#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqf s VAL 2 N 0.00 3.87 -0.19 3.17 -7.23 -1.26 -5.12 120.40 113.64 2iqf s VAL 2 Ca 0.00 -0.41 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 2iqf s VAL 2 Cb 0.00 -2.61 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 2iqf s VAL 2 CO 0.00 0.58 0.04 0.20 -0.31 0.00 0.00 175.10 175.61 2iqf s ASN 3 N -0.58 5.30 -0.10 4.85 -0.87 -1.26 -5.09 114.94 117.19 2iqf s ASN 3 Ca 0.09 -0.04 -0.09 0.00 -1.57 0.00 0.00 52.86 51.26 2iqf s ASN 3 Cb -0.12 -1.91 0.03 0.00 -0.02 0.00 0.00 41.25 39.23 2iqf s ASN 3 CO 0.02 0.13 0.26 -0.75 -2.57 0.00 0.00 177.10 174.19 2iqf s LYS 4 N 0.63 0.30 -0.04 -0.60 2.20 -1.26 -5.13 119.74 115.84 2iqf s LYS 4 Ca 0.02 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.72 2iqf s LYS 4 Cb -0.13 0.11 -0.05 0.00 -1.51 0.00 0.00 37.83 36.25 2iqf s LYS 4 CO 0.02 -0.05 1.42 -0.51 -0.36 0.00 0.00 175.35 175.86 2iqf s ASP 5 N 0.30 6.84 0.02 1.43 1.01 -1.26 -4.99 116.67 120.01 2iqf s ASP 5 Ca -0.01 2.05 0.01 0.00 0.71 0.00 0.00 52.55 55.30 2iqf s ASP 5 Cb -0.03 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2iqf s ASP 5 CO -0.01 -0.76 -0.03 0.68 0.21 0.00 0.00 175.17 175.26 2iqf s VAL 6 N 2.89 0.18 -0.17 -1.27 -7.23 -1.26 -5.12 120.40 108.42 2iqf s VAL 6 Ca 0.64 -0.65 -0.29 0.00 -1.81 0.00 0.00 61.98 59.87 2iqf s VAL 6 Cb -0.30 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.35 2iqf s VAL 6 CO 0.25 -0.30 1.46 -0.54 -0.31 0.00 0.00 175.10 175.66 2iqf s LYS 7 N -0.99 4.05 0.11 4.82 1.02 -1.26 -4.99 119.74 122.50 2iqf s LYS 7 Ca -0.09 1.74 -0.30 0.00 0.02 0.00 0.00 55.97 57.33 2iqf s LYS 7 Cb -0.07 -3.91 -0.06 0.00 -0.52 0.00 0.00 37.83 33.27 2iqf s LYS 7 CO -0.00 -0.96 1.02 -1.14 -0.92 0.00 0.00 175.35 173.35 2iqf s GLN 8 N 4.05 4.62 0.22 1.68 0.74 -1.26 -5.03 119.66 124.69 2iqf s GLN 8 Ca 0.64 1.55 -0.00 0.00 0.05 0.00 0.00 55.36 57.60 2iqf s GLN 8 Cb -0.25 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 2iqf s GLN 8 CO 0.24 0.09 0.13 0.95 -0.55 0.00 0.00 175.29 176.15 2iqf s THR 9 N 0.19 0.10 1.02 -0.34 -4.23 -1.26 -1.74 115.64 109.38 2iqf s THR 9 Ca 0.49 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.88 2iqf s THR 9 Cb -0.25 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.27 2iqf s THR 9 CO 0.31 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.90 2iqf s THR 10 N -4.04 1.99 -0.35 3.99 -4.23 0.13 -4.77 115.64 108.37 2iqf s THR 10 Ca 0.39 0.00 0.18 0.00 -1.18 0.00 0.00 61.69 61.08 2iqf s THR 10 Cb 0.07 -2.48 0.19 0.00 1.34 0.00 0.00 72.50 71.61 2iqf s THR 10 CO 0.13 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.78 2iqf n ALA 11 N -4.25 1.09 -0.39 3.99 0.00 -1.26 -2.04 120.51 117.64 2iqf n ALA 11 Ca 0.05 0.16 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2iqf n ALA 11 Cb 0.57 -1.27 0.28 0.00 0.00 0.00 0.00 19.45 19.03 2iqf n ALA 11 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2iqf n PHE 12 N -2.14 0.93 -0.72 0.00 3.01 -1.26 -4.97 117.46 112.31 2iqf n PHE 12 Ca -0.01 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.91 2iqf n PHE 12 Cb 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2iqf n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2iqf n GLY 13 N 1.14 0.78 3.74 1.37 0.00 -0.87 -5.05 105.19 106.30 2iqf n GLY 13 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2iqf n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iqf s ALA 14 N -2.89 3.29 0.34 4.61 0.00 -1.26 -4.79 121.76 121.05 2iqf s ALA 14 Ca 0.00 0.59 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 2iqf s ALA 14 Cb 0.00 -3.24 -0.12 0.00 0.00 0.00 0.00 23.12 19.77 2iqf s ALA 14 CO 0.00 0.08 1.43 -2.30 0.00 0.00 0.00 175.76 174.97 2iqf n PRO 15 N 2.20 2.45 -3.00 0.00 -0.02 -1.26 -0.70 135.00 134.67 2iqf n PRO 15 Ca 0.00 0.86 -0.41 0.00 -2.02 0.00 0.00 63.50 61.93 2iqf n PRO 15 Cb 0.48 -2.54 -0.05 0.00 -0.02 0.00 0.00 33.50 31.37 2iqf n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2iqf s VAL 16 N -0.87 4.93 -0.38 -1.45 1.01 -0.71 -4.77 120.40 118.17 2iqf s VAL 16 Ca 0.57 1.38 0.18 0.00 0.00 0.00 0.00 61.98 64.10 2iqf s VAL 16 Cb -0.52 -4.03 -0.24 0.00 0.00 0.00 0.00 36.38 31.59 2iqf s VAL 16 CO 0.60 0.03 0.55 -2.67 0.00 0.00 0.00 175.10 173.61 2iqf n TRP 17 N 5.44 0.00 -3.31 5.22 4.27 -1.26 -4.86 117.44 122.94 2iqf n TRP 17 Ca 0.02 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.54 2iqf n TRP 17 Cb 0.49 -0.22 -0.06 0.00 -1.36 0.00 0.00 31.31 30.15 2iqf n TRP 17 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2iqf s ASP 18 N -3.42 0.32 -0.05 -0.67 -1.08 -1.26 -5.01 116.67 105.51 2iqf s ASP 18 Ca -0.01 -0.18 0.13 0.00 -0.52 0.00 0.00 52.55 51.97 2iqf s ASP 18 Cb 0.12 1.12 0.45 0.00 -1.46 0.00 0.00 42.92 43.16 2iqf s ASP 18 CO 0.73 -0.34 1.33 -0.67 0.52 0.00 0.00 175.17 176.74 2iqf n ASP 19 N 5.36 2.97 0.00 -0.34 2.03 -1.26 -4.38 116.55 120.93 2iqf n ASP 19 Ca -0.01 -2.18 0.00 0.00 0.52 0.00 0.00 54.79 53.13 2iqf n ASP 19 Cb 0.50 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2iqf n ASP 19 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2iqf n ASN 20 N 0.74 2.57 -3.93 1.67 3.02 -1.26 -5.04 115.26 113.02 2iqf n ASN 20 Ca 0.16 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.51 2iqf n ASN 20 Cb 0.53 0.39 -0.16 0.00 -0.61 0.00 0.00 39.78 39.94 2iqf n ASN 20 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2iqf s ASN 21 N -1.50 1.03 1.15 6.41 0.01 -1.26 -5.16 114.94 115.62 2iqf s ASN 21 Ca 0.00 -0.15 -0.18 0.00 -0.71 0.00 0.00 52.86 51.82 2iqf s ASN 21 Cb 0.00 -0.44 0.26 0.00 0.41 0.00 0.00 41.25 41.49 2iqf s ASN 21 CO 0.00 -0.01 1.12 0.68 -1.51 0.00 0.00 177.10 177.38 2iqf s VAL 22 N 0.67 1.69 -0.10 1.60 -7.23 -1.26 -4.88 120.40 110.89 2iqf s VAL 22 Ca -0.10 0.00 -0.19 0.00 -1.81 0.00 0.00 61.98 59.89 2iqf s VAL 22 Cb -0.13 -2.53 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2iqf s VAL 22 CO 0.01 0.00 0.50 -0.63 -0.31 0.00 0.00 175.10 174.67 2iqf s ILE 23 N -3.06 5.16 0.07 -0.62 -1.09 -1.26 -5.03 121.20 115.37 2iqf s ILE 23 Ca 0.70 1.01 0.01 0.00 -2.23 0.00 0.00 60.65 60.14 2iqf s ILE 23 Cb -0.11 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.89 2iqf s ILE 23 CO 0.56 0.33 -0.05 0.42 -1.23 0.00 0.00 174.94 174.97 2iqf s THR 24 N 0.56 0.48 -0.99 2.92 -4.23 -1.26 -0.85 115.64 112.27 2iqf s THR 24 Ca 0.27 -1.81 -0.20 0.00 -1.18 0.00 0.00 61.69 58.78 2iqf s THR 24 Cb -0.16 -1.52 0.11 0.00 1.34 0.00 0.00 72.50 72.27 2iqf s THR 24 CO 0.11 -0.89 1.26 0.00 -0.54 0.00 0.00 174.62 174.57 2iqf s ALA 25 N -3.56 3.21 0.00 3.99 0.00 -1.05 -4.81 121.76 119.54 2iqf s ALA 25 Ca 0.08 -2.66 0.00 0.00 0.00 0.00 0.00 51.96 49.38 2iqf s ALA 25 Cb 0.05 -4.22 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2iqf s ALA 25 CO -0.06 -3.17 0.00 0.41 0.00 0.00 0.00 175.76 172.94 2iqf n GLY 26 N 5.82 -1.93 0.27 0.00 0.00 -1.26 -3.27 105.19 104.82 2iqf n GLY 26 Ca 0.28 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.92 2iqf n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iqf h PRO 27 N 0.00 0.00 -0.28 1.61 0.13 -2.01 -2.02 132.00 129.43 2iqf h PRO 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2iqf h PRO 27 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2iqf h PRO 27 CO 0.00 0.08 0.00 0.54 -0.23 0.00 0.00 178.00 178.39 2iqf n ARG 28 N -3.75 2.52 -1.83 0.86 1.74 -1.26 -5.06 116.66 109.88 2iqf n ARG 28 Ca -0.02 -1.89 -0.29 0.00 -0.77 0.00 0.00 57.85 54.87 2iqf n ARG 28 Cb 0.18 -1.25 0.13 0.00 -1.02 0.00 0.00 32.46 30.49 2iqf n ARG 28 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2iqf s GLY 29 N -0.98 1.64 0.87 -0.13 0.00 -0.76 -5.04 107.32 102.91 2iqf s GLY 29 Ca 0.21 -0.78 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 2iqf s GLY 29 CO 0.15 -0.19 1.11 2.56 0.00 0.00 0.00 173.10 176.72 2iqf s PRO 30 N -5.61 1.46 0.10 2.90 0.04 -1.26 -4.50 135.00 128.14 2iqf s PRO 30 Ca 0.66 1.28 -0.27 0.00 0.04 0.00 0.00 61.00 62.71 2iqf s PRO 30 Cb -0.10 -1.80 -0.06 0.00 0.04 0.00 0.00 34.50 32.58 2iqf s PRO 30 CO 0.51 -2.24 0.83 0.08 0.04 0.00 0.00 177.00 176.23 2iqf s VAL 31 N -2.78 4.55 0.05 -0.36 1.01 -1.26 -2.52 120.40 119.09 2iqf s VAL 31 Ca 0.64 1.80 -0.14 0.00 0.00 0.00 0.00 61.98 64.28 2iqf s VAL 31 Cb -0.20 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 2iqf s VAL 31 CO 0.57 0.39 0.44 -0.76 0.00 0.00 0.00 175.10 175.75 2iqf s LEU 32 N -0.33 4.43 0.56 3.92 1.02 -0.03 -4.97 118.68 123.27 2iqf s LEU 32 Ca 0.40 0.97 0.24 0.00 0.02 0.00 0.00 54.13 55.76 2iqf s LEU 32 Cb -0.22 -2.80 1.53 0.00 0.02 0.00 0.00 46.19 44.72 2iqf s LEU 32 CO 0.26 0.25 2.15 0.25 0.02 0.00 0.00 176.35 179.29 2iqf h LEU 33 N 4.30 0.00 0.00 1.79 5.85 -1.97 -1.87 115.31 123.41 2iqf h LEU 33 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2iqf h LEU 33 Cb 1.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2iqf h LEU 33 CO 0.63 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.73 2iqf n GLN 34 N -4.15 0.59 -1.38 1.25 10.64 -1.26 -4.25 117.38 118.82 2iqf n GLN 34 Ca -0.00 0.00 -0.39 0.00 -1.83 0.00 0.00 57.00 54.78 2iqf n GLN 34 Cb 0.21 -1.33 -0.06 0.00 -0.86 0.00 0.00 30.24 28.20 2iqf n GLN 34 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 2iqf n SER 35 N -0.83 2.58 0.08 2.61 7.64 -0.71 -4.72 113.62 120.27 2iqf n SER 35 Ca 0.09 -2.67 -0.08 0.00 1.01 0.00 0.00 58.87 57.22 2iqf n SER 35 Cb 0.04 -1.26 0.03 0.00 -1.01 0.00 0.00 64.21 62.01 2iqf n SER 35 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2iqf h THR 36 N 5.01 1.45 -0.23 0.44 1.35 -1.89 -1.48 112.91 117.57 2iqf h THR 36 Ca 0.35 -2.41 -0.03 0.00 -0.55 0.00 0.00 66.41 63.77 2iqf h THR 36 Cb 0.75 2.32 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 2iqf h THR 36 CO 1.75 0.71 0.01 -0.25 -0.25 0.00 0.00 175.52 177.48 2iqf h TRP 37 N 0.14 0.43 -0.70 4.73 -0.00 -1.96 -1.57 115.95 117.02 2iqf h TRP 37 Ca -0.03 -0.07 0.13 0.00 -0.00 0.00 0.00 58.89 58.91 2iqf h TRP 37 Cb 1.39 -0.11 -0.13 0.00 -0.00 0.00 0.00 29.16 30.31 2iqf h TRP 37 CO 0.03 0.56 -0.30 0.35 -0.00 0.00 0.00 178.44 179.08 2iqf h PHE 38 N 0.17 -0.79 -0.47 2.65 3.57 -1.88 0.20 116.94 120.39 2iqf h PHE 38 Ca 0.07 0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2iqf h PHE 38 Cb 0.38 0.45 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2iqf h PHE 38 CO 0.03 -0.37 0.28 -0.07 -2.23 0.00 0.00 178.31 175.95 2iqf h LEU 39 N -0.09 0.58 -0.25 0.59 3.38 -1.11 0.28 115.31 118.69 2iqf h LEU 39 Ca 0.29 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 2iqf h LEU 39 Cb 0.56 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2iqf h LEU 39 CO -0.76 0.48 0.05 -0.08 0.09 0.00 0.00 178.44 178.22 2iqf h GLU 40 N 0.63 0.41 -0.25 1.13 4.81 -0.65 0.09 114.58 120.74 2iqf h GLU 40 Ca 0.17 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2iqf h GLU 40 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2iqf h GLU 40 CO -0.03 0.52 0.15 -0.22 -0.73 0.00 0.00 179.01 178.70 2iqf h LYS 41 N 0.23 0.35 -0.20 1.92 3.64 -0.44 -0.59 116.57 121.48 2iqf h LYS 41 Ca 0.08 -0.03 -0.20 0.00 -1.27 0.00 0.00 60.65 59.22 2iqf h LYS 41 Cb 0.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2iqf h LYS 41 CO 0.00 0.29 -0.68 -0.07 -2.27 0.00 0.00 179.45 176.72 2iqf h LEU 42 N 0.31 0.89 -1.09 5.20 -0.00 -0.94 -1.81 115.31 117.87 2iqf h LEU 42 Ca 0.09 -0.54 -0.04 0.00 -0.00 0.00 0.00 57.88 57.39 2iqf h LEU 42 Cb 0.03 -0.26 -0.03 0.00 -0.00 0.00 0.00 40.66 40.41 2iqf h LEU 42 CO -0.02 1.33 0.16 0.00 -0.00 0.00 0.00 178.44 179.91 2iqf h ALA 43 N 0.67 1.27 -0.30 1.53 0.00 -0.83 0.14 119.26 121.75 2iqf h ALA 43 Ca -0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2iqf h ALA 43 Cb 1.