA 29 Cb 1.24 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2iqj h ALA 29 CO 0.87 -0.42 -2.06 -0.25 0.00 0.00 0.00 179.25 177.39 2iqj n ASP 30 N -4.08 1.43 -0.14 0.00 8.00 -1.26 -4.67 116.55 115.83 2iqj n ASP 30 Ca 0.04 0.25 0.08 0.00 0.71 0.00 0.00 54.79 55.87 2iqj n ASP 30 Cb 0.42 -0.60 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 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 -0.91 -1.30 -2.07 0.00 6.02 0.60 -4.91 117.38 114.81 2iqj n GLN 32 Ca 0.05 1.03 -0.35 0.00 -0.01 0.00 0.00 57.00 57.71 2iqj n GLN 32 Cb 0.29 -5.29 0.02 0.00 1.02 0.00 0.00 30.24 26.29 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 -2.70 5.36 0.27 1.08 1.04 -1.26 -4.31 113.70 113.18 2iqj s SER 33 Ca 0.00 2.26 -0.29 0.00 0.48 0.00 0.00 55.95 58.40 2iqj s SER 33 Cb 0.00 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 63.44 2iqj s SER 33 CO 0.00 -1.47 1.15 -0.54 0.98 0.00 0.00 173.24 173.36 2iqj s LYS 34 N -3.41 4.57 -0.35 4.02 1.02 -1.26 -0.78 119.74 123.54 2iqj s LYS 34 Ca 0.74 1.88 -0.01 0.00 0.02 0.00 0.00 55.97 58.61 2iqj s LYS 34 Cb -0.27 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2iqj s LYS 34 CO 0.32 0.09 0.30 0.41 -0.92 0.00 0.00 175.35 175.54 2iqj n GLY 35 N 1.35 0.23 3.76 -3.33 0.00 0.02 -4.90 105.19 102.32 2iqj n GLY 35 Ca 0.00 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.06 4.31 -0.02 1.61 0.04 -1.26 -4.93 135.00 130.69 2iqj s PRO 36 Ca 0.05 2.27 0.06 0.00 0.04 0.00 0.00 61.00 63.42 2iqj s PRO 36 Cb -0.01 -3.07 0.16 0.00 0.04 0.00 0.00 34.50 31.62 2iqj s PRO 36 CO 0.22 -0.29 1.13 0.54 0.04 0.00 0.00 177.00 178.65 2iqj n ARG 37 N 1.22 2.79 -4.40 4.56 5.12 -1.21 -4.82 116.66 119.93 2iqj n ARG 37 Ca 0.02 -1.87 -0.20 0.00 -1.93 0.00 0.00 57.85 53.87 2iqj n ARG 37 Cb 0.41 -1.19 -0.10 0.00 -1.16 0.00 0.00 32.46 30.42 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 -1.30 1.78 -0.05 -1.55 0.52 -0.53 -0.33 118.94 117.49 2iqj s TRP 38 Ca 0.14 -1.07 -0.19 0.00 0.02 0.00 0.00 56.10 54.99 2iqj s TRP 38 Cb 0.09 -1.12 0.04 0.00 -1.15 0.00 0.00 33.47 31.33 2iqj s TRP 38 CO 0.06 -0.16 0.43 0.00 0.02 0.00 0.00 176.95 177.31 2iqj s ALA 39 N -3.48 -1.10 -0.38 0.98 0.00 -0.04 -0.76 121.76 116.98 2iqj s ALA 39 Ca 0.36 0.77 -0.14 0.00 0.00 0.00 0.00 51.96 52.95 2iqj s ALA 39 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.10 2iqj s ALA 39 CO 0.15 -0.28 0.27 0.45 0.00 0.00 0.00 175.76 176.35 2iqj s SER 40 N -0.98 6.03 0.33 0.00 0.15 -0.15 -1.04 113.70 118.05 2iqj s SER 40 Ca -0.10 -0.78 0.22 0.00 0.70 0.00 0.00 55.95 55.99 2iqj s SER 40 Cb -0.04 -2.13 0.18 0.00 -1.71 0.00 0.00 66.02 62.33 2iqj s SER 40 CO 0.05 -0.38 1.37 4.11 1.20 0.00 0.00 173.24 179.59 2iqj h TRP 41 N 8.56 0.00 0.09 3.44 5.08 -1.28 0.18 115.95 132.02 2iqj h TRP 41 Ca -0.28 0.00 -0.26 0.00 1.08 0.00 0.00 58.89 59.43 2iqj h TRP 41 Cb 1.13 0.00 0.01 0.00 -3.00 0.00 0.00 29.16 27.30 2iqj h TRP 41 CO 0.58 0.07 -1.15 -2.95 -1.28 0.00 0.00 178.44 173.71 2iqj h ASN 42 N 0.00 0.57 -0.11 0.11 -1.07 -1.95 -3.31 115.58 109.82 2iqj h ASN 42 Ca -0.01 -0.53 -0.15 0.00 0.07 0.00 0.00 56.30 55.68 2iqj h ASN 42 Cb 1.06 -0.18 0.01 0.00 -2.07 0.00 0.00 38.32 37.13 2iqj h ASN 42 CO 0.01 1.37 -0.51 0.40 0.07 0.00 0.00 177.43 178.77 2iqj h ILE 43 N 0.17 1.36 -0.27 6.14 2.04 -1.86 -3.49 117.51 121.60 2iqj h ILE 43 Ca -0.13 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 63.91 2iqj h ILE 43 