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2iqf h ALA 43 CO 0.14 0.52 0.04 0.00 0.00 0.00 0.00 179.25 179.95 2iqf h ALA 44 N 1.39 0.39 -0.60 0.00 0.00 -1.08 -3.03 119.26 116.34 2iqf h ALA 44 Ca 0.18 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2iqf h ALA 44 Cb 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2iqf h ALA 44 CO -0.01 0.09 0.38 0.35 0.00 0.00 0.00 179.25 180.06 2iqf h PHE 45 N 0.31 0.77 0.00 0.00 3.57 -0.98 -1.74 116.94 118.87 2iqf h PHE 45 Ca 0.09 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2iqf h PHE 45 Cb 0.35 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.83 2iqf h PHE 45 CO 0.02 0.51 0.00 -0.44 -2.23 0.00 0.00 178.31 176.17 2iqf h ASP 46 N 0.81 0.00 -0.07 0.41 3.45 -0.63 -2.00 116.42 118.40 2iqf h ASP 46 Ca 0.22 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.68 2iqf h ASP 46 Cb -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.71 2iqf h ASP 46 CO -0.04 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.17 2iqf n ARG 47 N -2.67 1.91 0.06 3.56 1.74 -0.67 -4.79 116.66 115.79 2iqf n ARG 47 Ca -0.02 -2.46 -0.00 0.00 -0.77 0.00 0.00 57.85 54.59 2iqf n ARG 47 Cb 0.06 -1.49 0.30 0.00 -1.02 0.00 0.00 32.46 30.31 2iqf n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2iqf h GLU 48 N 0.44 0.38 -6.12 5.56 5.08 -1.11 -3.43 114.58 115.38 2iqf h GLU 48 Ca 0.00 -0.11 -0.57 0.00 -1.00 0.00 0.00 59.36 57.68 2iqf h GLU 48 Cb 1.01 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.17 2iqf h GLU 48 CO 0.04 0.53 -0.02 1.03 -1.00 0.00 0.00 179.01 179.59 2iqf s ARG 49 N -4.69 4.29 0.32 2.33 1.81 -1.26 -5.08 118.95 116.67 2iqf s ARG 49 Ca -0.06 0.73 0.09 0.00 -1.72 0.00 0.00 55.73 54.77 2iqf s ARG 49 Cb 0.15 -3.32 -0.05 0.00 -0.45 0.00 0.00 34.95 31.29 2iqf s ARG 49 CO 0.76 0.43 0.07 0.96 -0.68 0.00 0.00 175.30 176.84 2iqf s ILE 50 N -0.41 3.02 0.33 1.52 -4.36 -1.26 -5.09 121.20 114.95 2iqf s ILE 50 Ca 0.30 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.58 2iqf s ILE 50 Cb -0.18 -2.89 -0.12 0.00 1.25 0.00 0.00 42.46 40.51 2iqf s ILE 50 CO 0.18 -0.24 1.45 -2.65 0.24 0.00 0.00 174.94 173.92 2iqf n PRO 51 N -1.03 2.45 -1.44 0.37 -0.02 -1.26 -4.96 135.00 129.11 2iqf n PRO 51 Ca -0.04 0.86 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 2iqf n PRO 51 Cb 0.61 -2.56 0.09 0.00 -0.02 0.00 0.00 33.50 31.62 2iqf n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2iqf s GLU 52 N -1.41 2.13 0.32 -0.52 -1.05 -1.26 -4.96 118.70 111.95 2iqf s GLU 52 Ca 0.58 0.82 -0.29 0.00 -0.15 0.00 0.00 54.97 55.93 2iqf s GLU 52 Cb -0.53 -1.91 -0.12 0.00 -0.44 0.00 0.00 34.13 31.13 2iqf s GLU 52 CO 0.58 -1.63 1.45 0.54 0.95 0.00 0.00 175.26 177.14 2iqf n ARG 53 N -3.47 2.41 0.22 -4.83 1.74 -1.26 -4.88 116.66 106.59 2iqf n ARG 53 Ca 0.07 0.85 0.06 0.00 -0.77 0.00 0.00 57.85 58.07 2iqf n ARG 53 Cb 0.55 -2.54 0.50 0.00 -1.02 0.00 0.00 32.46 29.94 2iqf n ARG 53 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2iqf h VAL 54 N 2.98 1.05 -3.98 1.55 3.04 -1.98 -3.37 116.25 115.54 2iqf h VAL 54 Ca -0.47 -0.85 -0.19 0.00 -1.01 0.00 0.00 66.70 64.18 2iqf h VAL 54 Cb 1.25 1.47 -0.16 0.00 -2.01 0.00 0.00 31.29 31.85 2iqf h VAL 54 CO 0.70 0.23 -0.69 0.68 -1.01 0.00 0.00 177.57 177.48 2iqf s VAL 55 N -4.37 0.50 -1.40 1.51 -7.23 -1.26 -4.89 120.40 103.25 2iqf s VAL 55 Ca -0.03 -1.79 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2iqf s VAL 55 Cb 0.15 -1.50 0.00 0.00 0.56 0.00 0.00 36.38 35.59 2iqf s VAL 55 CO 0.68 -0.87 0.38 1.41 -0.31 0.00 0.00 175.10 176.40 2iqf n HIS 56 N 0.18 -1.47 0.15 2.82 -0.00 -0.53 -4.92 115.22 111.45 2iqf n HIS 56 Ca -0.14 0.33 0.03 0.00 -0.00 0.00 0.00 57.72 57.94 2iqf n HIS 56 Cb 0.60 -3.91 0.43 0.00 -0.00 0.00 0.00 29.99 27.11 2iqf n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2iqf h ALA 57 N 0.86 1.59 -2.94 -1.41 0.00 -1.73 -3.42 119.26 112.21 2iqf h ALA 57 Ca -0.45 -0.18 -0.64 0.00 0.00 0.00 0.00 54.91 53.64 2iqf h ALA 57 Cb 1.32 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 2iqf h ALA 57 CO 0.50 0.30 -0.54 0.21 0.00 0.00 0.00 179.25 179.72 2iqf s LYS 58 N -4.73 3.90 0.01 0.00 2.47 -1.26 -4.53 119.74 115.60 2iqf s LYS 58 Ca -0.05 -0.35 -0.05 0.00 -1.56 0.00 0.00 55.97 53.96 2iqf s LYS 58 Cb 0.16 -3.56 0.02 0.00 -1.46 0.00 0.00 37.83 32.98 2iqf s LYS 58 CO 0.72 -0.14 0.24 0.41 0.16 0.00 0.00 175.35 176.74 2iqf n GLY 59 N 4.90 0.79 3.12 5.54 0.00 -1.26 -1.86 105.19 116.41 2iqf n GLY 59 Ca -0.15 -0.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.85 2iqf n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2iqf s SER 60 N -1.54 0.01 0.09 1.61 0.01 0.12 -4.97 113.70 109.02 2iqf s SER 60 Ca 0.06 -0.18 -0.01 0.00 1.31 0.00 0.00 55.95 57.13 2iqf s SER 60 Cb -0.00 0.22 -0.04 0.00 0.21 0.00 0.00 66.02 66.40 2iqf s SER 60 CO 0.00 -0.37 0.01 -0.83 0.41 0.00 0.00 173.24 172.46 2iqf s GLY 61 N -1.37 0.75 0.04 3.44 0.00 -1.26 0.26 107.32 109.18 2iqf s GLY 61 Ca -0.14 -1.35 -0.24 0.00 0.00 0.00 0.00 44.72 42.99 2iqf s GLY 61 CO 0.02 -1.35 0.55 0.00 0.00 0.00 0.00 173.10 172.32 2iqf s ALA 62 N -3.96 -1.43 0.33 3.20 0.00 -0.54 -4.57 121.76 114.80 2iqf s ALA 62 Ca 0.16 0.72 -0.08 0.00 0.00 0.00 0.00 51.96 52.76 2iqf s ALA 62 Cb 0.08 0.35 -0.06 0.00 0.00 0.00 0.00 23.12 23.48 2iqf s ALA 62 CO -0.04 -0.50 0.64 0.71 0.00 0.00 0.00 175.76 176.58 2iqf s TYR 63 N -2.29 3.47 0.00 0.00 1.51 -0.02 -1.01 117.35 119.01 2iqf s TYR 63 Ca -0.06 0.83 0.00 0.00 -1.01 0.00 0.00 57.07 56.83 2iqf s TYR 63 Cb -0.01 -2.26 0.00 0.00 -0.11 0.00 0.00 41.96 39.58 2iqf s TYR 63 CO -0.00 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 2iqf n GLY 64 N -0.99 2.59 2.79 0.71 0.00 -0.34 -1.25 105.19 108.69 2iqf n GLY 64 Ca 0.00 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 2iqf n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2iqf s THR 65 N -2.94 -0.05 -0.14 2.61 2.01 0.62 -0.88 115.64 116.87 2iqf s THR 65 Ca 0.00 0.19 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 2iqf s THR 65 Cb 0.00 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 2iqf s THR 65 CO 0.00 0.08 0.06 0.12 -0.69 0.00 0.00 174.62 174.19 2iqf s PHE 66 N 0.97 3.29 -0.10 4.92 5.36 0.22 -0.81 117.98 131.81 2iqf s PHE 66 Ca -0.08 0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 2iqf s PHE 66 Cb -0.11 -1.96 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 2iqf s PHE 66 CO -0.03 0.35 -0.10 0.99 -1.46 0.00 0.00 175.22 174.98 2iqf s THR 67 N -0.27 1.14 0.16 0.12 2.01 0.24 -0.74 115.64 118.29 2iqf s THR 67 Ca 0.08 -0.39 -0.31 0.00 0.31 0.00 0.00 61.69 61.38 2iqf s THR 67 Cb -0.12 -1.11 -0.08 0.00 0.01 0.00 0.00 72.50 71.20 2iqf s THR 67 CO 0.02 0.38 1.35 -0.69 -0.69 0.00 0.00 174.62 174.99 2iqf s VAL 68 N 1.38 3.25 -0.03 3.82 1.01 -0.80 -0.82 120.40 128.21 2iqf s VAL 68 Ca -0.01 0.95 0.06 0.00 0.00 0.00 0.00 61.98 62.99 2iqf s VAL 68 Cb -0.14 -3.61 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 2iqf s VAL 68 CO -0.05 0.11 0.10 0.35 0.00 0.00 0.00 175.10 175.61 2iqf n THR 69 N 3.30 0.16 -4.12 3.92 -2.24 0.04 -0.76 114.28 114.58 2iqf n THR 69 Ca 0.09 -0.20 -0.13 0.00 -2.27 0.00 0.00 64.05 61.54 2iqf n THR 69 Cb 0.42 -0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.46 2iqf n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iqf s LYS 70 N -2.36 0.70 -0.46 -0.78 -0.14 -0.96 -4.88 119.74 110.86 2iqf s LYS 70 Ca -0.03 -1.04 -0.19 0.00 -1.36 0.00 0.00 55.97 53.35 2iqf s LYS 70 Cb 0.04 -0.32 0.04 0.00 -1.68 0.00 0.00 37.83 35.90 2iqf s LYS 70 CO 0.28 0.04 0.57 0.34 -0.76 0.00 0.00 175.35 175.82 2iqf s ASP 71 N -2.26 6.25 -0.23 2.83 -1.08 -1.26 -4.78 116.67 116.14 2iqf s ASP 71 Ca 0.01 -0.65 0.13 0.00 -0.52 0.00 0.00 52.55 51.52 2iqf s ASP 71 Cb -0.03 -2.28 0.52 0.00 -1.46 0.00 0.00 42.92 39.67 2iqf s ASP 71 CO -0.01 -0.76 1.45 2.30 0.52 0.00 0.00 175.17 178.66 2iqf n ILE 72 N 5.64 2.41 0.29 4.11 -5.35 -1.26 -4.74 119.36 120.45 2iqf n ILE 72 Ca -0.05 -2.21 0.09 0.00 -0.27 0.00 0.00 62.75 60.30 2iqf n ILE 72 Cb 0.47 -0.29 0.40 0.00 -1.74 0.00 0.00 39.64 38.48 2iqf n ILE 72 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2iqf n THR 73 N -0.79 1.12 0.04 7.28 -2.24 -1.26 -1.01 114.28 117.42 2iqf n THR 73 Ca 0.27 0.42 0.09 0.00 -2.27 0.00 0.00 64.05 62.56 2iqf n THR 73 Cb 0.97 -1.34 0.53 0.00 -2.10 0.00 0.00 70.33 68.38 2iqf n THR 73 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2iqf h LYS 74 N 0.00 0.31 0.00 -0.78 3.64 -2.00 -3.23 116.57 114.50 2iqf h LYS 74 Ca 0.00 -0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 59.01 2iqf h LYS 74 Cb 0.18 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 31.86 2iqf h LYS 74 CO 0.00 0.21 -2.33 0.66 -2.27 0.00 0.00 179.45 175.72 2iqf n TYR 75 N -4.48 0.00 -3.79 1.91 0.53 -0.18 -4.78 117.16 106.37 2iqf n TYR 75 Ca 0.04 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.80 2iqf n TYR 75 Cb 0.21 -0.95 -0.13 0.00 -1.03 0.00 0.00 39.34 37.44 2iqf n TYR 75 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 2iqf s THR 76 N -2.47 -0.01 -2.06 -0.72 -1.32 -1.08 -2.78 115.64 105.20 2iqf s THR 76 Ca -0.11 0.05 0.14 0.00 -1.21 0.00 0.00 61.69 60.55 2iqf s THR 76 Cb 0.06 -0.26 0.36 0.00 -1.51 0.00 0.00 72.50 71.15 2iqf s THR 76 CO 0.78 0.02 1.33 2.29 -2.21 0.00 0.00 174.62 176.83 2iqf n LYS 77 N 3.32 1.86 -1.74 7.08 2.85 -0.60 -4.23 118.16 126.70 2iqf n LYS 77 Ca -0.16 -1.32 -0.42 0.00 -1.05 0.00 0.00 58.31 55.36 2iqf n LYS 77 Cb 0.57 -1.32 -0.02 0.00 -0.65 0.00 0.00 35.03 33.61 2iqf n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2iqf s ALA 78 N -1.55 3.86 0.46 0.58 0.00 -1.24 -4.75 121.76 119.11 2iqf s ALA 78 Ca 0.27 1.59 0.14 0.00 0.00 0.00 0.00 51.96 53.96 2iqf s ALA 78 Cb 0.14 -3.68 1.07 0.00 0.00 0.00 0.00 23.12 20.66 2iqf s ALA 78 CO 0.19 -0.96 2.04 0.87 0.00 0.00 0.00 175.76 177.90 2iqf h LYS 79 N 5.93 0.31 -0.19 0.00 1.79 -1.94 -2.48 116.57 119.99 2iqf h LYS 79 Ca -0.45 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.05 2iqf h LYS 79 Cb 1.21 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 2iqf h LYS 79 CO 0.89 0.20 0.13 0.97 -1.08 0.00 0.00 179.45 180.56 2iqf h ILE 80 N 0.32 0.93 -0.34 1.86 2.10 -1.95 -2.52 117.51 117.91 2iqf h ILE 80 Ca 0.18 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.10 2iqf h ILE 80 Cb 0.31 0.88 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 2iqf h ILE 80 CO -0.04 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.53 2iqf n PHE 81 N -4.49 0.44 0.35 2.19 3.72 -0.94 -4.78 117.46 113.94 2iqf n PHE 81 Ca 0.01 -0.26 0.15 0.00 -0.05 0.00 0.00 57.45 57.30 2iqf n PHE 81 Cb 0.24 -0.00 0.55 0.00 -0.94 0.00 0.00 39.48 39.32 2iqf n PHE 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2iqf h SER 82 N 3.79 0.00 -3.99 4.37 4.64 -1.36 -3.43 113.55 117.58 2iqf h SER 82 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 2iqf h SER 82 Cb 0.88 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.71 2iqf h SER 82 CO 0.00 0.00 -0.57 -0.54 -0.87 0.00 0.00 176.83 174.85 2iqf s LYS 83 N -3.45 0.19 0.21 4.77 1.02 -1.26 -5.01 119.74 116.21 2iqf s LYS 83 Ca 0.04 0.06 -0.31 0.00 0.02 0.00 0.00 55.97 55.78 2iqf s LYS 83 Cb 0.09 0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 37.39 2iqf s LYS 83 CO 0.51 -0.03 1.45 0.08 -0.92 0.00 0.00 175.35 176.43 2iqf s VAL 84 N -0.19 2.79 0.00 3.17 1.01 -1.26 -2.36 120.40 123.56 2iqf s VAL 84 Ca -0.03 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.58 2iqf s VAL 84 Cb -0.02 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2iqf s VAL 84 CO 0.00 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2iqf n GLY 85 N 2.75 1.00 3.70 4.51 0.00 0.07 -4.99 105.19 112.22 2iqf n GLY 85 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2iqf n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2iqf s LYS 86 N -0.71 4.30 -0.12 1.61 2.20 -0.99 -4.70 119.74 121.33 2iqf s LYS 86 Ca 0.00 2.03 -0.05 0.00 -0.36 0.00 0.00 55.97 57.59 2iqf s LYS 86 Cb 0.00 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2iqf s LYS 86 CO 0.00 -0.51 0.08 0.15 -0.36 0.00 0.00 175.35 174.71 2iqf s LYS 87 N 1.79 3.35 -0.05 4.03 1.02 -1.26 -1.90 119.74 126.72 2iqf s LYS 87 Ca 0.65 -0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.39 2iqf s LYS 87 Cb -0.34 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2iqf s LYS 87 CO 0.29 0.68 -0.06 0.99 -0.92 0.00 0.00 175.35 176.33 2iqf s THR 88 N -0.78 0.66 0.51 2.17 2.01 0.08 -4.97 115.64 115.31 2iqf s THR 88 Ca 0.13 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 61.72 2iqf s THR 88 Cb -0.12 -0.65 -0.08 0.00 0.01 0.00 0.00 72.50 71.66 2iqf s THR 88 CO 0.03 0.25 1.07 -1.61 -0.69 0.00 0.00 174.62 173.66 2iqf s GLU 89 N 0.78 3.65 0.20 4.92 0.41 -1.26 -0.61 118.70 126.79 2iqf s GLU 89 Ca -0.12 1.44 -0.05 0.00 -0.41 0.00 0.00 54.97 55.84 2iqf s GLU 89 Cb -0.14 -2.06 -0.03 0.00 -1.78 0.00 0.00 34.13 30.11 2iqf s GLU 89 CO 0.01 -0.57 0.22 0.00 -0.49 0.00 0.00 175.26 174.43 2iqf s PHE 91 N -4.10 0.21 -0.01 0.00 5.36 -0.15 -1.20 117.98 118.09 2iqf s PHE 91 Ca 0.32 0.06 0.07 0.00 -0.96 0.00 0.00 56.93 56.41 2iqf s PHE 91 Cb 0.05 -0.38 -0.02 0.00 -0.34 0.00 0.00 43.02 42.32 2iqf s PHE 91 CO 0.09 -0.13 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.45 2iqf s PHE 92 N 1.21 2.49 -0.09 10.12 0.40 -0.18 -0.20 117.98 131.73 2iqf s PHE 92 Ca -0.07 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 55.96 2iqf s PHE 92 Cb -0.13 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 41.89 2iqf s PHE 92 CO -0.02 0.10 -0.14 0.50 0.70 0.00 0.00 175.22 176.36 2iqf s ARG 93 N -0.86 2.03 0.08 0.44 3.52 0.04 -1.46 118.95 122.73 2iqf s ARG 93 Ca 0.11 -0.50 0.03 0.00 -0.13 0.00 0.00 55.73 55.24 2iqf s ARG 93 Cb -0.10 -1.71 -0.04 0.00 -1.56 0.00 0.00 34.95 31.53 2iqf s ARG 93 CO 0.01 -0.03 0.08 -0.06 -0.81 0.00 0.00 175.30 174.49 2iqf s PHE 94 N 0.88 3.20 0.22 5.12 0.40 0.14 -1.16 117.98 126.79 2iqf s PHE 94 Ca -0.09 0.09 -0.22 0.00 -0.60 0.00 0.00 56.93 56.10 2iqf s PHE 94 Cb -0.15 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.79 2iqf s PHE 94 CO 0.01 0.52 0.69 -1.54 0.70 0.00 0.00 175.22 175.60 2iqf s SER 95 N -2.39 -0.38 0.45 1.36 1.04 -1.12 0.12 113.70 112.78 2iqf s SER 95 Ca 0.30 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2iqf s SER 95 Cb -0.12 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2iqf s SER 95 CO 0.22 -1.16 0.00 0.35 0.98 0.00 0.00 173.24 173.63 2iqf n THR 96 N -0.42 0.00 0.02 2.02 -2.24 -0.78 -0.05 114.28 112.83 2iqf n THR 96 Ca -0.09 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.67 2iqf n THR 96 Cb 0.62 -1.61 -0.00 0.00 -2.10 0.00 0.00 70.33 67.23 2iqf n THR 96 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2iqf n VAL 97 N -1.18 0.70 0.00 2.28 0.31 -1.24 -3.82 118.33 115.37 2iqf n VAL 97 Ca 0.00 0.19 -0.13 0.00 -0.01 0.00 0.00 64.34 64.39 2iqf n VAL 97 Cb 0.00 -1.59 -0.14 0.00 -0.91 0.00 0.00 33.84 31.21 2iqf n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2iqf h ALA 98 N -0.07 0.60 -2.70 3.52 0.00 -1.91 -1.40 119.26 117.29 2iqf h ALA 98 Ca -0.02 -1.37 -0.51 0.00 0.00 0.00 0.00 54.91 53.01 2iqf h ALA 98 Cb 0.54 0.47 0.07 0.00 0.00 0.00 0.00 17.79 18.87 2iqf h ALA 98 CO -0.01 1.44 0.48 0.20 0.00 0.00 0.00 179.25 181.36 2iqf s GLY 99 N -5.18 2.76 0.97 0.00 0.00 -1.26 -4.87 107.32 99.74 2iqf s GLY 99 Ca -0.09 0.95 -0.15 0.00 0.00 0.00 0.00 44.72 45.43 2iqf s GLY 99 CO 0.82 1.39 1.32 -0.54 0.00 0.00 0.00 173.10 176.08 2iqf s GLU 100 N -2.81 0.47 0.44 2.90 8.01 -1.26 -3.93 118.70 122.53 2iqf s GLU 100 Ca 0.66 -0.64 0.36 0.00 0.01 0.00 0.00 54.97 55.36 2iqf s GLU 100 Cb -0.29 -1.89 1.43 0.00 -4.31 0.00 0.00 34.13 29.08 2iqf s GLU 100 CO 0.34 -2.48 1.40 0.54 0.01 0.00 0.00 175.26 175.07 2iqf n ARG 101 N -3.75 -0.02 -0.16 1.61 1.74 -1.26 -1.93 116.66 112.89 2iqf n ARG 101 Ca 0.17 1.07 0.05 0.00 -0.77 0.00 0.00 57.85 58.36 2iqf n ARG 101 Cb 0.59 -2.23 0.13 0.00 -1.02 0.00 0.00 32.46 29.93 2iqf n ARG 101 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2iqf n GLY 102 N -1.61 3.19 3.72 -0.13 0.00 -1.26 -4.84 105.19 104.26 2iqf n GLY 102 Ca 0.38 -0.44 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2iqf n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2iqf s SER 103 N -1.29 3.57 0.32 1.61 1.04 -0.81 -5.00 113.70 113.14 2iqf s SER 103 Ca 0.21 1.50 -0.27 0.00 0.48 0.00 0.00 55.95 57.86 2iqf s SER 103 Cb 0.13 -2.18 -0.09 0.00 0.10 0.00 0.00 66.02 63.98 2iqf s SER 103 CO 0.09 -2.58 1.04 0.00 0.98 0.00 0.00 173.24 172.77 2iqf s ALA 104 N -2.94 3.26 0.11 5.32 0.00 -1.26 -4.86 121.76 121.39 2iqf s ALA 104 Ca 0.63 0.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 2iqf s ALA 104 Cb -0.18 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2iqf s ALA 104 CO 0.57 -0.08 1.59 -0.44 0.00 0.00 0.00 175.76 177.40 2iqf h ASP 105 N 3.33 0.56 -0.72 0.00 3.32 -1.12 -3.38 116.42 118.40 2iqf h ASP 105 Ca -0.47 -0.26 -0.73 0.00 0.02 0.00 0.00 57.03 55.59 2iqf h ASP 105 Cb 1.21 -0.15 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 2iqf h ASP 105 CO 0.65 0.67 2.57 0.00 -1.72 0.00 0.00 179.24 181.42 2iqf n ALA 106 N -2.35 5.53 -2.38 3.45 0.00 -1.26 -4.90 120.51 118.60 2iqf n ALA 106 Ca -0.01 -4.10 -0.20 0.00 0.00 0.00 0.00 53.44 49.13 2iqf n ALA 106 Cb 0.22 -3.24 -0.10 0.00 0.00 0.00 0.00 19.45 16.33 2iqf n ALA 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2iqf s VAL 107 N 1.65 1.75 -0.30 0.00 -7.23 -1.26 -4.59 120.40 110.42 2iqf s VAL 107 Ca 0.44 -2.20 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 2iqf s VAL 107 Cb 0.12 -2.18 -0.00 0.00 0.56 0.00 0.00 36.38 34.88 2iqf s VAL 107 CO -0.04 -0.49 0.80 -0.60 -0.31 0.00 0.00 175.10 174.45 2iqf s ARG 108 N -3.66 4.00 -0.22 4.82 3.52 -1.26 -4.56 118.95 121.58 2iqf s ARG 108 Ca 0.25 0.64 -0.33 0.00 -0.13 0.00 0.00 55.73 56.16 2iqf s ARG 108 Cb 0.00 -3.72 0.16 0.00 -1.56 0.00 0.00 34.95 29.83 2iqf s ARG 108 CO 0.09 -0.66 1.24 0.34 -0.81 0.00 0.00 175.30 175.51 2iqf s ASP 109 N 1.58 -0.12 0.88 -2.12 3.68 -1.03 -5.03 116.67 114.51 2iqf s ASP 109 Ca 0.33 0.06 -0.11 0.00 2.13 0.00 0.00 52.55 54.97 2iqf s ASP 109 Cb -0.14 0.12 0.12 0.00 -1.45 0.00 0.00 42.92 41.56 2iqf s ASP 109 CO 0.12 -0.17 1.11 -2.84 0.13 0.00 0.00 175.17 173.52 2iqf s PRO 110 N -1.79 1.38 -0.09 4.34 0.02 -1.26 -4.72 135.00 132.87 2iqf s PRO 110 Ca 0.08 1.28 0.04 0.00 0.02 0.00 0.00 61.00 62.42 2iqf s PRO 110 Cb -0.01 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.71 2iqf s PRO 110 CO -0.05 -2.29 -0.21 1.03 -0.33 0.00 0.00 177.00 175.15 2iqf s ARG 111 N -4.76 2.93 0.49 5.54 1.81 -1.26 -3.71 118.95 119.99 2iqf s ARG 111 Ca 0.64 -0.82 -0.21 0.00 -1.72 0.00 0.00 55.73 53.62 2iqf s ARG 111 Cb -0.20 -2.34 -0.07 0.00 -0.45 0.00 0.00 34.95 31.88 2iqf s ARG 111 CO 0.58 0.29 1.13 0.20 -0.68 0.00 0.00 175.30 176.82 2iqf s GLY 112 N 0.09 2.70 -0.39 -3.53 0.00 0.93 -0.81 107.32 106.30 2iqf s GLY 112 Ca -0.09 0.85 0.09 0.00 0.00 0.00 0.00 44.72 45.56 2iqf s GLY 112 CO 0.06 1.25 0.58 0.33 0.00 0.00 0.00 173.10 175.32 2iqf n PHE 113 N -0.83 -0.46 -3.23 1.90 -0.00 0.08 -2.79 117.46 112.13 2iqf n PHE 113 Ca 0.09 -3.49 -0.39 0.00 -0.00 0.00 0.00 57.45 53.66 2iqf n PHE 113 Cb 0.50 -0.24 -0.06 0.00 -0.00 0.00 0.00 39.48 39.68 2iqf n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2iqf s ALA 114 N -1.27 3.45 -0.03 3.13 0.00 -0.31 -1.15 121.76 125.57 2iqf s ALA 114 Ca 0.36 -0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.28 2iqf s ALA 114 Cb 0.20 -2.74 0.01 0.00 0.00 0.00 0.00 23.12 20.59 2iqf s ALA 114 CO -0.11 0.03 -0.09 -1.64 0.00 0.00 0.00 175.76 173.94 2iqf s MET 115 N 0.44 1.07 -0.19 0.00 -1.94 -0.42 -0.78 119.30 117.48 2iqf s MET 115 Ca 0.30 -0.31 0.01 0.00 -1.71 0.00 0.00 55.69 53.98 2iqf s MET 115 Cb -0.16 -0.98 0.03 0.00 2.01 0.00 0.00 34.83 35.73 2iqf s MET 115 CO 0.14 0.09 -0.15 0.21 -0.01 0.00 0.00 175.02 175.29 2iqf s LYS 116 N 0.33 2.52 -0.21 2.03 2.20 0.72 -0.31 119.74 127.02 2iqf s LYS 116 Ca -0.06 -0.86 -0.06 0.00 -0.36 0.00 0.00 55.97 54.63 2iqf s LYS 116 Cb -0.10 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 2iqf s LYS 116 CO 0.01 -0.32 0.03 0.71 -0.36 0.00 0.00 175.35 175.42 2iqf s TYR 117 N 1.32 3.09 -1.29 4.03 1.51 0.26 -0.98 117.35 125.30 2iqf s TYR 117 Ca 0.01 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 2iqf s TYR 117 Cb -0.15 -2.13 0.13 0.00 -0.11 0.00 0.00 41.96 39.70 2iqf s TYR 117 CO -0.10 -0.20 1.75 0.66 -1.11 0.00 0.00 175.55 176.55 2iqf n TYR 118 N 4.33 4.05 -2.12 2.71 4.01 -0.57 -0.60 117.16 128.96 2iqf n TYR 118 Ca -0.17 -3.03 -0.28 0.00 -0.16 0.00 0.00 57.90 54.27 2iqf n TYR 118 Cb 0.52 -2.25 0.06 0.00 -0.31 0.00 0.00 39.34 37.36 2iqf n TYR 118 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2iqf s THR 119 N 1.90 2.84 -0.76 -0.72 -4.23 -0.83 -4.53 115.64 109.31 2iqf s THR 119 Ca 0.44 0.02 0.21 0.00 -1.18 0.00 0.00 61.69 61.19 2iqf s THR 119 Cb 0.05 -3.22 0.20 0.00 1.34 0.00 0.00 72.50 70.87 2iqf s THR 119 CO 0.00 -0.26 1.65 -0.62 -0.54 0.00 0.00 174.62 174.85 2iqf n GLU 120 N -2.94 0.11 -1.07 3.99 1.02 -1.26 -2.80 120.64 117.69 2iqf n GLU 120 Ca 0.07 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.47 2iqf n GLU 120 Cb 0.59 -1.68 0.15 0.00 -0.02 0.00 0.00 31.44 30.47 2iqf n GLU 120 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2iqf n GLU 121 N -1.89 2.05 0.00 3.49 1.02 -1.26 -4.81 120.64 119.24 2iqf n GLU 121 Ca 0.04 -3.47 0.00 0.00 -0.02 0.00 0.00 57.16 53.70 2iqf n GLU 121 Cb 0.24 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 2iqf n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2iqf n GLY 122 N -0.91 2.78 3.65 0.62 0.00 -1.12 -4.59 105.19 105.61 2iqf n GLY 122 Ca 0.25 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 2iqf n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iqf s ASN 123 N 0.00 6.92 -0.43 1.61 0.01 -1.26 -1.96 114.94 119.83 2iqf s ASN 123 Ca 0.00 1.32 -0.23 0.00 -0.71 0.00 0.00 52.86 53.24 2iqf s ASN 123 Cb 0.00 -2.54 0.02 0.00 0.41 0.00 0.00 41.25 39.14 2iqf s ASN 123 CO 0.00 -0.85 0.78 0.86 -1.51 0.00 0.00 177.10 176.38 2iqf s TRP 124 N 3.67 3.03 -0.26 2.20 -0.00 0.23 -4.54 118.94 123.27 2iqf s TRP 124 Ca 0.50 0.27 -0.16 0.00 -0.00 0.00 0.00 56.10 56.71 2iqf s TRP 124 Cb -0.16 -3.58 -0.03 0.00 -0.00 0.00 0.00 33.47 29.69 2iqf s TRP 124 CO 0.15 -0.91 0.43 -0.51 -0.00 0.00 0.00 176.95 176.11 2iqf s ASP 125 N 2.05 6.34 -0.37 5.86 -0.00 -0.40 -0.57 116.67 129.58 2iqf s ASP 125 Ca 0.30 0.40 -0.03 0.00 -0.00 0.00 0.00 52.55 53.22 2iqf s ASP 125 Cb -0.12 -2.24 0.09 0.00 -0.00 0.00 0.00 42.92 40.64 2iqf s ASP 125 CO 0.21 -0.22 0.14 -0.22 -0.00 0.00 0.00 175.17 175.09 2iqf s LEU 126 N 2.10 4.82 -1.14 1.23 2.96 0.58 -4.54 118.68 124.70 2iqf s LEU 126 Ca 0.18 -1.75 -0.12 0.00 -0.22 0.00 0.00 54.13 52.22 2iqf s LEU 126 Cb -0.16 -1.80 0.22 0.00 0.50 0.00 0.00 46.19 44.95 2iqf s LEU 126 CO 0.09 -0.45 1.26 -0.69 -1.32 0.00 0.00 176.35 175.24 2iqf s VAL 127 N 1.20 5.48 0.75 1.68 1.01 -1.26 -1.30 120.40 127.95 2iqf s VAL 127 Ca 0.04 -2.94 -0.04 0.00 0.00 0.00 0.00 61.98 59.04 2iqf s VAL 127 Cb -0.22 -4.76 0.13 0.00 0.00 0.00 0.00 36.38 31.54 2iqf s VAL 127 CO -0.03 -1.40 1.04 -0.83 0.00 0.00 0.00 175.10 173.88 2iqf s GLY 128 N 2.17 1.76 0.28 4.51 0.00 -0.30 -4.91 107.32 110.82 2iqf s GLY 128 Ca 0.36 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.56 2iqf s GLY 128 CO -0.04 -0.96 0.10 -1.31 0.00 0.00 0.00 173.10 170.89 2iqf s ASN 129 N -4.73 1.41 -0.14 1.64 0.01 -0.74 -0.74 114.94 111.65 2iqf s ASN 129 Ca 0.67 -1.42 0.03 0.00 -0.71 0.00 0.00 52.86 51.43 2iqf s ASN 129 Cb -0.06 0.18 0.28 0.00 0.41 0.00 0.00 41.25 42.06 2iqf s ASN 129 CO 0.46 -0.75 1.20 -0.46 -1.51 0.00 0.00 177.10 176.03 2iqf n ASN 130 N -0.58 3.09 -3.87 -1.22 6.94 0.01 -0.43 115.26 119.20 2iqf n ASN 130 Ca -0.00 -2.50 -0.11 0.00 -0.02 0.00 0.00 54.58 51.94 2iqf n ASN 130 Cb 0.66 -0.61 -0.11 0.00 -2.36 0.00 0.00 39.78 37.36 2iqf n ASN 130 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2iqf s THR 131 N -1.42 0.05 -1.09 5.53 -1.32 -1.26 -4.74 115.64 111.39 2iqf s THR 131 Ca 0.21 -0.44 0.28 0.00 -1.21 0.00 0.00 61.69 60.54 2iqf s THR 131 Cb 0.17 -0.31 0.29 0.00 -1.51 0.00 0.00 72.50 71.15 2iqf s THR 131 CO 0.05 -0.24 1.92 -0.81 -2.21 0.00 0.00 174.62 173.33 2iqf n PRO 132 N 2.12 0.09 -4.47 7.08 -0.04 -1.26 -4.56 135.00 133.96 2iqf n PRO 132 Ca -0.19 0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.06 2iqf n PRO 132 Cb 0.57 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 2iqf n PRO 132 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2iqf s VAL 133 N -2.91 0.87 0.24 0.52 -7.23 -1.26 -4.42 120.40 106.21 2iqf s VAL 133 Ca 0.16 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2iqf s VAL 133 Cb 0.19 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.51 2iqf s VAL 133 CO 0.50 0.00 0.17 0.12 -0.31 0.00 0.00 175.10 175.57 2iqf s PHE 134 N -3.31 1.34 -0.43 2.82 2.19 -0.55 -4.91 117.98 115.13 2iqf s PHE 134 Ca 0.31 -1.45 0.25 0.00 0.33 0.00 0.00 56.93 56.38 2iqf s PHE 134 Cb 0.06 -0.62 0.64 0.00 -1.31 0.00 0.00 43.02 41.79 2iqf s PHE 134 CO 0.15 -0.68 1.71 0.74 1.83 0.00 0.00 175.22 178.96 2iqf h PHE 135 N 2.47 0.00 -4.00 10.12 -1.00 -1.88 -3.38 116.94 119.27 2iqf h PHE 135 Ca -0.33 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.26 2iqf h PHE 135 Cb 1.25 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 40.65 2iqf h PHE 135 CO 0.72 0.00 -0.69 0.96 -1.61 0.00 0.00 178.31 177.69 2iqf s ILE 136 N -3.26 0.46 0.00 -0.55 -4.36 -1.26 -3.02 121.20 109.21 2iqf s ILE 136 Ca 0.07 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2iqf s ILE 136 Cb 0.08 -1.42 0.00 0.00 1.25 0.00 0.00 42.46 42.37 2iqf s ILE 136 CO 0.62 -0.85 0.38 -2.11 0.24 0.00 0.00 174.94 173.22 2iqf n ARG 137 N 0.27 -0.27 -4.48 0.37 1.85 -1.26 -4.51 116.66 108.63 2iqf n ARG 137 Ca -0.15 -0.43 -0.28 0.00 -1.00 0.00 0.00 57.85 56.00 2iqf n ARG 137 Cb 0.60 -0.81 -0.17 0.00 -1.05 0.00 0.00 32.46 31.03 2iqf n ARG 137 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2iqf s ASP 138 N -0.09 2.36 0.66 2.89 3.68 -1.26 -3.62 116.67 121.29 2iqf s ASP 138 Ca 0.00 -0.41 0.42 0.00 2.13 0.00 0.00 52.55 54.69 2iqf s ASP 138 Cb 0.00 -1.05 2.33 0.00 -1.45 0.00 0.00 42.92 42.75 2iqf s ASP 138 CO 0.00 0.02 2.35 0.00 0.13 0.00 0.00 175.17 177.67 2iqf h ALA 139 N 7.36 1.09 0.00 3.66 0.00 -1.85 -1.65 119.26 127.87 2iqf h ALA 139 Ca -0.31 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2iqf h ALA 139 Cb 1.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2iqf h ALA 139 CO 0.48 -0.01 -0.00 0.97 0.00 0.00 0.00 179.25 180.69 2iqf h ILE 140 N 0.00 0.01 -0.01 0.00 2.10 -1.96 -1.36 117.51 116.29 2iqf h ILE 140 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 2iqf h ILE 140 Cb 0.02 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 2iqf h ILE 140 CO -0.00 0.00 -0.21 0.29 -1.08 0.00 0.00 178.15 177.15 2iqf n LYS 141 N -3.09 0.69 -0.07 2.19 4.76 -0.62 -4.40 118.16 117.62 2iqf n LYS 141 Ca -0.03 -0.34 -0.09 0.00 -2.87 0.00 0.00 58.31 54.99 2iqf n LYS 141 Cb 0.08 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.76 2iqf n LYS 141 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 2iqf h PHE 142 N 0.82 0.27 -0.88 2.13 3.04 -1.42 -0.74 116.94 120.16 2iqf h PHE 142 Ca 0.00 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.03 2iqf h PHE 142 Cb 0.45 -0.08 -0.06 0.00 2.56 0.00 0.00 35.95 38.82 2iqf h PHE 142 CO 0.00 0.15 0.57 -1.35 -2.02 0.00 0.00 178.31 175.66 2iqf h PRO 143 N 0.30 0.92 0.21 6.41 0.11 -1.80 -1.24 132.00 136.92 2iqf h PRO 143 Ca 0.11 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 2iqf h PRO 143 Cb 0.02 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2iqf h PRO 143 CO -0.07 0.61 -0.10 -0.44 -0.21 0.00 0.00 178.00 177.79 2iqf h ASP 144 N 0.95 -0.24 -0.03 -2.05 3.32 -1.57 0.12 116.42 116.92 2iqf h ASP 144 Ca 0.39 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.36 2iqf h ASP 144 Cb 0.27 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2iqf h ASP 144 CO -0.15 -0.06 -0.02 0.15 -1.72 0.00 0.00 179.24 177.44 2iqf h PHE 145 N -0.41 -0.05 -0.44 4.55 3.04 -1.04 -2.27 116.94 120.33 2iqf h PHE 145 Ca -0.03 0.00 0.02 0.00 3.98 0.00 0.00 57.97 61.94 2iqf h PHE 145 Cb 0.31 0.03 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 2iqf h PHE 145 CO -0.03 -0.03 0.26 0.82 -2.02 0.00 0.00 178.31 177.31 2iqf h ILE 146 N -0.02 1.05 -0.80 1.41 1.08 -1.21 -1.33 117.51 117.68 2iqf h ILE 146 Ca 0.02 -0.18 0.17 0.00 -0.39 0.00 0.00 64.86 64.48 2iqf h ILE 146 Cb 0.05 0.48 -0.11 0.00 -3.07 0.00 0.00 36.82 34.17 2iqf h ILE 146 CO -0.05 0.10 0.29 0.45 -0.69 0.00 0.00 178.15 178.25 2iqf h HIS 147 N 0.53 0.48 0.00 1.37 3.86 -0.77 -1.68 115.15 118.94 2iqf h HIS 147 Ca 0.17 0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.32 2iqf h HIS 147 Cb 0.01 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 2iqf h HIS 147 CO -0.07 -0.02 -0.49 1.79 0.86 0.00 0.00 177.93 180.00 2iqf h THR 148 N 0.38 1.21 0.00 2.45 1.35 -0.68 -2.92 112.91 114.70 2iqf h THR 148 Ca 0.46 -1.77 0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2iqf h THR 148 Cb 0.79 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 2iqf h THR 148 CO -0.48 0.48 