Cb 1.83 2.17 0.00 0.00 -0.74 0.00 0.00 36.82 40.08 2iqj h ILE 43 CO 0.20 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.51 2iqj n GLY 44 N 0.69 1.10 3.44 5.37 0.00 -0.01 -4.85 105.19 110.94 2iqj n GLY 44 Ca -0.08 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.27 2.70 -0.19 1.61 -7.23 -0.79 -0.98 120.40 113.25 2iqj s VAL 45 Ca 0.00 -1.28 -0.13 0.00 -1.81 0.00 0.00 61.98 58.76 2iqj s VAL 45 Cb 0.00 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2iqj s VAL 45 CO 0.00 0.30 0.27 -0.36 -0.31 0.00 0.00 175.10 175.00 2iqj s PHE 46 N -0.95 3.41 0.16 2.82 0.08 -1.26 -0.98 117.98 121.26 2iqj s PHE 46 Ca 0.15 0.51 0.00 0.00 0.12 0.00 0.00 56.93 57.71 2iqj s PHE 46 Cb -0.10 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.96 2iqj s PHE 46 CO 0.06 0.16 0.04 0.96 -0.10 0.00 0.00 175.22 176.34 2iqj s ILE 47 N 0.72 0.37 0.73 0.64 -4.36 0.06 -1.49 121.20 117.87 2iqj s ILE 47 Ca 0.14 -1.95 -0.10 0.00 -0.26 0.00 0.00 60.65 58.48 2iqj s ILE 47 Cb -0.13 -2.12 0.04 0.00 1.25 0.00 0.00 42.46 41.50 2iqj s ILE 47 CO 0.04 -0.43 1.09 0.00 0.24 0.00 0.00 174.94 175.88 2iqj h ILE 49 N -0.74 0.97 0.03 0.00 2.10 -1.95 0.18 117.51 118.11 2iqj h ILE 49 Ca -0.45 -0.32 -0.00 0.00 1.08 0.00 0.00 64.86 65.17 2iqj h ILE 49 Cb 1.29 -0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2iqj h ILE 49 CO 0.64 0.17 -0.01 -0.09 -1.08 0.00 0.00 178.15 177.77 2iqj h ARG 50 N 0.92 -0.04 -0.23 2.19 1.12 -2.00 -2.61 114.38 113.73 2iqj h ARG 50 Ca 0.41 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 59.19 2iqj h ARG 50 Cb 0.30 0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 2iqj h ARG 50 CO -0.22 0.22 -0.25 0.00 -3.11 0.00 0.00 179.97 176.61 2iqj h ALA 52 N 1.36 1.62 -0.77 0.00 0.00 -0.62 0.45 119.26 121.30 2iqj h ALA 52 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2iqj h ALA 52 Cb 0.65 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2iqj h ALA 52 CO 0.05 0.25 0.40 0.78 0.00 0.00 0.00 179.25 180.72 2iqj h GLY 53 N 0.88 1.16 0.73 0.00 0.00 -0.98 -1.58 103.07 103.28 2iqj h GLY 53 Ca 0.35 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2iqj h GLY 53 CO -0.13 0.52 -0.03 -2.22 0.00 0.00 0.00 176.54 174.69 2iqj h ILE 54 N 1.07 1.29 -0.51 2.60 2.04 -1.14 -3.01 117.51 119.85 2iqj h ILE 54 Ca 0.27 -0.97 0.10 0.00 1.00 0.00 0.00 64.86 65.26 2iqj h ILE 54 Cb 0.07 1.70 -0.08 0.00 -0.74 0.00 0.00 36.82 37.77 2iqj h ILE 54 CO -0.04 0.28 0.01 0.45 0.00 0.00 0.00 178.15 178.85 2iqj h HIS 55 N -0.09 -0.00 -0.98 1.37 3.86 -0.91 -1.44 115.15 116.95 2iqj h HIS 55 Ca 0.03 0.04 0.20 0.00 -1.16 0.00 0.00 60.37 59.48 2iqj h HIS 55 Cb 0.45 0.08 -0.09 0.00 1.06 0.00 0.00 27.41 28.90 2iqj h HIS 55 CO 0.05 -0.10 0.62 -0.09 0.86 0.00 0.00 177.93 179.27 2iqj h ARG 56 N 0.13 0.61 0.00 2.45 2.43 -1.23 -0.48 114.38 118.30 2iqj h ARG 56 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 2iqj h ARG 56 Cb 0.39 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2iqj h ARG 56 CO -0.42 0.41 0.00 0.09 -1.51 0.00 0.00 179.97 178.54 2iqj n ASN 57 N -4.67 0.00 0.13 -3.80 3.02 -0.55 -3.39 115.26 105.99 2iqj n ASN 57 Ca 0.22 -0.22 -0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2iqj n ASN 57 Cb 0.63 -0.24 0.07 0.00 -0.61 0.00 0.00 39.78 39.63 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 0.00 0.00 3.41 3.38 -0.96 -3.50 115.31 117.63 2iqj h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2iqj