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 2iqf h GLN 149 N 0.00 0.00 0.00 4.72 1.08 -0.50 -3.33 115.11 117.07 2iqf h GLN 149 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2iqf h GLN 149 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 2iqf h GLN 149 CO 0.06 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.57 2iqf n LYS 150 N -2.83 2.23 -3.93 1.46 5.02 -0.82 -4.92 118.16 114.38 2iqf n LYS 150 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 2iqf n LYS 150 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.43 2iqf n LYS 150 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2iqf s ARG 151 N 4.74 3.39 0.26 1.97 0.52 -1.26 -4.33 118.95 124.24 2iqf s ARG 151 Ca 0.00 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.50 2iqf s ARG 151 Cb 0.00 -3.04 -0.12 0.00 0.52 0.00 0.00 34.95 32.31 2iqf s ARG 151 CO 0.00 0.64 1.53 -3.47 0.02 0.00 0.00 175.30 174.02 2iqf n ASP 152 N 0.66 3.40 0.26 0.23 -0.08 -0.02 -4.84 116.55 116.15 2iqf n ASP 152 Ca -0.08 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.44 2iqf n ASP 152 Cb 0.52 -1.52 0.68 0.00 2.34 0.00 0.00 41.12 43.14 2iqf n ASP 152 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2iqf h PRO 153 N 4.69 0.00 0.00 -0.67 0.13 -1.95 -0.63 132.00 133.57 2iqf h PRO 153 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.56 2iqf h PRO 153 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2iqf h PRO 153 CO 0.79 0.12 -0.78 0.37 -0.23 0.00 0.00 178.00 178.27 2iqf h GLN 154 N 0.00 0.00 0.00 0.86 4.15 -1.98 -3.42 115.11 114.72 2iqf h GLN 154 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2iqf h GLN 154 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 2iqf h GLN 154 CO 0.02 0.53 -0.41 0.25 -1.93 0.00 0.00 178.83 177.28 2iqf n THR 155 N -4.54 0.24 -1.93 2.39 -2.24 -1.22 -4.93 114.28 102.05 2iqf n THR 155 Ca -0.18 -0.16 -0.20 0.00 -2.27 0.00 0.00 64.05 61.23 2iqf n THR 155 Cb 0.45 -0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 2iqf n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2iqf n ASN 156 N -1.88 -5.56 -4.60 3.42 5.15 -0.24 -4.94 115.26 106.61 2iqf n ASN 156 Ca 0.05 0.29 -0.29 0.00 -0.60 0.00 0.00 54.58 54.02 2iqf n ASN 156 Cb 0.40 -4.79 -0.09 0.00 -0.53 0.00 0.00 39.78 34.76 2iqf n ASN 156 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2iqf s LEU 157 N -5.26 3.14 0.76 1.20 1.43 -1.26 -4.71 118.68 113.98 2iqf s LEU 157 Ca 0.00 -0.36 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2iqf s LEU 157 Cb 0.00 -1.91 0.05 0.00 0.03 0.00 0.00 46.19 44.37 2iqf s LEU 157 CO 0.00 0.17 1.21 -2.16 0.23 0.00 0.00 176.35 175.80 2iqf s PRO 158 N -2.31 1.95 -0.22 1.29 0.04 -1.26 -0.84 135.00 133.65 2iqf s PRO 158 Ca 0.23 1.78 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 2iqf s PRO 158 Cb -0.11 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.73 2iqf s PRO 158 CO 0.15 -1.98 0.27 1.21 0.04 0.00 0.00 177.00 176.69 2iqf s ASN 159 N -2.05 1.04 0.31 6.66 3.84 -1.26 -4.83 114.94 118.66 2iqf s ASN 159 Ca 0.74 -0.10 0.09 0.00 0.21 0.00 0.00 52.86 53.80 2iqf s ASN 159 Cb -0.29 0.60 0.52 0.00 -0.55 0.00 0.00 41.25 41.53 2iqf s ASN 159 CO 0.47 -0.32 1.73 0.45 -2.79 0.00 0.00 177.10 176.64 2iqf h HIS 160 N 8.27 0.18 0.00 0.43 3.86 -1.93 -2.85 115.15 123.11 2iqf h HIS 160 Ca -0.18 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 2iqf h HIS 160 Cb 1.15 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2iqf h HIS 160 CO 0.14 0.55 0.00 -0.25 0.86 0.00 0.00 177.93 179.22 2iqf n ASP 161 N -4.03 0.00 0.00 2.45 10.43 -1.26 -1.62 116.55 122.52 2iqf n ASP 161 Ca -0.02 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.34 2iqf n ASP 161 Cb 0.47 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.43 2iqf n ASP 161 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2iqf n VAL 163 N 0.37 0.00 0.08 2.53 0.31 -1.08 -0.35 118.33 120.19 2iqf n VAL 163 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2iqf n VAL 163 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2iqf n VAL 163 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 2iqf h TRP 164 N 0.00 0.00 -0.19 3.52 4.06 -1.61 -2.08 115.95 119.65 2iqf h TRP 164 Ca 0.00 0.00 0.04 0.00 2.06 0.00 0.00 58.89 60.99 2iqf h TRP 164 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 2iqf h TRP 164 CO 0.00 0.57 -0.03 0.22 -3.56 0.00 0.00 178.44 175.63 2iqf h ASP 165 N 0.00 -0.15 0.28 -3.49 3.58 -0.91 0.11 116.42 115.83 2iqf h ASP 165 Ca -0.08 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.41 2iqf h ASP 165 Cb 1.50 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.66 2iqf h ASP 165 CO 0.06 -0.05 -0.13 0.15 -2.88 0.00 0.00 179.24 176.39 2iqf h PHE 166 N 0.02 -0.34 -0.92 0.28 3.04 -1.78 -2.89 116.94 114.34 2iqf h PHE 166 Ca 0.09 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.09 2iqf h PHE 166 Cb 0.13 0.11 -0.06 0.00 2.56 0.00 0.00 35.95 38.69 2iqf h PHE 166 CO -0.20 -0.05 0.59 -1.49 -2.02 0.00 0.00 178.31 175.14 2iqf h TRP 167 N -0.62 1.10 0.00 0.41 6.55 -1.35 -1.52 115.95 120.51 2iqf h TRP 167 Ca -0.04 0.03 -0.04 0.00 0.95 0.00 0.00 58.89 59.79 2iqf h TRP 167 Cb 0.45 -0.36 -0.01 0.00 -0.86 0.00 0.00 29.16 28.38 2iqf h TRP 167 CO 0.01 0.59 -0.19 0.66 -1.05 0.00 0.00 178.44 178.45 2iqf h SER 168 N 1.10 0.00 0.04 -3.49 4.64 -0.79 -2.53 113.55 112.52 2iqf h SER 168 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2iqf h SER 168 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2iqf h SER 168 CO -0.15 0.19 -0.25 0.59 -0.87 0.00 0.00 176.83 176.34 2iqf n ASN 169 N -3.90 1.93 -3.38 4.97 3.02 -0.78 -4.52 115.26 112.59 2iqf n ASN 169 Ca -0.02 -1.47 -0.26 0.00 -0.03 0.00 0.00 54.58 52.80 2iqf n ASN 169 Cb 0.28 0.22 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 2iqf n ASN 169 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2iqf n VAL 170 N 0.16 0.46 0.30 2.41 0.31 -0.64 -4.98 118.33 116.35 2iqf n VAL 170 Ca 0.12 -4.40 0.19 0.00 -0.01 0.00 0.00 64.34 60.25 2iqf n VAL 170 Cb 0.45 -1.98 0.92 0.00 -0.91 0.00 0.00 33.84 32.32 2iqf n VAL 170 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2iqf h PRO 171 N 4.50 0.00 0.00 5.55 0.13 -1.79 -0.58 132.00 139.80 2iqf h PRO 171 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2iqf h PRO 171 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 2iqf h PRO 171 CO 0.59 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.43 2iqf h GLU 172 N 0.00 0.00 0.00 0.86 9.09 -1.87 -2.39 114.58 120.27 2iqf h GLU 172 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2iqf h GLU 172 Cb 0.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 2iqf h GLU 172 CO 0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 2iqf n SER 173 N -2.80 0.23 -0.24 3.06 3.41 -0.23 -4.10 113.62 112.94 2iqf n SER 173 Ca -0.02 0.57 0.01 0.00 -0.26 0.00 0.00 58.87 59.18 2iqf n SER 173 Cb 0.10 -0.62 0.13 0.00 -0.26 0.00 0.00 64.21 63.57 2iqf n SER 173 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 2iqf h LEU 174 N 0.00 0.48 -0.06 1.04 5.85 -1.65 -0.64 115.31 120.33 2iqf h LEU 174 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2iqf h LEU 174 Cb 0.17 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2iqf h LEU 174 CO 0.00 0.28 0.03 0.22 -0.34 0.00 0.00 178.44 178.64 2iqf h TYR 175 N 0.62 0.06 -0.02 1.25 5.03 -1.83 0.41 116.97 122.50 2iqf h TYR 175 Ca 0.34 0.00 -0.16 0.00 2.58 0.00 0.00 58.73 61.50 2iqf h TYR 175 Cb 0.34 -0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.58 2iqf h TYR 175 CO -0.10 0.04 -0.72 0.37 -1.32 0.00 0.00 178.16 176.43 2iqf h GLN 176 N 0.07 0.10 -0.43 1.82 5.75 -1.68 -0.97 115.11 119.77 2iqf h GLN 176 Ca 0.02 -0.09 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2iqf h GLN 176 Cb -0.00 0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 2iqf h GLN 176 CO -0.01 0.78 0.17 0.28 -2.65 0.00 0.00 178.83 177.40 2iqf h VAL 177 N 0.07 0.89 -0.56 2.39 2.07 -0.89 1.00 116.25 121.21 2iqf h VAL 177 Ca -0.02 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 2iqf h VAL 177 Cb 1.27 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.53 2iqf h VAL 177 CO 0.10 0.06 0.16 0.74 0.02 0.00 0.00 177.57 178.66 2iqf h THR 178 N 0.35 1.24 0.19 2.57 2.02 -0.38 -3.05 112.91 115.86 2iqf h THR 178 Ca 0.20 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2iqf h THR 178 Cb 0.17 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 2iqf h THR 178 CO -0.18 0.31 -0.09 -0.25 0.37 0.00 0.00 175.52 175.68 2iqf h TRP 179 N 0.79 -0.24 0.00 3.16 2.91 -0.92 -1.67 115.95 119.99 2iqf h TRP 179 Ca 0.18 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.19 2iqf h TRP 179 Cb 0.31 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.03 2iqf h TRP 179 CO 0.02 0.04 0.00 1.55 -1.03 0.00 0.00 178.44 179.02 2iqf n VAL 180 N -5.09 0.38 0.00 2.65 3.14 0.32 -3.73 118.33 115.99 2iqf n VAL 180 Ca -0.09 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2iqf n VAL 180 Cb 0.21 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.17 2iqf n VAL 180 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 2iqf n SER 182 N 1.21 0.00 0.27 6.55 3.41 -0.63 -3.59 113.62 120.84 2iqf n SER 182 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.71 2iqf n SER 182 Cb 0.14 -0.00 0.71 0.00 -0.26 0.00 0.00 64.21 64.80 2iqf n SER 182 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2iqf h ASP 183 N 0.00 0.00 -0.19 4.04 3.32 -1.88 -2.05 116.42 119.66 2iqf h ASP 183 Ca 0.00 0.00 0.06 0.00 0.02 0.00 0.00 57.03 57.11 2iqf h ASP 183 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2iqf h ASP 183 CO 0.00 0.01 0.22 0.03 -1.72 0.00 0.00 179.24 177.77 2iqf h ARG 184 N 0.00 0.00 -0.35 3.56 2.47 -1.89 -3.00 114.38 115.17 2iqf h ARG 184 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2iqf h ARG 184 Cb 0.01 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2iqf h ARG 184 CO 0.00 0.00 0.22 0.78 0.56 0.00 0.00 179.97 181.53 2iqf h GLY 185 N 0.00 0.49 -7.33 0.04 0.00 -1.42 -3.36 103.07 91.49 2iqf h GLY 185 Ca 0.09 -0.19 -0.61 0.00 0.00 0.00 0.00 47.33 46.63 2iqf h GLY 185 CO -0.00 0.18 -0.74 -0.42 0.00 0.00 0.00 176.54 175.56 2iqf s ILE 186 N -5.41 1.39 0.68 2.60 1.01 -1.13 -2.45 121.20 117.88 2iqf s ILE 186 Ca -0.08 -1.79 -0.15 0.00 0.00 0.00 0.00 60.65 58.63 2iqf s ILE 186 Cb 0.17 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2iqf s ILE 186 CO 0.72 -0.66 1.13 -2.16 0.00 0.00 0.00 174.94 173.97 2iqf s PRO 187 N 1.30 2.61 0.30 2.79 0.04 -1.26 -0.83 135.00 139.95 2iqf s PRO 187 Ca 0.11 1.48 0.02 0.00 0.04 0.00 0.00 61.00 62.65 2iqf s PRO 187 Cb -0.18 -1.92 0.49 0.00 0.04 0.00 0.00 34.50 32.93 2iqf s PRO 187 CO -0.18 -1.42 1.82 -0.22 0.04 0.00 0.00 177.00 177.05 2iqf h LYS 188 N -0.08 0.62 -2.61 4.56 3.64 -1.18 -3.38 116.57 118.13 2iqf h LYS 188 Ca -0.47 -0.15 0.12 0.00 -1.27 0.00 0.00 60.65 58.88 2iqf h LYS 188 Cb 1.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2iqf h LYS 188 CO 0.53 0.65 0.44 -1.54 -2.27 0.00 0.00 179.45 177.26 2iqf s SER 189 N -6.71 -0.10 0.58 4.20 1.04 -1.26 -4.96 113.70 106.49 2iqf s SER 189 Ca -0.08 -0.65 0.29 0.00 0.48 0.00 0.00 55.95 55.99 2iqf s SER 189 Cb 0.15 0.59 1.76 0.00 0.10 0.00 0.00 66.02 68.62 2iqf s SER 189 CO 0.78 -1.14 2.23 -0.26 0.98 0.00 0.00 173.24 175.84 2iqf h PHE 190 N 2.00 0.00 0.00 5.02 0.05 -1.90 -2.64 116.94 119.47 2iqf h PHE 190 Ca -0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.53 2iqf h PHE 190 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.18 2iqf h PHE 190 CO 0.85 0.01 0.00 0.54 -0.18 0.00 0.00 178.31 179.54 2iqf n ARG 191 N -3.87 0.22 -1.06 1.51 1.74 -1.26 -3.66 116.66 110.28 2iqf n ARG 191 Ca -0.03 0.35 -0.07 0.00 -0.77 0.00 0.00 57.85 57.33 2iqf n ARG 191 Cb 0.10 -1.86 0.15 0.00 -1.02 0.00 0.00 32.46 29.83 2iqf n ARG 191 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2iqf n HIS 192 N -2.26 1.24 -4.18 -1.55 8.25 -1.00 -4.38 115.22 111.34 2iqf n HIS 192 Ca 0.03 -1.80 -0.13 0.00 -0.26 0.00 0.00 57.72 55.56 2iqf n HIS 192 Cb 0.31 -0.43 -0.10 0.00 1.12 0.00 0.00 29.99 30.88 2iqf n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2iqf s MET 193 N -3.37 0.86 0.63 -0.41 0.23 -1.24 -2.18 119.30 113.82 2iqf s MET 193 Ca 0.45 -1.23 -0.02 0.00 -1.03 0.00 0.00 55.69 53.86 2iqf s MET 193 Cb 0.40 -0.43 0.05 0.00 -1.53 0.00 0.00 34.83 33.32 2iqf s MET 193 CO -0.02 0.05 0.89 -0.51 -2.03 0.00 0.00 175.02 173.40 2iqf s ASP 194 N -2.69 4.99 0.07 -1.18 1.01 -1.26 -4.27 116.67 113.33 2iqf s ASP 194 Ca 0.08 0.12 0.04 0.00 0.71 0.00 0.00 52.55 53.50 2iqf s ASP 194 Cb 0.00 -0.86 -0.03 0.00 1.01 0.00 0.00 42.92 43.04 2iqf s ASP 194 CO -0.01 -1.40 -0.12 -0.83 0.21 0.00 0.00 175.17 173.02 2iqf s GLY 195 N -4.50 0.77 -0.04 0.21 0.00 0.01 -4.20 107.32 99.57 2iqf s GLY 195 Ca 0.59 -0.97 -0.09 0.00 0.00 0.00 0.00 44.72 44.26 2iqf s GLY 195 CO 0.41 -1.01 0.20 -1.36 0.00 0.00 0.00 173.10 171.34 2iqf s PHE 196 N -1.51 -0.11 -0.08 1.90 0.40 0.42 -0.03 117.98 118.97 2iqf s PHE 196 Ca -0.03 0.24 0.30 0.00 -0.60 0.00 0.00 56.93 56.84 2iqf s PHE 196 Cb -0.09 0.03 1.12 0.00 0.51 0.00 0.00 43.02 44.59 2iqf s PHE 196 CO 0.01 -0.23 1.88 0.78 0.70 0.00 0.00 175.22 178.37 2iqf h GLY 197 N 4.87 0.00 0.00 4.36 0.00 -1.71 -1.96 103.07 108.63 2iqf h GLY 197 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2iqf h GLY 197 CO 0.39 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.37 2iqf n SER 198 N -2.98 0.00 -4.75 0.19 7.64 -1.26 -4.79 113.62 107.67 2iqf n SER 198 Ca 0.02 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.53 2iqf n SER 198 Cb 0.34 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.58 2iqf n SER 198 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2iqf s HIS 199 N 0.00 2.35 0.14 1.43 3.76 -1.26 -4.83 115.29 116.88 2iqf s HIS 199 Ca 0.00 1.50 -0.31 0.00 -0.15 0.00 0.00 55.06 56.10 2iqf s HIS 199 Cb 0.00 -3.54 -0.10 0.00 1.11 0.00 0.00 32.58 30.04 2iqf s HIS 199 CO 0.00 -2.36 1.73 0.99 -0.85 0.00 0.00 174.74 174.25 2iqf s THR 200 N -1.53 2.52 0.04 1.30 2.01 -1.26 -4.67 115.64 114.06 2iqf s THR 200 Ca 0.77 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.95 2iqf s THR 200 Cb -0.32 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.07 2iqf s THR 200 CO 0.35 0.01 0.02 0.49 -0.69 0.00 0.00 174.62 174.80 2iqf n PHE 201 N 5.02 -1.06 -4.27 4.92 3.72 -0.19 -4.22 117.46 121.38 2iqf n PHE 201 Ca 0.16 -0.19 -0.22 0.00 -0.05 0.00 0.00 57.45 57.16 2iqf n PHE 201 Cb 0.38 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.76 2iqf n PHE 201 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 2iqf s SER 202 N -1.25 2.14 -0.02 4.37 1.04 -0.70 -1.34 113.70 117.93 2iqf s SER 202 Ca 0.02 -0.63 0.06 0.00 0.48 0.00 0.00 55.95 55.88 2iqf s SER 202 Cb -0.00 -0.11 -0.02 0.00 0.10 0.00 0.00 66.02 65.99 2iqf s SER 202 CO 0.01 0.01 -0.20 -0.76 0.98 0.00 0.00 173.24 173.28 2iqf s LEU 203 N -1.73 2.42 -0.11 2.42 1.43 0.67 -0.56 118.68 123.22 2iqf s LEU 203 Ca 0.03 -0.35 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 2iqf s LEU 203 Cb -0.10 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.68 2iqf s LEU 203 CO 0.03 0.32 -0.19 -0.63 0.23 0.00 0.00 176.35 176.11 2iqf s ILE 204 N -0.71 1.77 0.62 -0.59 -1.09 -0.63 -0.89 121.20 119.68 2iqf s ILE 204 Ca 0.11 -0.82 0.07 0.00 -2.23 0.00 0.00 60.65 57.78 2iqf s ILE 204 Cb -0.10 -1.56 0.10 0.00 -1.58 0.00 0.00 42.46 39.32 2iqf s ILE 204 CO 0.00 0.49 0.86 0.54 -1.23 0.00 0.00 174.94 175.61 2iqf s ASN 205 N 0.68 4.86 0.57 3.58 2.20 -0.88 -1.56 114.94 124.39 2iqf s ASN 205 Ca -0.12 -0.75 0.30 0.00 -0.94 0.00 0.00 52.86 51.34 2iqf s ASN 205 Cb -0.16 0.28 1.70 0.00 -2.00 0.00 0.00 41.25 41.06 2iqf s ASN 205 CO 0.03 -1.52 2.18 0.00 -2.94 0.00 0.00 177.10 174.86 2iqf h ALA 206 N -0.03 1.39 0.00 3.54 0.00 -1.89 -0.97 119.26 121.30 2iqf h ALA 206 Ca -0.31 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2iqf h ALA 206 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2iqf h ALA 206 CO 0.40 0.06 0.00 1.63 0.00 0.00 0.00 179.25 181.34 2iqf n LYS 207 N -3.72 0.00 -0.64 0.00 4.76 -1.26 -4.92 118.16 112.39 2iqf n LYS 207 Ca -0.02 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 2iqf n LYS 207 Cb 0.15 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 2iqf n LYS 207 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2iqf n GLY 208 N 1.47 0.63 3.79 0.72 0.00 -0.37 -5.06 105.19 106.37 2iqf n GLY 208 Ca 0.07 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 2iqf n GLY 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2iqf s GLU 209 N -0.95 4.46 -0.13 1.61 2.02 -1.26 -4.82 118.70 119.63 2iqf s GLU 209 Ca 0.00 1.08 -0.04 0.00 0.02 0.00 0.00 54.97 56.03 2iqf s GLU 209 Cb 0.00 -3.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 2iqf s GLU 209 CO 0.00 0.47 0.01 0.50 0.02 0.00 0.00 175.26 176.26 2iqf s ARG 210 N -1.56 3.41 -0.02 1.61 3.52 -1.26 -2.07 118.95 122.58 2iqf s ARG 210 Ca 0.40 -0.42 0.06 0.00 -0.13 0.00 0.00 55.73 55.64 2iqf s ARG 210 Cb -0.20 -2.93 -0.01 0.00 -1.56 0.00 0.00 34.95 30.25 2iqf s ARG 210 CO 0.24 0.48 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.96 2iqf s PHE 211 N -0.25 1.73 0.26 5.12 0.40 -0.07 -3.75 117.98 121.42 2iqf s PHE 211 Ca 0.06 -0.35 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 2iqf s PHE 211 Cb -0.12 -1.12 -0.09 0.00 0.51 0.00 0.00 43.02 42.19 2iqf s PHE 211 CO 0.02 -0.05 0.96 -1.58 0.70 0.00 0.00 175.22 175.27 2iqf s TRP 212 N -0.40 3.89 0.02 0.36 0.23 0.17 -0.24 118.94 122.97 2iqf s TRP 212 Ca 0.06 1.87 0.01 0.00 -2.03 0.00 0.00 56.10 56.02 2iqf s TRP 212 Cb -0.08 -3.00 -0.02 0.00 0.03 0.00 0.00 33.47 30.41 2iqf s TRP 212 CO -0.00 0.31 -0.05 0.54 0.96 0.00 0.00 176.95 178.70 2iqf s VAL 213 N -1.27 0.37 -0.06 4.03 0.11 -0.45 -0.34 120.40 122.80 2iqf s VAL 213 Ca 0.43 -0.72 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 2iqf s VAL 213 Cb -0.25 -0.42 -0.01 0.00 -1.53 0.00 0.00 36.38 34.17 2iqf s VAL 213 CO 0.31 -0.24 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.05 2iqf s LYS 214 N -1.03 2.53 -0.18 1.54 -0.14 -0.67 -1.02 119.74 120.76 2iqf s LYS 214 Ca -0.07 -0.90 -0.10 0.00 -1.36 0.00 0.00 55.97 53.53 2iqf s LYS 214 Cb -0.07 -2.15 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 2iqf s LYS 214 CO -0.00 0.38 0.15 -0.06 -0.76 0.00 0.00 175.35 175.07 2iqf s PHE 215 N -0.17 3.44 -0.06 3.18 0.08 -1.26 -1.26 117.98 121.93 2iqf s PHE 215 Ca -0.03 0.39 0.03 0.00 0.12 0.00 0.00 56.93 57.44 2iqf s PHE 215 Cb -0.14 -2.16 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 2iqf s PHE 215 CO 0.04 0.34 -0.15 -1.01 -0.10 0.00 0.00 175.22 174.34 2iqf s HIS 216 N 0.21 1.62 -0.22 0.36 3.76 0.37 -2.06 115.29 119.32 2iqf s HIS 216 Ca 0.10 -0.58 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 2iqf s HIS 216 Cb -0.11 -1.15 0.05 0.00 1.11 0.00 0.00 32.58 32.47 2iqf s HIS 216 CO -0.00 -0.26 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.43 2iqf s PHE 217 N 0.47 2.94 -0.23 1.40 0.40 0.95 -1.04 117.98 122.86 2iqf s PHE 217 Ca -0.12 -1.98 -0.09 0.00 -0.60 0.00 0.00 56.93 54.14 2iqf s PHE 217 Cb -0.15 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.48 2iqf s PHE 217 CO 0.04 -0.83 0.11 -1.01 0.70 0.00 0.00 175.22 174.23 2iqf s HIS 218 N 1.22 3.21 0.16 0.36 3.76 -0.02 -0.81 115.29 123.16 2iqf s HIS 218 Ca -0.03 -0.03 -0.32 0.00 -0.15 0.00 0.00 55.06 54.53 2iqf s HIS 218 Cb -0.17 -2.22 -0.10 0.00 1.11 0.00 0.00 32.58 31.19 2iqf s HIS 218 CO -0.08 -0.08 1.64 -0.08 -0.85 0.00 0.00 174.74 175.29 2iqf s THR 219 N 1.15 2.51 -2.19 1.30 -1.32 -1.26 -1.06 115.64 114.76 2iqf s THR 219 Ca 0.06 0.31 0.30 0.00 -1.21 0.00 0.00 61.69 61.15 2iqf s THR 219 Cb -0.14 -3.20 0.77 0.00 -1.51 0.00 0.00 72.50 68.42 2iqf s THR 219 CO 0.04 0.02 2.04 0.23 -2.21 0.00 0.00 174.62 174.74 2iqf n MET 220 N 4.31 1.25 0.00 7.08 2.81 0.17 -3.24 117.12 129.50 2iqf n MET 220 Ca 0.15 -0.38 0.12 0.00 -1.81 0.00 0.00 57.70 55.78 2iqf n MET 220 Cb 0.38 -1.49 0.13 0.00 -0.71 0.00 0.00 33.22 31.52 2iqf n MET 220 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2iqf n GLN 221 N -0.54 0.74 0.00 0.03 3.00 -1.26 -4.97 117.38 114.37 2iqf n GLN 221 Ca 0.22 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.66 2iqf n GLN 221 Cb 0.21 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.96 2iqf n GLN 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2iqf n GLY 222 N 1.42 0.46 3.69 1.08 0.00 -1.20 -4.92 105.19 105.72 2iqf n GLY 222 Ca 0.09 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.25 2iqf n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2iqf s VAL 223 N -1.26 4.16 0.00 1.61 1.01 -1.26 -4.33 120.40 120.33 2iqf s VAL 223 Ca 0.00 1.50 -0.09 0.00 0.00 0.00 0.00 61.98 63.39 2iqf s VAL 223 Cb 0.00 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.42 2iqf s VAL 223 CO 0.00 0.00 0.17 -0.54 0.00 0.00 0.00 175.10 174.73 2iqf s LYS 224 N 2.19 0.54 0.17 2.72 1.02 -0.93 -5.03 119.74 120.42 2iqf s LYS 224 Ca 0.57 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 56.18 2iqf s LYS 224 Cb -0.26 0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 2iqf s LYS 224 CO 0.23 -0.14 -0.00 -3.38 -0.92 0.00 0.00 175.35 171.14 2iqf s HIS 225 N -1.52 1.20 -0.02 3.18 -3.43 -1.26 -0.78 115.29 112.66 2iqf s HIS 225 Ca -0.13 -1.01 0.03 0.00 -0.80 0.00 0.00 55.06 53.15 2iqf s HIS 225 Cb -0.06 -0.68 -0.03 0.00 -1.43 0.00 0.00 32.58 30.37 2iqf s HIS 225 CO 0.01 -0.20 -0.09 -0.51 -2.00 0.00 0.00 174.74 171.96 2iqf s LEU 226 N -3.17 3.07 0.70 5.38 1.43 -0.01 -4.50 118.68 121.57 2iqf s LEU 226 Ca 0.23 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2iqf s LEU 226 Cb 0.06 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.57 2iqf s LEU 226 CO 0.03 0.31 1.06 0.42 0.23 0.00 0.00 176.35 178.41 2iqf s THR 227 N -0.90 3.99 0.27 5.49 -4.23 -1.26 -4.57 115.64 114.42 2iqf s THR 227 Ca 0.15 0.64 -0.03 0.00 -1.18 0.00 0.00 61.69 61.27 2iqf s THR 227 Cb -0.11 -3.40 0.34 0.00 1.34 0.00 0.00 72.50 70.67 2iqf s THR 227 CO 0.05 -0.84 1.61 0.78 -0.54 0.00 0.00 174.62 175.68 2iqf h ASN 228 N -0.73 -0.37 -0.35 3.99 2.35 -1.99 -0.25 115.58 118.24 2iqf h ASN 228 Ca -0.44 0.23 -0.12 0.00 -0.55 0.00 0.00 56.30 55.42 2iqf h ASN 228 Cb 1.21 0.39 -0.01 0.00 0.05 0.00 0.00 38.32 39.97 2iqf h ASN 228 CO 0.57 -0.24 -0.24 -0.33 -1.65 0.00 0.00 177.43 175.54 2iqf h GLU 229 N 0.08 0.77 -0.51 0.81 3.07 -1.99 -1.52 114.58 115.28 2iqf h GLU 229 Ca 0.50 -0.37 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 2iqf h GLU 229 Cb 0.95 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.83 2iqf h GLU 229 CO -0.77 0.99 0.10 0.93 -1.40 0.00 0.00 179.01 178.86 2iqf h GLU 230 N 0.55 0.84 -0.04 2.33 5.08 -1.71 -2.43 114.58 119.20 2iqf h GLU 230 Ca 0.07 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2iqf h GLU 230 Cb 0.80 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 2iqf h GLU 230 CO 0.06 0.82 0.02 0.00 -1.00 0.00 0.00 179.01 178.92 2iqf h ALA 231 N 0.98 0.05 -0.94 3.43 0.00 -0.98 -1.75 119.26 120.04 2iqf h ALA 231 Ca 0.16 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2iqf h ALA 231 Cb 0.38 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 2iqf h ALA 231 CO 0.01 -0.45 0.55 0.00 0.00 0.00 0.00 179.25 179.35 2iqf h ALA 232 N 1.00 1.48 -0.49 0.00 0.00 -1.20 -0.09 119.26 119.96 2iqf h ALA 232 Ca 0.01 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2iqf h ALA 232 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2iqf h ALA 232 CO -0.00 -0.01 -0.09 0.93 0.00 0.00 0.00 179.25 180.08 2iqf h GLU 233 N 0.76 0.93 -0.08 0.00 4.39 -1.18 -2.65 114.58 116.73 2iqf h GLU 233 Ca 0.52 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2iqf h GLU 233 Cb 0.72 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 2iqf h GLU 233 CO -0.35 1.00 0.03 0.82 -1.16 0.00 0.00 179.01 179.35 2iqf h ILE 234 N 0.78 1.15 -0.86 3.13 2.04 -0.78 -3.24 117.51 119.73 2iqf h ILE 234 Ca 0.13 -0.44 0.13 0.00 1.00 0.00 0.00 64.86 65.68 2iqf h ILE 234 Cb 0.64 1.29 -0.09 0.00 -0.74 0.00 0.00 36.82 37.92 2iqf h ILE 234 CO 0.04 0.13 0.46 0.03 0.00 0.00 0.00 178.15 178.82 2iqf h ARG 235 N -0.03 0.67 0.00 2.37 3.08 -0.98 -0.43 114.38 119.05 2iqf h ARG 235 Ca 0.03 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2iqf h ARG 235 Cb 0.18 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2iqf h ARG 235 CO -0.00 0.44 -0.04 1.57 -1.07 0.00 0.00 179.97 180.88 2iqf h LYS 236 N 0.69 0.00 0.00 0.04 2.10 -1.49 -2.81 116.57 115.10 2iqf h LYS 236 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 2iqf h LYS 236 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 2iqf h LYS 236 CO -0.33 0.04 -0.73 0.72 -2.00 0.00 0.00 179.45 177.14 2iqf n HIS 237 N -3.20 0.00 -3.23 0.07 8.25 -0.90 -4.97 115.22 111.24 2iqf n HIS 237 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.43 2iqf n HIS 237 Cb 0.24 -0.07 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 2iqf n HIS 237 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2iqf s ASP 238 N -2.18 -0.92 0.00 0.41 2.15 -0.22 -4.99 116.67 110.91 2iqf s ASP 238 Ca 0.01 -0.62 0.22 0.00 0.43 0.00 0.00 52.55 52.59 2iqf s ASP 238 Cb 0.06 1.67 1.28 0.00 -0.30 0.00 0.00 42.92 45.63 2iqf s ASP 238 CO 0.33 -0.24 1.70 -0.81 -0.17 0.00 0.00 175.17 175.99 2iqf n PRO 239 N 4.75 0.62 -0.83 4.34 -0.04 -1.24 -3.48 135.00 139.12 2iqf n PRO 239 Ca 0.08 0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.55 2iqf n PRO 239 Cb 0.54 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.68 2iqf n PRO 239 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2iqf n ASP 240 N -1.06 2.37 -0.01 3.54 8.00 -1.26 -0.54 116.55 127.60 2iqf n ASP 240 Ca 0.15 -3.86 0.03 0.00 0.71 0.00 0.00 54.79 51.83 2iqf n ASP 240 Cb 0.09 -0.56 0.39 0.00 -0.02 0.00 0.00 41.12 41.03 2iqf n ASP 240 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2iqf h SER 241 N 1.13 0.50 0.77 -2.24 4.64 -1.95 -1.62 113.55 114.78 2iqf h SER 241 Ca 0.13 -0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 2iqf h SER 241 Cb 1.28 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 2iqf h SER 241 CO 0.24 0.40 -1.26 0.78 -0.87 0.00 0.00 176.83 176.12 2iqf h ASN 242 N 0.57 0.11 -0.12 4.97 2.35 -1.91 -1.70 115.58 119.85 2iqf h ASN 242 Ca 0.15 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2iqf h ASN 242 Cb 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2iqf h ASN 242 CO -0.03 1.11 0.06 -0.61 -1.65 0.00 0.00 177.43 176.31 2iqf h GLN 243 N 0.02 0.18 -0.07 0.81 5.75 -1.88 -1.73 115.11 118.18 2iqf h GLN 243 Ca -0.12 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2iqf h GLN 243 Cb 1.88 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 30.39 2iqf h GLN 243 CO 0.13 0.25 0.01 -0.09 -2.65 0.00 0.00 178.83 176.47 2iqf h ARG 244 N 0.06 0.03 -0.13 1.69 2.43 -1.31 -1.05 114.38 116.10 2iqf h ARG 244 Ca 0.04 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 2iqf h ARG 244 Cb 0.13 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 29.61 2iqf h ARG 244 CO -0.00 0.02 -0.29 0.22 -1.51 0.00 0.00 179.97 178.41 2iqf h ASP 245 N 0.04 -0.89 -0.23 -3.80 3.58 -1.25 -0.07 116.42 113.79 2iqf h ASP 245 Ca 0.03 0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.58 2iqf h ASP 245 Cb 0.03 0.38 