h LEU 58 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2iqj h LEU 58 CO 0.00 0.64 0.00 0.61 0.09 0.00 0.00 178.44 179.78 2iqj n GLY 59 N 0.91 2.02 0.17 0.83 0.00 -1.22 -4.61 105.19 103.30 2iqj n GLY 59 Ca 0.00 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2iqj n GLY 59 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2iqj h VAL 60 N 0.00 0.00 0.00 1.61 -1.51 -1.88 0.13 116.25 114.59 2iqj h VAL 60 Ca 0.00 -0.40 -0.05 0.00 -1.23 0.00 0.00 66.70 65.02 2iqj h VAL 60 Cb 0.00 1.27 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2iqj h VAL 60 CO 0.00 0.00 -0.23 1.12 -1.23 0.00 0.00 177.57 177.23 2iqj h HIS 61 N 0.00 0.00 0.00 5.19 -0.00 -2.01 -3.34 115.15 114.99 2iqj h HIS 61 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 60.37 60.02 2iqj h HIS 61 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.87 2iqj h HIS 61 CO 0.00 0.23 -2.14 -0.89 -0.00 0.00 0.00 177.93 175.13 2iqj n ILE 62 N -3.55 1.42 -3.78 6.12 5.41 -0.02 -5.07 119.36 119.91 2iqj n ILE 62 Ca -0.01 -0.26 -0.13 0.00 1.00 0.00 0.00 62.75 63.36 2iqj n ILE 62 Cb 0.38 -1.94 -0.11 0.00 -0.71 0.00 0.00 39.64 37.27 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 -7.04 -0.27 -0.08 4.38 0.15 0.24 -4.76 113.70 106.32 2iqj s SER 63 Ca -0.34 0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.77 2iqj s SER 63 Cb 0.12 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 2iqj s SER 63 CO 0.44 -0.18 -0.06 -0.13 1.20 0.00 0.00 173.24 174.51 2iqj s ARG 64 N -0.18 1.22 -0.01 5.44 0.52 -1.26 -3.90 118.95 120.77 2iqj s ARG 64 Ca -0.03 -0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.05 2iqj s ARG 64 Cb -0.03 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 34.14 2iqj s ARG 64 CO 0.01 -0.19 -0.15 0.08 0.02 0.00 0.00 175.30 175.07 2iqj s VAL 65 N 1.42 3.00 0.06 3.52 1.01 -1.26 -0.88 120.40 127.27 2iqj s VAL 65 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2iqj s VAL 65 Cb -0.13 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 2iqj s VAL 65 CO -0.04 0.47 -0.08 -0.54 0.00 0.00 0.00 175.10 174.92 2iqj s LYS 66 N -1.07 0.66 0.08 2.72 1.02 -0.20 -4.96 119.74 117.99 2iqj s LYS 66 Ca 0.13 -0.98 -0.29 0.00 0.02 0.00 0.00 55.97 54.85 2iqj s LYS 66 Cb -0.11 -0.30 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 2iqj s LYS 66 CO 0.03 0.03 0.93 0.45 -0.92 0.00 0.00 175.35 175.87 2iqj s SER 67 N -2.12 7.43 0.16 2.83 0.15 -1.26 -0.86 113.70 120.02 2iqj s SER 67 Ca -0.02 1.71 -0.13 0.00 0.70 0.00 0.00 55.95 58.22 2iqj s SER 67 Cb -0.05 -2.56 0.04 0.00 -1.71 0.00 0.00 66.02 61.74 2iqj s SER 67 CO -0.01 -0.08 1.67 0.58 1.20 0.00 0.00 173.24 176.60 2iqj h VAL 68 N 4.17 1.24 -0.01 4.45 2.07 -1.00 -2.73 116.25 124.43 2iqj h VAL 68 Ca -0.43 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.27 2iqj h VAL 68 Cb 1.21 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2iqj h VAL 68 CO 0.72 0.30 -0.54 -0.46 0.02 0.00 0.00 177.57 177.61 2iqj n ASN 69 N -4.45 1.36 -0.10 0.57 0.23 -1.26 -4.55 115.26 107.06 2iqj n ASN 69 Ca 0.02 -1.18 -0.13 0.00 -0.53 0.00 0.00 54.58 52.76 2iqj n ASN 69 Cb 0.21 0.68 -0.10 0.00 -2.08 0.00 0.00 39.78 38.49 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 -0.62 2.24 -4.91 -4.53 4.77 -1.25 -5.05 117.00 107.65 2iqj n LEU 70 Ca 0.06 -0.08 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 2iqj n LEU 70 Cb 0.33 -0.45 0.04 0.00 -2.33 0.00 