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2iqf h ASP 245 CO -0.05 -0.33 -0.00 0.25 -2.88 0.00 0.00 179.24 176.23 2iqf h LEU 246 N -0.36 0.41 -0.19 2.28 5.85 -1.23 -0.31 115.31 121.76 2iqf h LEU 246 Ca 0.10 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.52 2iqf h LEU 246 Cb 0.51 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2iqf h LEU 246 CO -0.33 0.62 0.08 0.15 -0.34 0.00 0.00 178.44 178.61 2iqf h PHE 247 N 0.18 0.14 -0.61 1.25 3.04 -1.11 -1.79 116.94 118.04 2iqf h PHE 247 Ca 0.07 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.97 2iqf h PHE 247 Cb 0.41 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.86 2iqf h PHE 247 CO 0.04 0.08 0.18 -0.44 -2.02 0.00 0.00 178.31 176.15 2iqf h ASP 248 N 0.18 0.89 -0.37 0.41 3.32 -0.98 0.01 116.42 119.88 2iqf h ASP 248 Ca 0.08 -0.21 0.02 0.00 0.02 0.00 0.00 57.03 56.94 2iqf h ASP 248 Cb 0.04 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2iqf h ASP 248 CO -0.07 0.87 0.20 0.00 -1.72 0.00 0.00 179.24 178.52 2iqf h ALA 249 N 1.06 0.46 -0.35 3.45 0.00 -0.88 -1.45 119.26 121.55 2iqf h ALA 249 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.98 2iqf h ALA 249 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2iqf h ALA 249 CO -0.00 -0.16 -0.29 0.82 0.00 0.00 0.00 179.25 179.62 2iqf h ILE 250 N 0.41 1.29 -0.85 0.00 2.04 -1.21 0.11 117.51 119.30 2iqf h ILE 250 Ca 0.15 -1.45 0.15 0.00 1.00 0.00 0.00 64.86 64.71 2iqf h ILE 250 Cb 0.04 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 2iqf h ILE 250 CO -0.09 0.48 0.55 0.00 0.00 0.00 0.00 178.15 179.09 2iqf h ALA 251 N 0.76 1.96 -0.06 1.87 0.00 -0.71 -2.00 119.26 121.08 2iqf h ALA 251 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2iqf h ALA 251 Cb 0.87 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2iqf h ALA 251 CO 0.08 -0.19 0.00 2.89 0.00 0.00 0.00 179.25 182.02 2iqf n ARG 252 N -4.53 2.05 -0.61 0.00 1.85 -0.57 -4.95 116.66 109.90 2iqf n ARG 252 Ca 0.17 -1.53 0.00 0.00 -1.00 0.00 0.00 57.85 55.49 2iqf n ARG 252 Cb 0.51 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 2iqf n ARG 252 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2iqf n GLY 253 N 1.28 0.67 3.08 2.89 0.00 -0.75 -4.98 105.19 107.38 2iqf n GLY 253 Ca 0.16 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2iqf n GLY 253 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2iqf n ASP 254 N 0.46 5.73 -4.64 1.61 2.03 0.35 -5.00 116.55 117.08 2iqf n ASP 254 Ca 0.00 -3.20 -0.43 0.00 0.52 0.00 0.00 54.79 51.68 2iqf n ASP 254 Cb 0.00 -1.39 -0.02 0.00 -0.72 0.00 0.00 41.12 38.99 2iqf n ASP 254 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2iqf s TYR 255 N -1.04 2.90 0.36 -0.67 4.12 -1.26 -4.31 117.35 117.45 2iqf s TYR 255 Ca 0.35 1.04 -0.27 0.00 0.02 0.00 0.00 57.07 58.21 2iqf s TYR 255 Cb 0.03 -3.69 -0.09 0.00 -1.52 0.00 0.00 41.96 36.68 2iqf s TYR 255 CO 0.03 -1.35 1.23 -1.25 0.02 0.00 0.00 175.55 174.23 2iqf s PRO 256 N 3.78 4.25 0.11 -1.71 0.04 -1.24 -4.80 135.00 135.43 2iqf s PRO 256 Ca 0.52 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.66 2iqf s PRO 256 Cb -0.17 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.42 2iqf s PRO 256 CO 0.17 -0.21 -0.17 0.15 0.04 0.00 0.00 177.00 176.98 2iqf s LYS 257 N -1.96 1.07 0.01 4.56 1.02 -1.26 -1.60 119.74 121.57 2iqf s LYS 257 Ca 0.52 -1.19 0.02 0.00 0.02 0.00 0.00 55.97 55.34 2iqf s LYS 257 Cb -0.35 -1.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.81 2iqf s LYS 257 CO 0.46 0.24 -0.06 -1.58 -0.92 0.00 0.00 175.35 173.49 2iqf s TRP 258 N -1.63 0.55 -0.23 3.18 0.51 -0.34 -0.65 118.94 120.34 2iqf s TRP 258 Ca 0.07 -0.20 -0.12 0.00 -2.12 0.00 0.00 56.10 53.73 2iqf s TRP 258 Cb -0.08 -0.35 -0.05 0.00 -0.81 0.00 0.00 33.47 32.19 2iqf s TRP 258 CO 0.04 -0.03 0.25 0.21 -0.51 0.00 0.00 176.95 176.91 2iqf s LYS 259 N -0.50 4.10 -0.14 4.98 2.20 -0.23 -0.89 119.74 129.26 2iqf s LYS 259 Ca -0.01 -0.10 -0.24 0.00 -0.36 0.00 0.00 55.97 55.26 2iqf s LYS 259 Cb -0.04 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 2iqf s LYS 259 CO -0.00 0.01 0.77 -1.17 -0.36 0.00 0.00 175.35 174.60 2iqf s LEU 260 N 1.20 4.21 0.13 5.43 2.96 0.36 -0.85 118.68 132.13 2iqf s LEU 260 Ca 0.12 1.14 0.05 0.00 -0.22 0.00 0.00 54.13 55.21 2iqf s LEU 260 Cb -0.14 -3.15 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2iqf s LEU 260 CO 0.06 -0.30 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.24 2iqf s SER 261 N 1.07 1.79 0.12 3.68 0.01 -0.21 -0.53 113.70 119.62 2iqf s SER 261 Ca 0.37 -0.90 0.07 0.00 1.31 0.00 0.00 55.95 56.80 2iqf s SER 261 Cb -0.17 -0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 2iqf s SER 261 CO 0.14 -0.25 -0.18 0.27 0.41 0.00 0.00 173.24 173.63 2iqf s ILE 262 N -2.72 1.58 -0.02 1.44 -4.36 -1.26 -0.48 121.20 115.38 2iqf s ILE 262 Ca 0.12 -1.63 -0.04 0.00 -0.26 0.00 0.00 60.65 58.83 2iqf s ILE 262 Cb -0.01 -1.55 -0.04 0.00 1.25 0.00 0.00 42.46 42.11 2iqf s ILE 262 CO 0.01 -0.22 0.20 -1.10 0.24 0.00 0.00 174.94 174.08 2iqf s GLN 263 N -2.25 3.48 -0.14 0.37 -0.21 -0.39 -4.29 119.66 116.23 2iqf s GLN 263 Ca 0.08 -0.24 -0.00 0.00 0.02 0.00 0.00 55.36 55.22 2iqf s GLN 263 Cb -0.08 -3.10 0.03 0.00 1.00 0.00 0.00 33.01 30.86 2iqf s GLN 263 CO 0.04 0.68 -0.10 0.08 -2.12 0.00 0.00 175.29 173.87 2iqf s VAL 264 N -1.29 1.29 -0.19 1.09 1.01 -1.26 -1.68 120.40 119.37 2iqf s VAL 264 Ca 0.26 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.68 2iqf s VAL 264 Cb -0.13 -1.29 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2iqf s VAL 264 CO 0.17 0.35 -0.05 -0.32 0.00 0.00 0.00 175.10 175.24 2iqf s MET 265 N 1.59 3.47 0.54 2.72 0.00 0.53 -4.97 119.30 123.18 2iqf s MET 265 Ca 0.04 -0.60 -0.22 0.00 0.00 0.00 0.00 55.69 54.91 2iqf s MET 265 Cb -0.13 -2.94 -0.05 0.00 0.00 0.00 0.00 34.83 31.70 2iqf s MET 265 CO -0.09 -0.02 1.33 -2.14 0.00 0.00 0.00 175.02 174.10 2iqf s PRO 266 N 1.03 3.21 0.29 4.11 0.02 -1.26 -0.66 135.00 141.73 2iqf s PRO 266 Ca 0.01 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2iqf s PRO 266 Cb -0.15 -2.27 0.69 0.00 0.02 0.00 0.00 34.50 32.79 2iqf s PRO 266 CO 0.00 -1.12 1.71 1.49 -0.33 0.00 0.00 177.00 178.75 2iqf h GLU 267 N 1.52 0.42 -0.17 5.54 4.81 -1.94 -0.56 114.58 124.21 2iqf h GLU 267 Ca -0.51 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 2iqf h GLU 267 Cb 1.29 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.58 2iqf h GLU 267 CO 0.58 0.28 0.00 0.39 -0.73 0.00 0.00 179.01 179.52 2iqf n GLU 268 N -5.02 1.57 0.22 1.92 1.02 -1.26 -2.74 120.64 116.36 2iqf n GLU 268 Ca 0.21 -0.87 0.12 0.00 -0.02 0.00 0.00 57.16 56.60 2iqf n GLU 268 Cb 0.62 -1.32 0.19 0.00 -0.02 0.00 0.00 31.44 30.90 2iqf n GLU 268 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2iqf h ASP 269 N 1.65 0.00 0.31 1.62 5.19 -1.43 -3.37 116.42 120.38 2iqf h ASP 269 Ca 0.00 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 2iqf h ASP 269 Cb 0.37 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 2iqf h ASP 269 CO 0.00 0.00 -0.20 0.00 -3.12 0.00 0.00 179.24 175.92 2iqf h ALA 270 N 2.01 1.46 -0.69 3.45 0.00 -1.64 -0.82 119.26 123.02 2iqf h ALA 270 Ca 0.00 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2iqf h ALA 270 Cb 0.98 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2iqf h ALA 270 CO 0.00 0.25 0.17 -0.22 0.00 0.00 0.00 179.25 179.44 2iqf h LYS 271 N 0.00 1.10 0.00 0.00 3.11 -1.69 -3.36 116.57 115.74 2iqf h LYS 271 Ca -0.00 -0.26 0.00 0.00 -2.81 0.00 0.00 60.65 57.58 2iqf h LYS 271 Cb 0.40 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.49 2iqf h LYS 271 CO 0.03 0.97 0.00 1.63 -2.81 0.00 0.00 179.45 179.27 2iqf n LYS 272 N -4.23 -0.63 -1.73 1.90 4.76 -0.94 -4.94 118.16 112.35 2iqf n LYS 272 Ca 0.05 -0.54 -0.42 0.00 -2.87 0.00 0.00 58.31 54.54 2iqf n LYS 272 Cb 0.26 -0.96 -0.00 0.00 -1.84 0.00 0.00 35.03 32.48 2iqf n LYS 272 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 2iqf n TYR 273 N -0.04 2.60 0.40 2.13 9.36 -0.36 -4.85 117.16 126.40 2iqf n TYR 273 Ca 0.00 0.49 0.12 0.00 3.32 0.00 0.00 57.90 61.83 2iqf n TYR 273 Cb 0.04 -2.47 0.48 0.00 -0.63 0.00 0.00 39.34 36.76 2iqf n TYR 273 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2iqf n ARG 274 N 0.62 0.19 -4.57 2.98 1.85 -1.26 -4.50 116.66 111.97 2iqf n ARG 274 Ca 0.04 0.42 -0.34 0.00 -1.00 0.00 0.00 57.85 56.97 2iqf n ARG 274 Cb 0.37 -1.86 -0.12 0.00 -1.05 0.00 0.00 32.46 29.80 2iqf n ARG 274 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2iqf s PHE 275 N -3.30 2.94 -0.39 2.89 0.40 -1.26 -5.06 117.98 114.20 2iqf s PHE 275 Ca 0.04 -0.26 -0.38 0.00 -0.60 0.00 0.00 56.93 55.73 2iqf s PHE 275 Cb 0.09 -1.84 -0.14 0.00 0.51 0.00 0.00 43.02 41.64 2iqf s PHE 275 CO 0.39 0.05 2.15 1.58 0.70 0.00 0.00 175.22 180.09 2iqf n HIS 276 N 3.07 1.50 0.55 0.36 -0.00 -1.26 -4.81 115.22 114.63 2iqf n HIS 276 Ca -0.18 0.44 0.10 0.00 -0.00 0.00 0.00 57.72 58.08 2iqf n HIS 276 Cb 0.53 -2.46 0.41 0.00 -0.00 0.00 0.00 29.99 28.47 2iqf n HIS 276 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2iqf n PRO 277 N 7.84 0.07 -0.12 1.57 -0.02 -1.26 -3.14 135.00 139.94 2iqf n PRO 277 Ca 0.44 0.26 0.07 0.00 -2.02 0.00 0.00 63.50 62.26 2iqf n PRO 277 Cb 0.14 -1.63 0.10 0.00 -0.02 0.00 0.00 33.50 32.10 2iqf n PRO 277 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2iqf n PHE 278 N -1.76 0.00 -3.35 6.00 3.72 -1.26 -4.66 117.46 116.15 2iqf n PHE 278 Ca 0.04 -0.79 -0.43 0.00 -0.05 0.00 0.00 57.45 56.22 2iqf n PHE 278 Cb 0.23 -0.12 -0.09 0.00 -0.94 0.00 0.00 39.48 38.56 2iqf n PHE 278 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2iqf s ASP 279 N -2.38 6.18 0.00 4.37 3.68 -1.19 -4.19 116.67 123.14 2iqf s ASP 279 Ca 0.24 -0.63 0.26 0.00 2.13 0.00 0.00 52.55 54.54 2iqf s ASP 279 Cb 0.21 -2.21 1.52 0.00 -1.45 0.00 0.00 42.92 40.99 2iqf s ASP 279 CO 0.02 -0.53 1.89 0.55 0.13 0.00 0.00 175.17 177.23 2iqf n VAL 280 N 5.37 0.00 1.81 1.11 3.14 -1.26 -1.31 118.33 127.19 2iqf n VAL 280 Ca -0.08 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.39 2iqf n VAL 280 Cb 0.48 -0.58 0.47 0.00 -1.06 0.00 0.00 33.84 33.14 2iqf n VAL 280 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2iqf n THR 281 N -0.99 0.06 -4.22 1.55 -2.24 -1.26 -1.48 114.28 105.70 2iqf n THR 281 Ca 0.19 -0.09 -0.13 0.00 -2.27 0.00 0.00 64.05 61.75 2iqf n THR 281 Cb 0.09 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.10 2iqf n THR 281 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2iqf s LYS 282 N -1.94 0.98 0.48 -0.78 1.02 -0.42 -4.77 119.74 114.31 2iqf s LYS 282 Ca 0.27 -1.38 0.06 0.00 0.02 0.00 0.00 55.97 54.93 2iqf s LYS 282 Cb 0.13 -0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 36.90 2iqf s LYS 282 CO 0.21 0.06 0.27 0.96 -0.92 0.00 0.00 175.35 175.92 2iqf s ILE 283 N -3.26 1.94 -0.20 2.17 -4.36 -1.26 -4.84 121.20 111.39 2iqf s ILE 283 Ca 0.14 -1.62 -0.13 0.00 -0.26 0.00 0.00 60.65 58.78 2iqf s ILE 283 Cb 0.02 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.13 2iqf s ILE 283 CO -0.01 0.00 0.28 0.26 0.24 0.00 0.00 174.94 175.72 2iqf s TRP 284 N -2.69 3.38 0.22 1.37 0.51 -1.26 -4.98 118.94 115.49 2iqf s TRP 284 Ca 0.34 0.47 -0.30 0.00 -2.12 0.00 0.00 56.10 54.50 2iqf s TRP 284 Cb 0.00 -2.38 -0.09 0.00 -0.81 0.00 0.00 33.47 30.19 2iqf s TRP 284 CO 0.20 0.10 1.36 0.71 -0.51 0.00 0.00 176.95 178.80 2iqf s TYR 285 N 0.96 3.17 0.37 -1.98 2.02 -1.26 -4.87 117.35 115.75 2iqf s TYR 285 Ca 0.14 1.15 0.28 0.00 -0.37 0.00 0.00 57.07 58.27 2iqf s TYR 285 Cb -0.14 -3.68 1.41 0.00 -0.40 0.00 0.00 41.96 39.15 2iqf s TYR 285 CO 0.05 -2.17 2.05 1.79 -1.57 0.00 0.00 175.55 175.70 2iqf h THR 286 N 3.66 0.51 0.00 -0.71 1.35 -1.99 -0.17 112.91 115.56 2iqf h THR 286 Ca -0.45 -0.59 -0.01 0.00 -0.55 0.00 0.00 66.41 64.81 2iqf h THR 286 Cb 1.22 1.40 -0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2iqf h THR 286 CO 0.77 0.12 -0.04 0.06 -0.25 0.00 0.00 175.52 176.18 2iqf h GLN 287 N 0.00 0.00 0.10 4.72 3.07 -1.99 -2.49 115.11 118.52 2iqf h GLN 287 Ca -0.00 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.37 2iqf h GLN 287 Cb 0.39 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.92 2iqf h GLN 287 CO 0.02 0.04 -2.05 -0.25 0.09 0.00 0.00 178.83 176.68 2iqf n ASP 288 N -4.14 2.00 -3.60 0.06 10.43 -0.19 -4.80 116.55 116.31 2iqf n ASP 288 Ca -0.03 0.17 -0.29 0.00 2.57 0.00 0.00 54.79 57.21 2iqf n ASP 288 Cb 0.13 -0.73 -0.14 0.00 1.84 0.00 0.00 41.12 42.22 2iqf n ASP 288 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2iqf s TYR 289 N -2.56 1.03 0.71 1.24 2.02 -0.53 -5.06 117.35 114.19 2iqf s TYR 289 Ca -0.23 -1.50 -0.11 0.00 -0.37 0.00 0.00 57.07 54.86 2iqf s TYR 289 Cb 0.07 -1.26 0.02 0.00 -0.40 0.00 0.00 41.96 40.38 2iqf s TYR 289 CO 0.75 -0.84 1.07 -2.14 -1.57 0.00 0.00 175.55 172.82 2iqf s PRO 290 N 1.49 2.81 0.00 -1.71 0.02 -0.95 -4.22 135.00 132.43 2iqf s PRO 290 Ca 0.13 1.02 0.00 0.00 0.02 0.00 0.00 61.00 62.16 2iqf s PRO 290 Cb -0.19 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.36 2iqf s PRO 290 CO -0.20 -1.20 0.00 1.28 -0.33 0.00 0.00 177.00 176.55 2iqf n LEU 291 N -3.15 0.00 -4.16 -5.54 4.77 -1.26 -4.46 117.00 103.20 2iqf n LEU 291 Ca 0.08 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.81 2iqf n LEU 291 Cb 0.53 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.47 2iqf n LEU 291 CO 0.55 -0.72 -0.50 -0.70 -1.33 0.00 0.00 177.39 174.69 2iqf s GLU 293 N -2.87 1.38 -0.03 3.23 2.12 -1.26 -4.91 118.70 116.37 2iqf s GLU 293 Ca 0.00 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.72 2iqf s GLU 293 Cb 0.00 -1.34 -0.02 0.00 0.26 0.00 0.00 34.13 33.04 2iqf s GLU 293 CO 0.00 0.36 -0.03 0.28 -0.54 0.00 0.00 175.26 175.33 2iqf n VAL 294 N 2.67 0.16 -3.91 3.70 0.31 0.31 -4.55 118.33 117.01 2iqf n VAL 294 Ca -0.15 -0.05 0.01 0.00 -0.01 0.00 0.00 64.34 64.14 2iqf n VAL 294 Cb 0.54 -1.05 0.01 0.00 -0.91 0.00 0.00 33.84 32.44 2iqf n VAL 294 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2iqf n GLY 295 N 3.10 0.46 3.07 2.92 0.00 -0.98 -0.78 105.19 112.98 2iqf n GLY 295 Ca -0.05 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 2iqf n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iqf s ILE 296 N -2.09 1.11 -0.07 -0.61 1.01 0.00 -0.48 121.20 120.07 2iqf s ILE 296 Ca 0.21 -0.54 0.01 0.00 0.00 0.00 0.00 60.65 60.33 2iqf s ILE 296 Cb -0.01 -0.97 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 2iqf s ILE 296 CO 0.01 0.33 -0.07 0.54 0.00 0.00 0.00 174.94 175.75 2iqf s VAL 297 N 0.13 3.72 -0.04 2.92 0.11 -0.07 -0.59 120.40 126.57 2iqf s VAL 297 Ca -0.04 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.57 2iqf s VAL 297 Cb -0.10 -2.52 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 2iqf s VAL 297 CO 0.01 0.59 -0.14 -0.70 -3.33 0.00 0.00 175.10 171.54 2iqf s GLU 298 N -0.83 1.58 -0.25 1.54 2.12 0.01 -1.20 118.70 121.68 2iqf s GLU 298 Ca 0.13 -0.50 -0.14 0.00 0.36 0.00 0.00 54.97 54.82 2iqf s GLU 298 Cb -0.11 -1.