0.00 43.42 41.01 2iqj n LEU 70 CO 0.27 0.74 0.60 -1.81 -1.33 0.00 0.00 177.39 175.86 2iqj s ASP 71 N -5.78 5.40 -0.15 -1.43 1.01 -1.03 -5.01 116.67 109.68 2iqj s ASP 71 Ca -0.23 0.76 -0.07 0.00 0.71 0.00 0.00 52.55 53.72 2iqj s ASP 71 Cb 0.07 -1.64 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 2iqj s ASP 71 CO 0.53 -1.24 0.10 -1.10 0.21 0.00 0.00 175.17 173.67 2iqj s GLN 72 N -5.13 3.73 0.13 8.23 -0.21 -1.26 -4.92 119.66 120.23 2iqj s GLN 72 Ca 0.56 -0.25 0.08 0.00 0.02 0.00 0.00 55.36 55.77 2iqj s GLN 72 Cb -0.11 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2iqj s GLN 72 CO 0.47 0.50 -0.13 -1.58 -2.12 0.00 0.00 175.29 172.42 2iqj s TRP 73 N -0.24 2.62 0.30 0.91 0.52 -1.26 -5.10 118.94 116.67 2iqj s TRP 73 Ca 0.09 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 56.03 2iqj s TRP 73 Cb -0.12 -1.35 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 2iqj s TRP 73 CO 0.01 0.44 0.44 0.95 0.02 0.00 0.00 176.95 178.81 2iqj s THR 74 N -1.34 4.92 0.22 2.01 -4.23 -1.26 -4.92 115.64 111.04 2iqj s THR 74 Ca 0.21 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 59.81 2iqj s THR 74 Cb -0.10 -3.75 0.17 0.00 1.34 0.00 0.00 72.50 70.16 2iqj s THR 74 CO 0.13 -0.35 1.77 -0.61 -0.54 0.00 0.00 174.62 175.02 2iqj h GLN 75 N 0.97 0.56 -0.54 3.99 4.15 -2.00 -1.70 115.11 120.54 2iqj h GLN 75 Ca -0.50 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 58.83 2iqj h GLN 75 Cb 1.23 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 2iqj h GLN 75 CO 0.59 0.37 0.12 0.93 -1.93 0.00 0.00 178.83 178.92 2iqj h GLU 76 N 0.58 0.87 -0.58 1.69 3.07 -1.99 -0.23 114.58 117.99 2iqj h GLU 76 Ca 0.35 -0.21 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2iqj h GLU 76 Cb 0.38 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2iqj h GLU 76 CO -0.28 0.83 0.35 1.96 -1.40 0.00 0.00 179.01 180.47 2iqj h GLN 77 N 0.76 0.79 -0.63 2.33 4.20 -1.89 -1.21 115.11 119.47 2iqj h GLN 77 Ca 0.17 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.85 2iqj h GLN 77 Cb 0.36 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.92 2iqj h GLN 77 CO 0.00 0.57 0.35 0.82 -0.67 0.00 0.00 178.83 179.91 2iqj h ILE 78 N 0.78 0.99 -0.12 2.54 1.08 -0.91 -2.69 117.51 119.19 2iqj h ILE 78 Ca 0.21 -0.23 -0.07 0.00 -0.39 0.00 0.00 64.86 64.38 2iqj h ILE 78 Cb -0.01 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 33.99 2iqj h ILE 78 CO -0.04 0.12 -0.22 1.56 -0.69 0.00 0.00 178.15 178.88 2iqj h GLN 79 N 0.67 0.21 -0.84 2.37 4.20 -0.45 -0.39 115.11 120.88 2iqj h GLN 79 Ca 0.27 -0.06 0.07 0.00 0.06 0.00 0.00 58.65 58.99 2iqj h GLN 79 Cb 0.13 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.84 2iqj h GLN 79 CO -0.16 0.43 0.55 0.00 -0.67 0.00 0.00 178.83 178.98 2iqj h MET 81 N 0.92 0.76 -0.13 0.00 2.86 -0.93 -3.14 114.93 115.27 2iqj h MET 81 Ca 0.37 -0.67 -0.11 0.00 -2.06 0.00 0.00 59.70 57.22 2iqj h MET 81 Cb 0.25 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 2iqj h MET 81 CO -0.13 1.27 -0.43 1.96 1.06 0.00 0.00 176.91 180.64 2iqj h GLN 82 N 0.49 0.30 -0.00 1.72 4.20 -0.70 -2.93 115.11 118.19 2iqj h GLN 82 Ca -0.08 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2iqj h GLN 82 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 2iqj h GLN 82 CO 0.17 0.67 -0.00 -0.85 -0.67 0.00 0.00 178.83 178.16 2iqj n GLU 83 N -4.01 0.90 0.00 1.46 0.28 0.46 -4.72 120.64 115.00 2iqj n GLU 83 Ca -0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.97 2iqj n GLU 83 Cb 0.50 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.87 2iqj n GLU 83 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 2iqj n MET 84 N -1.04 0.00 0.00 3.44 0.00 -1.14 -5.05 117.12 113.33 2iqj n MET 84 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.92 2iqj n MET 84 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.36 2iqj n MET 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2iqj n GLY 85 N 1.11 -1.16 0.19 -5.12 0.00 -0.15 -4.26 105.19 95.80 2iqj n GLY 85 Ca 0.00 -1.62 0.06 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 0.14 1.61 2.35 -1.83 -1.00 115.58 116.85 2iqj h ASN 86 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2iqj h ASN 86 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2iqj h ASN 86 CO 0.00 0.37 -0.07 1.23 -1.65 0.00 0.00 177.43 177.31 2iqj h GLY 87 N 2.15 -0.20 1.24 2.83 0.00 -1.85 -0.83 103.07 106.42 2iqj h GLY 87 Ca -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 47.33 2iqj h GLY 87 CO 0.05 -0.07 0.05 1.70 0.00 0.00 0.00 176.54 178.26 2iqj h LYS 88 N -0.70 0.92 -0.72 4.80 3.64 -1.73 -2.43 116.57 120.35 2iqj h LYS 88 Ca -0.02 -0.25 0.02 0.00 -1.27 0.00 0.00 60.65 59.14 2iqj h LYS 88 Cb 0.51 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.18 2iqj h LYS 88 CO 0.03 0.89 0.48 0.00 -2.27 0.00 0.00 179.45 178.57 2iqj h ALA 89 N 1.18 1.53 -0.42 5.00 0.00 -1.21 -1.89 119.26 123.45 2iqj h ALA 89 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2iqj h ALA 89 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2iqj h ALA 89 CO 0.02 0.41 0.16 -0.97 0.00 0.00 0.00 179.25 178.87 2iqj h ASN 90 N 0.93 0.59 0.30 0.00 -0.73 -0.79 0.17 115.58 116.05 2iqj h ASN 90 Ca 0.27 -0.17 -0.06 0.00 1.87 0.00 0.00 56.30 58.21 2iqj h ASN 90 Cb -0.03 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 38.40 2iqj h ASN 90 CO -0.07 0.60 -0.27 0.03 -0.37 0.00 0.00 177.43 177.35 2iqj h ARG 91 N 0.54 0.00 0.00 6.67 3.08 -1.12 -0.61 114.38 122.95 2iqj h ARG 91 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2iqj h ARG 91 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2iqj h ARG 91 CO -0.01 0.27 -0.14 1.25 -1.07 0.00 0.00 179.97 180.27 2iqj h LEU 92 N 0.00 0.00 0.00 3.04 5.85 -1.24 -3.32 115.31 119.64 2iqj h LEU 92 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2iqj h LEU 92 Cb 0.50 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2iqj h LEU 92 CO 0.04 0.35 -0.19 1.88 -0.34 0.00 0.00 178.44 180.18 2iqj h TYR 93 N -0.56 0.00 0.00 1.25 0.05 -0.74 -1.00 116.97 115.97 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 0.14 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.87 2iqj h TYR 93 CO -0.06 0.14 -0.19 0.39 -1.05 0.00 0.00 178.16 177.39 2iqj n GLU 94 N -3.11 1.20 -0.19 4.88 1.02 -0.26 -3.69 120.64 120.49 2iqj n GLU 94 Ca 0.03 -2.59 -0.00 0.00 -0.02 0.00 0.00 57.16 54.58 2iqj n GLU 94 Cb 0.59 -1.40 0.09 0.00 -0.02 0.00 0.00 31.44 30.70 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 0.25 0.61 -0.57 0.62 0.00 -1.07 -2.76 119.26 116.34 2iqj h ALA 95 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2iqj h ALA 95 Cb 1.06 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2iqj h ALA 95 CO 0.00 -0.35 0.00 0.66 0.00 0.00 0.00 179.25 179.56 2iqj n TYR 96 N -5.20 1.66 -2.40 0.00 4.01 0.67 -4.93 117.16 110.97 2iqj n TYR 