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 2iqf s GLU 298 CO 0.02 0.16 0.33 -0.51 -0.54 0.00 0.00 175.26 174.72 2iqf s LEU 299 N 0.21 4.08 0.00 2.70 1.43 -0.63 -0.28 118.68 126.20 2iqf s LEU 299 Ca -0.06 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 2iqf s LEU 299 Cb -0.12 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.74 2iqf s LEU 299 CO 0.02 -0.10 0.42 -0.46 0.23 0.00 0.00 176.35 176.46 2iqf n ASN 300 N 4.89 0.13 -3.68 2.29 0.23 -0.38 -3.69 115.26 115.05 2iqf n ASN 300 Ca -0.10 -1.06 -0.11 0.00 -0.53 0.00 0.00 54.58 52.79 2iqf n ASN 300 Cb 0.51 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.10 2iqf n ASN 300 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2iqf s LYS 301 N -0.06 0.30 0.14 -3.83 2.20 -0.75 -5.00 119.74 112.74 2iqf s LYS 301 Ca 0.00 0.83 -0.30 0.00 -0.36 0.00 0.00 55.97 56.14 2iqf s LYS 301 Cb 0.00 0.08 -0.07 0.00 -1.51 0.00 0.00 37.83 36.33 2iqf s LYS 301 CO 0.00 -0.21 1.06 -0.80 -0.36 0.00 0.00 175.35 175.04 2iqf s ASN 302 N 1.98 7.32 0.62 1.43 0.01 -1.26 -0.84 114.94 124.20 2iqf s ASN 302 Ca -0.05 1.98 -0.19 0.00 -0.71 0.00 0.00 52.86 53.90 2iqf s ASN 302 Cb -0.11 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.93 2iqf s ASN 302 CO -0.11 -0.20 1.17 -2.65 -1.51 0.00 0.00 177.10 173.80 2iqf n PRO 303 N 2.68 1.09 -0.01 -0.60 -0.02 -1.26 -4.93 135.00 131.94 2iqf n PRO 303 Ca 0.03 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2iqf n PRO 303 Cb 0.47 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.55 2iqf n PRO 303 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2iqf h GLU 304 N 0.61 0.68 -3.76 -0.52 4.39 -2.01 -3.43 114.58 110.54 2iqf h GLU 304 Ca -0.50 -0.49 -0.45 0.00 0.34 0.00 0.00 59.36 58.25 2iqf h GLU 304 Cb 1.35 0.08 -0.38 0.00 -0.10 0.00 0.00 28.75 29.70 2iqf h GLU 304 CO 0.53 1.11 -0.77 1.21 -1.16 0.00 0.00 179.01 179.93 2iqf s ASN 305 N -7.00 1.75 0.09 1.42 3.84 -1.26 -5.05 114.94 108.74 2iqf s ASN 305 Ca -0.09 -0.16 -0.25 0.00 0.21 0.00 0.00 52.86 52.57 2iqf s ASN 305 Cb 0.10 -0.50 -0.14 0.00 -0.55 0.00 0.00 41.25 40.16 2iqf s ASN 305 CO 0.87 -0.19 1.70 0.22 -2.79 0.00 0.00 177.10 176.92 2iqf h TYR 306 N 8.30 -0.24 -0.06 0.43 3.20 -1.98 -2.31 116.97 124.31 2iqf h TYR 306 Ca -0.21 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 2iqf h TYR 306 Cb 1.12 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 39.48 2iqf h TYR 306 CO 0.46 -0.15 0.03 0.35 -1.64 0.00 0.00 178.16 177.22 2iqf h PHE 307 N -0.22 0.08 -0.10 -3.82 3.04 -1.96 0.35 116.94 114.32 2iqf h PHE 307 Ca -0.00 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.83 2iqf h PHE 307 Cb 0.20 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 2iqf h PHE 307 CO -0.10 0.14 -0.44 0.00 -2.02 0.00 0.00 178.31 175.89 2iqf h ALA 308 N 0.94 1.08 0.00 2.41 0.00 -1.96 -1.47 119.26 120.26 2iqf h ALA 308 Ca 0.02 -0.43 -0.24 0.00 0.00 0.00 0.00 54.91 54.26 2iqf h ALA 308 Cb 0.08 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2iqf h ALA 308 CO -0.00 0.61 -1.92 0.39 0.00 0.00 0.00 179.25 178.33 2iqf n GLU 309 N -4.00 1.29 -0.10 0.00 1.02 -0.88 -4.34 120.64 113.63 2iqf n GLU 309 Ca -0.02 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 2iqf n GLU 309 Cb 0.50 -1.34 -0.06 0.00 -0.02 0.00 0.00 31.44 30.53 2iqf n GLU 309 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2iqf n VAL 310 N -2.68 1.50 -0.22 2.62 0.31 0.11 -3.65 118.33 116.32 2iqf n VAL 310 Ca -0.25 -0.01 -0.00 0.00 -0.01 0.00 0.00 64.34 64.07 2iqf n VAL 310 Cb 0.88 -2.19 0.23 0.00 -0.91 0.00 0.00 33.84 31.85 2iqf n VAL 310 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2iqf h GLU 311 N -1.00 1.00 -0.01 5.55 4.57 -0.92 -2.39 114.58 121.38 2iqf h GLU 311 Ca -0.24 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 2iqf h GLU 311 Cb 1.12 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2iqf h GLU 311 CO -0.14 0.69 -0.11 1.04 -1.18 0.00 0.00 179.01 179.30 2iqf n GLN 312 N -4.40 0.84 -1.99 1.92 6.02 -0.58 -4.90 117.38 114.30 2iqf n GLN 312 Ca 0.08 -0.33 -0.41 0.00 -0.01 0.00 0.00 57.00 56.33 2iqf n GLN 312 Cb 0.05 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.80 2iqf n GLN 312 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2iqf s ALA 313 N -2.39 3.56 -0.06 -1.58 0.00 -0.90 -4.90 121.76 115.48 2iqf s ALA 313 Ca 0.31 1.38 0.02 0.00 0.00 0.00 0.00 51.96 53.67 2iqf s ALA 313 Cb 0.20 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.80 2iqf s ALA 313 CO 0.46 -0.80 -0.09 0.00 0.00 0.00 0.00 175.76 175.32 2iqf s ALA 314 N -0.86 1.08 -0.02 0.00 0.00 -1.26 -5.03 121.76 115.66 2iqf s ALA 314 Ca 0.53 -0.31 0.05 0.00 0.00 0.00 0.00 51.96 52.23 2iqf s ALA 314 Cb -0.43 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2iqf s ALA 314 CO 0.54 0.03 -0.17 -0.06 0.00 0.00 0.00 175.76 176.10 2iqf s PHE 315 N 0.82 1.57 -0.03 0.00 0.40 -1.26 -4.94 117.98 114.54 2iqf s PHE 315 Ca -0.12 -0.34 0.02 0.00 -0.60 0.00 0.00 56.93 55.89 2iqf s PHE 315 Cb -0.15 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.36 2iqf s PHE 315 CO 0.02 -0.06 -0.06 -0.08 0.70 0.00 0.00 175.22 175.74 2iqf s THR 316 N -0.29 0.57 0.64 0.64 -1.32 -1.26 -4.83 115.64 109.79 2iqf s THR 316 Ca 0.04 -0.21 0.34 0.00 -1.21 0.00 0.00 61.69 60.65 2iqf s THR 316 Cb -0.08 -0.54 0.36 0.00 -1.51 0.00 0.00 72.50 70.74 2iqf s THR 316 CO 0.00 0.20 2.11 -0.65 -2.21 0.00 0.00 174.62 174.07 2iqf h PRO 317 N 6.66 0.00 0.00 7.08 0.11 -1.83 -1.26 132.00 142.76 2iqf h PRO 317 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.75 2iqf h PRO 317 Cb 1.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2iqf h PRO 317 CO 0.49 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.21 2iqf h ALA 318 N 1.66 1.28 -1.21 -0.75 0.00 -1.85 -3.39 119.26 115.01 2iqf h ALA 318 Ca 0.03 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.21 2iqf h ALA 318 Cb 0.44 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 2iqf h ALA 318 CO -0.00 0.08 1.71 -0.80 0.00 0.00 0.00 179.25 180.24 2iqf s ASN 319 N -5.97 6.79 0.56 0.00 0.01 -0.48 -4.95 114.94 110.90 2iqf s ASN 319 Ca -0.03 -2.29 0.08 0.00 -0.71 0.00 0.00 52.86 49.91 2iqf s ASN 319 Cb 0.13 -2.52 0.08 0.00 0.41 0.00 0.00 41.25 39.36 2iqf s ASN 319 CO 0.54 -1.15 0.69 1.33 -1.51 0.00 0.00 177.10 177.00 2iqf n VAL 320 N 6.04 0.00 -4.15 1.60 0.24 -1.26 -1.27 118.33 119.52 2iqf n VAL 320 Ca 0.40 -1.94 -0.11 0.00 -2.04 0.00 0.00 64.34 60.65 2iqf n VAL 320 Cb 0.47 -0.41 -0.10 0.00 -1.47 0.00 0.00 33.84 32.32 2iqf n VAL 320 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2iqf s VAL 321 N -2.53 0.69 0.19 3.34 -7.23 -1.26 -4.77 120.40 108.82 2iqf s VAL 321 Ca 0.52 -1.75 -0.32 0.00 -1.81 0.00 0.00 61.98 58.62 2iqf s VAL 321 Cb -0.04 -1.45 -0.15 0.00 0.56 0.00 0.00 36.38 35.29 2iqf s VAL 321 CO 0.33 -0.76 1.22 -2.65 -0.31 0.00 0.00 175.10 172.93 2iqf n PRO 322 N 0.29 1.36 -0.05 4.82 -0.02 -1.26 -0.90 135.00 139.24 2iqf n PRO 322 Ca -0.14 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2iqf n PRO 322 Cb 0.59 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 2iqf n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iqf n GLY 323 N 2.05 0.74 2.95 -1.23 0.00 -1.26 -3.62 105.19 104.83 2iqf n GLY 323 Ca 0.14 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 2iqf n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2iqf s ILE 324 N -2.30 0.59 0.00 -0.61 1.01 -0.07 -1.61 121.20 118.21 2iqf s ILE 324 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.41 2iqf s ILE 324 Cb 0.00 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.92 2iqf s ILE 324 CO 0.00 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.75 2iqf n GLY 325 N 3.43 3.81 0.42 6.18 0.00 0.28 -4.05 105.19 115.25 2iqf n GLY 325 Ca -0.19 -1.53 -0.02 0.00 0.00 0.00 0.00 46.02 44.28 2iqf n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iqf n TYR 326 N 0.00 -3.06 -3.94 1.61 0.53 -1.26 -1.72 117.16 109.32 2iqf n TYR 326 Ca 0.00 -0.22 -0.09 0.00 -1.02 0.00 0.00 57.90 56.57 2iqf n TYR 326 Cb 0.00 -0.07 -0.07 0.00 -1.03 0.00 0.00 39.34 38.17 2iqf n TYR 326 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 2iqf s SER 327 N -1.40 0.04 -0.01 7.72 1.04 -1.26 -3.06 113.70 116.77 2iqf s SER 327 Ca 0.07 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.66 2iqf s SER 327 Cb -0.00 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.56 2iqf s SER 327 CO 0.04 -0.88 1.10 -0.81 0.98 0.00 0.00 173.24 173.67 2iqf n PRO 328 N -0.20 1.03 -1.90 4.02 -0.04 -1.26 -4.60 135.00 132.04 2iqf n PRO 328 Ca -0.08 -0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.89 2iqf n PRO 328 Cb 0.63 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 33.04 2iqf n PRO 328 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2iqf s ASP 329 N 1.02 6.43 0.44 3.54 -1.08 -1.26 -4.89 116.67 120.87 2iqf s ASP 329 Ca 0.01 2.19 0.10 0.00 -0.52 0.00 0.00 52.55 54.34 2iqf s ASP 329 Cb 0.01 -2.53 0.96 0.00 -1.46 0.00 0.00 42.92 39.90 2iqf s ASP 329 CO 0.00 -1.13 2.04 0.03 0.52 0.00 0.00 175.17 176.63 2iqf h ARG 330 N 10.62 0.29 0.05 4.34 3.08 -1.74 -0.97 114.38 130.04 2iqf h ARG 330 Ca -0.41 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 2iqf h ARG 330 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.19 2iqf h ARG 330 CO 0.96 0.26 -0.02 0.52 -1.07 0.00 0.00 179.97 180.61 2iqf h MET 331 N 0.29 -0.06 -0.34 0.04 2.86 -1.89 -2.05 114.93 113.78 2iqf h MET 331 Ca 0.07 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 2iqf h MET 331 Cb 0.09 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 2iqf h MET 331 CO -0.01 0.27 -0.02 1.25 1.06 0.00 0.00 176.91 179.46 2iqf h LEU 332 N -0.39 -0.18 -0.61 1.22 5.85 -1.80 -0.68 115.31 118.72 2iqf h LEU 332 Ca -0.01 0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.87 2iqf h LEU 332 Cb 0.35 0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 2iqf h LEU 332 CO 0.01 -0.05 0.30 1.56 -0.34 0.00 0.00 178.44 179.92 2iqf h GLN 333 N 0.07 0.53 -0.46 1.25 1.08 -1.14 -1.72 115.11 114.72 2iqf h GLN 333 Ca 0.16 -0.03 -0.12 0.00 -1.45 0.00 0.00 58.65 57.22 2iqf h GLN 333 Cb 0.23 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 2iqf h GLN 333 CO -0.29 0.35 -0.17 0.78 -0.95 0.00 0.00 178.83 178.55 2iqf h GLY 334 N 0.55 0.98 1.93 3.46 0.00 -0.88 -2.74 103.07 106.36 2iqf h GLY 334 Ca 0.29 -0.81 0.01 0.00 0.00 0.00 0.00 47.33 46.82 2iqf h GLY 334 CO -0.22 0.74 0.02 3.21 0.00 0.00 0.00 176.54 180.29 2iqf h ARG 335 N 0.79 0.00 -0.35 4.80 3.08 -0.29 -2.14 114.38 120.28 2iqf h ARG 335 Ca 0.12 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.20 2iqf h ARG 335 Cb 0.71 -0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2iqf h ARG 335 CO 0.05 0.00 0.23 -0.07 -1.07 0.00 0.00 179.97 179.12 2iqf h LEU 336 N 0.00 0.27 0.00 3.04 3.38 -1.03 -2.81 115.31 118.16 2iqf h LEU 336 Ca 0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2iqf h LEU 336 Cb 0.06 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2iqf h LEU 336 CO -0.00 0.18 -0.14 0.15 0.09 0.00 0.00 178.44 178.73 2iqf h PHE 337 N 0.31 0.00 -0.87 1.13 3.57 -1.51 -3.42 116.94 116.14 2iqf h PHE 337 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2iqf h PHE 337 Cb 0.19 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 2iqf h PHE 337 CO -0.00 0.65 0.56 1.03 -2.23 0.00 0.00 178.31 178.33 2iqf h SER 338 N -1.00 1.02 0.24 0.41 0.87 -1.22 -2.49 113.55 111.37 2iqf h SER 338 Ca -0.03 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.48 2iqf h SER 338 Cb 0.66 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2iqf h SER 338 CO -0.02 0.75 -0.11 1.88 -0.53 0.00 0.00 176.83 178.80 2iqf h TYR 339 N 1.19 -0.29 -0.94 2.24 0.05 -1.75 -0.80 116.97 116.67 2iqf h TYR 339 Ca 0.32 -0.01 0.15 0.00 0.05 0.00 0.00 58.73 59.24 2iqf h TYR 339 Cb -0.11 0.10 -0.09 0.00 1.01 0.00 0.00 36.73 37.63 2iqf h TYR 339 CO 0.00 0.09 0.55 0.78 -1.05 0.00 0.00 178.16 178.53 2iqf h GLY 340 N -0.84 1.57 0.97 3.88 0.00 -1.81 -0.65 103.07 106.20 2iqf h GLY 340 Ca -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2iqf h GLY 340 CO 0.05 0.03 -0.14 -1.80 0.00 0.00 0.00 176.54 174.69 2iqf h ASP 341 N 0.80 -0.34 0.24 0.19 3.58 -1.30 -1.96 116.42 117.63 2iqf h ASP 341 Ca 0.50 0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.84 2iqf h ASP 341 Cb 0.64 0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2iqf