96 Ca 0.08 -0.69 -0.43 0.00 -0.16 0.00 0.00 57.90 56.70 2iqj n TYR 96 Cb 0.31 -0.36 -0.02 0.00 -0.31 0.00 0.00 39.34 38.96 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 -2.31 4.05 0.33 7.72 2.96 -1.04 -4.93 118.68 125.45 2iqj s LEU 97 Ca 0.51 1.50 -0.28 0.00 -0.22 0.00 0.00 54.13 55.65 2iqj s LEU 97 Cb 0.36 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.39 2iqj s LEU 97 CO 0.19 -0.92 1.11 -2.65 -1.32 0.00 0.00 176.35 172.77 2iqj n PRO 98 N 6.96 1.65 0.11 0.98 -0.02 -1.26 -4.86 135.00 138.55 2iqj n PRO 98 Ca 0.15 0.58 0.16 0.00 -2.02 0.00 0.00 63.50 62.36 2iqj n PRO 98 Cb 0.46 -2.05 0.70 0.00 -0.02 0.00 0.00 33.50 32.58 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 2.14 0.00 0.00 -0.52 9.09 -1.98 -1.62 114.58 121.68 2iqj h GLU 99 Ca -0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.98 2iqj h GLU 99 Cb 1.32 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 2iqj h GLU 99 CO 0.61 0.00 0.00 0.25 0.05 0.00 0.00 179.01 179.92 2iqj n THR 100 N -4.34 0.12 -2.23 -1.06 -2.24 -1.26 -4.92 114.28 98.35 2iqj n THR 100 Ca 0.04 0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.45 2iqj n THR 100 Cb 0.40 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 2iqj n THR 100 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2iqj s PHE 101 N -2.48 3.24 -0.62 4.78 5.36 -0.61 -4.98 117.98 122.67 2iqj s PHE 101 Ca 0.28 1.39 -0.17 0.00 -0.96 0.00 0.00 56.93 57.47 2iqj s PHE 101 Cb 0.18 -3.57 0.13 0.00 -0.34 0.00 0.00 43.02 39.42 2iqj s PHE 101 CO 0.39 -1.62 0.65 -0.98 -1.46 0.00 0.00 175.22 172.20 2iqj s ARG 102 N -1.03 3.13 0.07 10.12 1.70 -1.26 -5.02 118.95 126.66 2iqj s ARG 102 Ca 0.51 -1.67 -0.31 0.00 -0.47 0.00 0.00 55.73 53.79 2iqj s ARG 102 Cb -0.37 -4.34 -0.10 0.00 -0.57 0.00 0.00 34.95 29.57 2iqj s ARG 102 CO 0.44 -1.43 1.90 -2.13 -1.08 0.00 0.00 175.30 173.01 2iqj n ARG 103 N 5.55 2.76 -1.27 3.89 0.63 -1.26 -4.94 116.66 122.03 2iqj n ARG 103 Ca -0.06 1.01 -0.30 0.00 -0.92 0.00 0.00 57.85 57.57 2iqj n ARG 103 Cb 0.42 -2.93 0.11 0.00 0.45 0.00 0.00 32.46 30.52 2iqj n ARG 103 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2iqj s PRO 104 N 3.61 1.79 0.00 -0.14 0.04 -1.26 -4.98 135.00 134.06 2iqj s PRO 104 Ca 0.86 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.86 2iqj s PRO 104 Cb -0.48 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.20 2iqj s PRO 104 CO 0.41 -1.91 0.00 0.94 0.04 0.00 0.00 177.00 176.48 2iqj n GLN 105 N -3.67 1.83 -3.50 4.56 -0.06 -1.26 -4.68 117.38 110.60 2iqj n GLN 105 Ca 0.08 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.73 2iqj n GLN 105 Cb 0.54 -0.71 -0.05 0.00 -4.06 0.00 0.00 30.24 25.95 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 -1.39 5.01 0.09 1.69 -4.36 -1.26 -4.89 121.20 116.09 2iqj s ILE 106 Ca 0.00 0.55 -0.18 0.00 -0.26 0.00 0.00 60.65 60.76 2iqj s ILE 106 Cb 0.00 -3.67 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 2iqj s ILE 106 CO 0.00 0.22 1.30 0.44 0.24 0.00 0.00 174.94 177.15 2iqj h ASP 107 N 3.49 -1.19 -0.12 4.36 3.32 -1.98 -0.64 116.42 123.66 2iqj h ASP 107 Ca -0.48 0.18 -0.02 0.00 0.02 0.00 0.00 57.03 56.72 2iqj h ASP 107 Cb 1.19 0.52 -0.01 0.00 0.22 0.00 0.00 39.33 41.25 2iqj h ASP 107 CO 0.67 -0.15 0.03 1.55 -1.72 0.00 0.00 179.24 179.62 2iqj h PRO 108 N -0.04 0.28 -0.23 3.56 0.13 -1.99 0.08 132.00 133.79 2iqj h PRO 108 Ca 0.08 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.12 2iqj h PRO 108 Cb 0.25 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 2iqj h PRO 108 CO -0.49 0.28 -0.06 0.00 -0.23 0.00 0.00 178.00 177.50 2iqj h ALA 109 N 1.76 0.31 -0.70 -0.56 0.00 -1.76 -2.88 119.26 115.44 2iqj h ALA 109 Ca 0.07 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 2iqj h ALA 109 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2iqj h ALA 109 CO -0.00 0.11 0.21 0.28 0.00 0.00 0.00 179.25 179.85 2iqj h VAL 110 N 0.17 1.26 -0.29 0.00 2.07 -0.61 -2.29 116.25 116.56 2iqj h VAL 110 Ca 0.06 -0.90 0.05 0.00 0.82 0.00 0.00 66.70 66.72 2iqj h VAL 110 Cb 0.52 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2iqj h VAL 110 CO 0.02 0.35 0.03 -0.33 0.02 0.00 0.00 177.57 177.66 2iqj h GLU 111 N 1.03 0.12 -0.58 1.57 5.08 -0.98 0.71 114.58 121.53 2iqj h GLU 111 Ca 0.22 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 2iqj h GLU 111 Cb 0.32 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2iqj h GLU 111 CO -0.01 0.08 0.12 0.78 -1.00 0.00 0.00 179.01 178.98 2iqj h GLY 112 N 0.12 0.98 0.95 -3.84 0.00 -1.41 -1.75 103.07 98.10 2iqj h GLY 112 Ca 0.14 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 2iqj h GLY 112 CO -0.21 0.55 0.16 -2.75 0.00 0.00 0.00 176.54 174.29 2iqj h PHE 113 N 0.87 0.63 -0.53 5.60 3.57 -0.85 -1.52 116.94 124.70 2iqj h PHE 113 Ca 0.18 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 2iqj h PHE 113 Cb 0.34 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 2iqj h PHE 113 CO 0.02 0.56 0.20 0.82 -2.23 0.00 0.00 178.31 177.68 2iqj h ILE 114 N 0.52 1.22 -0.27 1.41 2.04 -0.73 -0.56 117.51 121.14 2iqj h ILE 114 Ca 0.14 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 2iqj h ILE 114 Cb 0.20 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 2iqj h ILE 114 CO -0.01 0.27 0.14 -0.09 0.00 0.00 0.00 178.15 178.45 2iqj h ARG 115 N 0.73 0.39 -0.49 2.37 2.43 -1.23 -2.20 114.38 116.37 2iqj h ARG 115 Ca 0.18 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.39 2iqj h ARG 115 Cb 0.22 -0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 29.61 2iqj h ARG 115 CO -0.01 0.37 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.36 2iqj h ASP 116 N 0.31 -0.23 0.25 -3.80 3.32 -1.06 0.07 116.42 115.27 2iqj h ASP 116 Ca 0.09 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2iqj h ASP 116 Cb 0.10 0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2iqj h ASP 116 CO -0.01 -0.08 -0.12 0.11 -1.72 0.00 0.00 179.24 177.42 2iqj h LYS 117 N 0.10 -0.32 0.00 3.56 1.57 -0.92 -0.19 116.57 120.37 2iqj h LYS 117 Ca 0.24 0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.69 2iqj h LYS 117 Cb 0.37 0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 2iqj h LYS 117 CO -0.42 -0.19 -2.33 0.66 -0.57 0.00 0.00 179.45 176.60 2iqj n TYR 118 N -5.22 0.00 -0.12 -1.35 4.01 -0.84 -2.96 117.16 110.68 2iqj n TYR 118 Ca -0.09 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.43 2iqj n TYR 118 Cb 0.17 -0.95 -0.08 0.00 -0.31 0.00 0.00 39.34 38.17 2iqj n TYR 118 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2iqj n GLU 119 N -2.81 0.56 0.12 -0.72 2.13 -0.06 -4.43 120.64 115.44 2iqj n GLU 119 Ca -0.34 0.36 0.13 0.00 0.66 0.00 0.00 57.16 57.97 2iqj n GLU 119 Cb 1.09 -1.57 0.44 0.00 0.27 0.00 0.00 31.44 31.68 2iqj n GLU 119 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2iqj h LYS 120 N -1.00 0.00 -5.66 5.31 1.57 -1.39 -3.47 116.57 111.92 2iqj h LYS 120 Ca -0.42 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.95 2iqj h LYS 120 Cb 1.32 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.54 2iqj h LYS 120 CO -0.26 0.00 -0.61 1.63 -0.57 0.00 0.00 179.45 179.64 2iqj n LYS 121 N -2.30 -3.62 0.13 3.15 5.02 -0.52 -4.82 118.16 115.20 2iqj n LYS 121 Ca 0.04 0.49 0.06 0.00 -2.02 0.00 0.00 58.31 56.87 2iqj n LYS 121 Cb 0.35 -5.22 0.52 0.00 -0.02 0.00 0.00 35.03 30.65 2iqj n LYS 121 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2iqj h LYS 122 N -1.16 0.27 -0.14 1.97 3.64 -1.25 -2.60 116.57 117.30 2iqj h LYS 122 Ca -0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2iqj h LYS 122 Cb 1.31 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2iqj h LYS 122 CO 0.58 0.20 0.00 0.66 -2.27 0.00 0.00 179.45 178.61 2iqj n TYR 123 N -4.49 0.30 -3.11 1.91 4.01 -1.26 -4.97 117.16 109.55 2iqj n TYR 123 Ca 0.00 -0.68 -0.39 0.00 -0.16 0.00 0.00 57.90 56.67 2iqj n TYR 123 Cb 0.09 -0.11 -0.06 0.00 -0.31 0.00 0.00 39.34 38.95 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 -1.74 4.40 -0.56 -0.72 1.75 -0.98 -0.24 119.30 121.21 2iqj s MET 124 Ca 0.21 0.91 -0.27 0.00 -1.25 0.00 0.00 55.69 55.29 2iqj s MET 124 Cb 0.15 -3.32 0.03 0.00 2.84 0.00 0.00 34.83 34.54 2iqj s MET 124 CO 0.06 0.42 1.09 0.34 -0.65 0.00 0.00 175.02 176.29 2iqj s ASP 125 N -0.46 6.42 0.41 1.11 -1.08 -0.38 -4.86 116.67 117.82 2iqj s ASP 125 Ca 0.34 -0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.55 2iqj s ASP 125 Cb -0.20 -2.51 0.74 0.00 -1.46 0.00 0.00 42.92 39.49 2iqj s ASP 125 CO 0.21 -1.37 1.75 0.03 0.52 0.00 0.00 175.17 176.31 2iqj h ARG 126 N 9.43 0.00 -0.07 4.34 3.08 -1.95 -1.66 114.38 127.55 2iqj h ARG 126 Ca -0.25 0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.82 2iqj h ARG 126 Cb 1.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.11 2iqj h ARG 126 CO 1.14 0.26 0.08 0.66 -1.07 0.00 0.00 179.97 181.05 2iqj h SER 127 N 0.00 0.00 -0.18 7.04 4.64 -1.99 -1.25 113.55 121.82 2iqj h SER 127 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iqj h SER 127 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2iqj h SER 127 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 2iqj n LEU 128 N -3.76 2.19 -3.67 5.97 4.77 -0.63 -4.69 117.00 117.19 2iqj n LEU 128 Ca -0.01 -0.88 -0.41 0.00 -0.03 0.00 0.00 56.01 54.68 2iqj n LEU 128 Cb 0.18 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2iqj n LEU 128 CO 0.27 0.44 2.47 -0.67 -1.33 0.00 0.00 177.39 178.56 2iqj n ASP 129 N 0.68 5.83 0.24 -1.43 -0.08 -0.47 -4.78 116.55 116.54 2iqj n ASP 129 Ca 0.17 -2.96 0.10 0.00 -1.51 0.00 0.00 54.79 50.59 2iqj n ASP 129 Cb 0.43 -1.52 0.61 0.00 2.34 0.00 0.00 41.12 42.98 2iqj n ASP 129 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2iqj h ILE 130 N 3.49 0.73 -0.04 5.18 3.07 -1.84 -1.98 117.51 126.12 2iqj h ILE 130 Ca 0.57 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 66.25 2iqj h ILE 130 Cb 0.52 1.45 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2iqj h ILE 130 CO 1.70 0.18 0.00 0.59 -1.05 0.00 0.00 178.15 179.57 2iqj n ASN 131 N -3.75 2.06 -0.77 2.16 3.02 -1.26 -5.24 115.26 111.48 2iqj n ASN 131 Ca -0.02 -1.69 0.13 0.00 -0.03 0.00 0.00 54.58 52.97 2iqj n ASN 131 Cb 0.29 -0.02 0.27 0.00 -0.61 0.00 0.00 39.78 39.71 2iqj n ASN 131 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64