h ASP 341 CO -0.33 -0.23 -0.48 0.00 -2.88 0.00 0.00 179.24 175.32 2iqf h THR 342 N -0.37 1.33 -0.48 2.25 1.03 -0.84 -2.99 112.91 112.85 2iqf h THR 342 Ca -0.03 -1.69 0.04 0.00 -0.01 0.00 0.00 66.41 64.71 2iqf h THR 342 Cb 0.30 1.78 -0.04 0.00 -1.07 0.00 0.00 68.15 69.12 2iqf h THR 342 CO 0.04 0.51 0.25 0.45 -0.01 0.00 0.00 175.52 176.76 2iqf h HIS 343 N 0.23 0.47 -0.78 0.00 3.86 -0.89 0.20 115.15 118.24 2iqf h HIS 343 Ca 0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2iqf h HIS 343 Cb 0.93 -0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 2iqf h HIS 343 CO 0.02 0.24 0.50 0.00 0.86 0.00 0.00 177.93 179.55 2iqf h ARG 344 N 0.50 1.04 0.16 2.45 3.08 -1.22 0.13 114.38 120.52 2iqf h ARG 344 Ca 0.21 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 2iqf h ARG 344 Cb 0.09 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2iqf h ARG 344 CO -0.13 0.70 -0.08 -0.92 -1.07 0.00 0.00 179.97 178.47 2iqf h TYR 345 N 1.06 -0.20 -0.08 3.04 3.20 -1.33 -1.69 116.97 120.97 2iqf h TYR 345 Ca 0.28 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.02 2iqf h TYR 345 Cb -0.09 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 2iqf h TYR 345 CO 0.00 0.20 -0.52 -0.09 -1.64 0.00 0.00 178.16 176.12 2iqf h ARG 346 N -0.68 0.23 0.00 1.82 2.43 -0.41 -3.37 114.38 114.40 2iqf h ARG 346 Ca -0.02 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 2iqf h ARG 346 Cb 0.49 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2iqf h ARG 346 CO 0.04 0.69 -0.77 1.28 -1.51 0.00 0.00 179.97 179.70 2iqf n LEU 347 N -3.94 0.00 0.00 3.80 4.77 0.43 -4.49 117.00 117.57 2iqf n LEU 347 Ca -0.02 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2iqf n LEU 347 Cb 0.55 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.64 2iqf n LEU 347 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2iqf n GLY 348 N 2.07 2.15 0.32 -0.72 0.00 -0.64 -4.52 105.19 103.86 2iqf n GLY 348 Ca 0.00 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.23 2iqf n GLY 348 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2iqf h VAL 349 N 0.00 1.08 -0.44 1.61 3.04 -1.86 -2.01 116.25 117.67 2iqf h VAL 349 Ca 0.00 -0.20 -0.19 0.00 -1.01 0.00 0.00 66.70 65.30 2iqf h VAL 349 Cb 0.00 0.45 -0.11 0.00 -2.01 0.00 0.00 31.29 29.61 2iqf h VAL 349 CO 0.00 0.11 0.24 0.59 -1.01 0.00 0.00 177.57 177.50 2iqf n ASN 350 N -4.47 3.38 0.08 3.17 3.02 -1.26 -4.47 115.26 114.70 2iqf n ASN 350 Ca 0.05 -2.72 0.19 0.00 -0.03 0.00 0.00 54.58 52.07 2iqf n ASN 350 Cb 0.11 -0.65 0.73 0.00 -0.61 0.00 0.00 39.78 39.36 2iqf n ASN 350 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 2iqf h TYR 351 N 0.88 0.00 0.00 3.10 -0.00 -1.59 0.26 116.97 119.62 2iqf h TYR 351 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.97 2iqf h TYR 351 Cb 1.76 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.49 2iqf h TYR 351 CO 0.73 0.00 0.00 -2.30 -0.00 0.00 0.00 178.16 176.59 2iqf n PRO 352 N -4.13 0.08 0.01 0.10 -0.02 -1.26 -1.69 135.00 128.08 2iqf n PRO 352 Ca 0.07 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.91 2iqf n PRO 352 Cb 0.51 -1.50 0.37 0.00 -0.02 0.00 0.00 33.50 32.86 2iqf n PRO 352 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2iqf n GLN 353 N -1.40 0.02 -2.16 -0.52 6.02 0.08 -3.26 117.38 116.16 2iqf n GLN 353 Ca 0.04 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.62 2iqf n GLN 353 Cb 0.12 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.83 2iqf n GLN 353 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2iqf s ILE 354 N -3.01 3.30 0.29 5.09 1.01 -0.69 -4.85 121.20 122.33 2iqf s ILE 354 Ca 0.12 0.92 0.04 0.00 0.00 0.00 0.00 60.65 61.73 2iqf s ILE 354 Cb 0.18 -3.59 0.28 0.00 0.01 0.00 0.00 42.46 39.34 2iqf s ILE 354 CO 0.64 0.07 1.71 -0.65 0.00 0.00 0.00 174.94 176.71 2iqf h PRO 355 N 6.83 0.43 0.00 2.79 0.11 -1.89 -0.08 132.00 140.19 2iqf h PRO 355 Ca -0.42 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2iqf h PRO 355 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2iqf h PRO 355 CO 0.87 0.28 -0.22 -0.24 -0.21 0.00 0.00 178.00 178.48 2iqf h VAL 356 N 0.44 1.02 -0.00 3.15 3.04 -1.90 -2.53 116.25 119.48 2iqf h VAL 356 Ca 0.56 -0.80 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2iqf h VAL 356 Cb 1.03 1.45 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 2iqf h VAL 356 CO -0.50 0.22 -0.52 0.59 -1.01 0.00 0.00 177.57 176.34 2iqf n ASN 357 N -4.07 0.57 -4.77 3.17 3.02 -0.09 -4.94 115.26 108.14 2iqf n ASN 357 Ca -0.02 -0.34 -0.38 0.00 -0.03 0.00 0.00 54.58 53.81 2iqf n ASN 357 Cb 0.29 0.30 -0.02 0.00 -0.61 0.00 0.00 39.78 39.74 2iqf n ASN 357 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2iqf s LYS 358 N -2.97 4.13 0.68 3.52 1.02 -0.94 -4.82 119.74 120.36 2iqf s LYS 358 Ca 0.12 1.80 -0.13 0.00 0.02 0.00 0.00 55.97 57.78 2iqf s LYS 358 Cb 0.17 -2.71 0.01 0.00 -0.52 0.00 0.00 37.83 34.78 2iqf s LYS 358 CO 0.70 -0.24 1.07 -1.25 -0.92 0.00 0.00 175.35 174.71 2iqf s PRO 359 N -2.24 2.84 0.00 -1.68 0.04 -1.26 -4.95 135.00 127.75 2iqf s PRO 359 Ca 0.56 1.14 0.21 0.00 0.04 0.00 0.00 61.00 62.95 2iqf s PRO 359 Cb -0.30 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2iqf s PRO 359 CO 0.37 -1.18 1.04 0.54 0.04 0.00 0.00 177.00 177.81 2iqf n ARG 360 N -2.84 1.46 -3.05 4.56 3.00 -1.26 -4.94 116.66 113.59 2iqf n ARG 360 Ca 0.09 -1.07 -0.18 0.00 -0.01 0.00 0.00 57.85 56.67 2iqf n ARG 360 Cb 0.53 -1.42 0.03 0.00 0.00 0.00 0.00 32.46 31.60 2iqf n ARG 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2iqf s PRO 362 N -4.48 3.48 0.00 0.00 0.02 -1.26 -5.03 135.00 127.73 2iqf s PRO 362 Ca 0.57 2.04 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 2iqf s PRO 362 Cb -0.08 -2.37 -0.00 0.00 0.02 0.00 0.00 34.50 32.07 2iqf s PRO 362 CO 0.35 -0.85 0.11 -0.59 -0.33 0.00 0.00 177.00 175.69 2iqf s PHE 363 N -1.40 0.06 -0.35 6.54 -0.12 -1.26 -4.95 117.98 116.50 2iqf s PHE 363 Ca 0.67 -0.16 0.05 0.00 -0.05 0.00 0.00 56.93 57.44 2iqf s PHE 363 Cb -0.35 -0.06 0.17 0.00 -0.63 0.00 0.00 43.02 42.14 2iqf s PHE 363 CO 0.43 -0.25 0.50 -1.01 -0.05 0.00 0.00 175.22 174.84 2iqf s HIS 364 N -1.27 -1.18 -0.00 3.49 0.09 -1.26 -5.11 115.29 110.05 2iqf s HIS 364 Ca -0.14 0.08 -0.09 0.00 -0.00 0.00 0.00 55.06 54.92 2iqf s HIS 364 Cb -0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 32.58 32.46 2iqf s HIS 364 CO 0.01 -1.06 0.30 0.45 -0.00 0.00 0.00 174.74 174.43 2iqf s SER 365 N 2.02 6.56 0.00 1.40 0.15 -1.26 -4.99 113.70 117.58 2iqf s SER 365 Ca 0.14 0.66 0.27 0.00 0.70 0.00 0.00 55.95 57.71 2iqf s SER 365 Cb -0.10 -2.13 1.39 0.00 -1.71 0.00 0.00 66.02 63.47 2iqf s SER 365 CO -0.14 0.28 1.92 -1.54 1.20 0.00 0.00 173.24 174.96 2iqf n SER 366 N 1.33 0.00 -4.76 5.45 3.41 -1.26 -4.84 113.62 112.95 2iqf n SER 366 Ca -0.12 -0.19 -0.35 0.00 -0.26 0.00 0.00 58.87 57.94 2iqf n SER 366 Cb 0.53 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.26 2iqf n SER 366 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2iqf s SER 367 N -2.50 5.32 0.05 4.04 0.01 -1.26 -4.80 113.70 114.55 2iqf s SER 367 Ca 0.27 2.26 -0.04 0.00 1.31 0.00 0.00 55.95 59.76 2iqf s SER 367 Cb 0.18 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.80 2iqf s SER 367 CO 0.40 -1.50 0.05 -0.13 0.41 0.00 0.00 173.24 172.47 2iqf s ARG 368 N -3.44 0.61 4.76 12.44 1.81 -1.26 -5.12 118.95 128.76 2iqf s ARG 368 Ca 0.74 -0.95 0.00 0.00 -1.72 0.00 0.00 55.73 53.80 2iqf s ARG 368 Cb -0.27 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.46 2iqf s ARG 368 CO 0.32 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.55 2iqf n ASP 369 N 0.46 0.00 -0.17 0.23 8.00 -1.26 -5.05 116.55 118.76 2iqf n ASP 369 Ca -0.17 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.35 2iqf n ASP 369 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 2iqf n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2iqf n GLY 370 N 0.00 -2.49 2.82 0.44 0.00 -1.26 -4.64 105.19 100.05 2iqf n GLY 370 Ca 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.58 2iqf n GLY 370 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iqf n TYR 371 N -2.42 0.00 -3.62 1.61 4.02 -1.26 -4.97 117.16 110.52 2iqf n TYR 371 Ca -0.01 -0.27 -0.01 0.00 -0.01 0.00 0.00 57.90 57.61 2iqf n TYR 371 Cb 0.08 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 38.89 2iqf n TYR 371 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2iqf s GLN 373 N 3.34 0.26 0.41 -0.72 2.00 -1.26 -4.41 119.66 119.28 2iqf s GLN 373 Ca 0.04 0.47 0.21 0.00 -2.00 0.00 0.00 55.36 54.08 2iqf s GLN 373 Cb 0.01 0.07 0.29 0.00 0.80 0.00 0.00 33.01 34.18 2iqf s GLN 373 CO 0.02 -0.06 1.58 -2.95 -0.50 0.00 0.00 175.29 173.38 2iqf h ASN 374 N 5.87 0.00 -1.95 6.67 7.08 -1.93 -3.48 115.58 127.85 2iqf h ASN 374 Ca -0.27 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 52.73 2iqf h ASN 374 Cb 1.18 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2iqf h ASN 374 CO 0.20 0.10 -0.30 0.61 -2.08 0.00 0.00 177.43 175.96 2iqf n GLY 375 N 1.12 -0.06 0.37 9.14 0.00 -1.26 -4.92 105.19 109.59 2iqf n GLY 375 Ca 0.04 -0.37 0.13 0.00 0.00 0.00 0.00 46.02 45.82 2iqf n GLY 375 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2iqf h TYR 376 N -0.24 0.86 0.00 1.61 -0.00 -2.03 -2.15 116.97 115.02 2iqf h TYR 376 Ca -0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.73 58.48 2iqf h TYR 376 Cb 1.20 -0.27 0.00 0.00 -0.00 0.00 0.00 36.73 37.66 2iqf h TYR 376 CO 0.30 0.27 0.00 2.48 -0.00 0.00 0.00 178.16 181.20 2iqf n TYR 377 N -4.61 0.37 -1.51 0.10 0.18 -1.26 -4.97 117.16 105.46 2iqf n TYR 377 Ca 0.20 0.14 0.00 0.00 1.88 0.00 0.00 57.90 60.12 2iqf n TYR 377 Cb 0.54 -0.73 0.00 0.00 -0.38 0.00 0.00 39.34 38.77 2iqf n TYR 377 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2iqf n GLY 378 N 0.02 3.25 0.30 -7.48 0.00 -0.81 -2.13 105.19 98.34 2iqf n GLY 378 Ca 0.03 -0.18 0.03 0.00 0.00 0.00 0.00 46.02 45.90 2iqf n GLY 378 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2iqf n SER 379 N 3.16 0.87 -4.77 1.61 7.64 -1.26 -4.97 113.62 115.91 2iqf n SER 379 Ca 0.00 -2.00 -0.39 0.00 1.01 0.00 0.00 58.87 57.49 2iqf n SER 379 Cb 0.00 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2iqf n SER 379 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2iqf s LEU 380 N -1.00 4.14 0.61 -3.43 2.96 -0.90 -4.92 118.68 116.14 2iqf s LEU 380 Ca 0.11 2.69 -0.18 0.00 -0.22 0.00 0.00 54.13 56.53 2iqf s LEU 380 Cb 0.06 -3.97 -0.06 0.00 0.50 0.00 0.00 46.19 42.72 2iqf s LEU 380 CO 0.07 -0.99 0.76 0.00 -1.32 0.00 0.00 176.35 174.87 2iqf n GLN 381 N -0.10 0.65 -0.08 1.98 0.00 -1.26 -4.94 117.38 113.63 2iqf n GLN 381 Ca 0.05 0.26 0.06 0.00 0.00 0.00 0.00 57.00 57.37 2iqf n GLN 381 Cb 0.44 -1.97 0.10 0.00 0.00 0.00 0.00 30.24 28.81 2iqf n GLN 381 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 2iqf n ASN 382 N -0.35 2.40 -4.08 2.61 0.23 -1.26 -4.98 115.26 109.83 2iqf n ASN 382 Ca 0.13 -2.62 -0.09 0.00 -0.53 0.00 0.00 54.58 51.47 2iqf n ASN 382 Cb 0.48 -0.27 -0.09 0.00 -2.08 0.00 0.00 39.78 37.81 2iqf n ASN 382 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 2iqf s TYR 383 N -2.08 0.62 0.04 -2.53 -0.85 -1.26 -4.88 117.35 106.41 2iqf s TYR 383 Ca 0.21 -1.06 -0.00 0.00 -0.52 0.00 0.00 57.07 55.70 2iqf s TYR 383 Cb 0.18 -0.35 -0.03 0.00 0.38 0.00 0.00 41.96 42.13 2iqf s TYR 383 CO 0.03 -0.50 -0.03 0.95 -1.52 0.00 0.00 175.55 174.48 2iqf s THR 384 N -3.98 0.21 0.95 -3.49 -4.23 -1.26 -4.73 115.64 99.12 2iqf s THR 384 Ca 0.16 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.06 2iqf s THR 384 Cb 0.07 -1.03 0.18 0.00 1.34 0.00 0.00 72.50 73.06 2iqf s THR 384 CO -0.04 -0.79 1.28 -2.16 -0.54 0.00 0.00 174.62 172.38 2iqf s PRO 385 N -2.92 0.75 0.01 3.99 0.04 -1.26 -5.20 135.00 130.41 2iqf s PRO 385 Ca -0.02 -0.28 -0.23 0.00 0.04 0.00 0.00 61.00 60.52 2iqf s PRO 385 Cb 0.01 -1.85 0.05 0.00 0.04 0.00 0.00 34.50 32.75 2iqf s PRO 385 CO -0.06 -2.36 0.51 0.45 0.04 0.00 0.00 177.00 175.58 2iqf s SER 386 N -4.74 -0.43 0.18 6.66 0.15 -1.26 -5.02 113.70 109.24 2iqf s SER 386 Ca 0.71 0.28 0.24 0.00 0.70 0.00 0.00 55.95 57.89 2iqf s SER 386 Cb -0.06 0.46 0.43 0.00 -1.71 0.00 0.00 66.02 65.15 2iqf s SER 386 CO 0.53 -0.63 1.44 0.28 1.20 0.00 0.00 173.24 176.05 2iqf h SER 387 N 3.08 0.00 -2.31 5.45 0.02 -2.03 -3.47 113.55 114.28 2iqf h SER 387 Ca -0.30 -0.12 -0.45 0.00 -0.84 0.00 0.00 61.79 60.09 2iqf h SER 387 Cb 1.19 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.75 2iqf h SER 387 CO 0.41 0.06 -0.18 -0.76 -1.14 0.00 0.00 176.83 175.21 2iqf s LEU 388 N -4.58 3.72 0.51 5.07 1.43 -1.26 -5.05 118.68 118.53 2iqf s LEU 388 Ca 0.07 0.05 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 2iqf s LEU 388 Cb 0.12 -2.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.31 2iqf s LEU 388 CO 0.69 -0.66 1.01 -2.65 0.23 0.00 0.00 176.35 174.97 2iqf n PRO 389 N -1.94 1.19 -0.74 1.29 -0.02 -1.26 -4.92 135.00 128.60 2iqf n PRO 389 Ca 0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 2iqf n PRO 389 Cb 0.58 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2iqf n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2iqf n GLY 390 N 1.20 0.78 3.69 -1.23 0.00 -1.26 -5.01 105.19 103.36 2iqf n GLY 390 Ca 0.11 -0.69 -0.44 0.00 0.00 0.00 0.00 46.02 45.00 2iqf n GLY 390 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2iqf n TYR 391 N 0.00 2.50 -4.28 1.61 4.02 -1.26 -5.00 117.16 114.76 2iqf n TYR 391 Ca 0.00 0.04 -0.34 0.00 -0.01 0.00 0.00 57.90 57.59 2iqf n TYR 391 Cb 0.00 -2.65 -0.14 0.00 -0.02 0.00 0.00 39.34 36.53 2iqf n TYR 391 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 2iqf s LYS 392 N 1.96 3.38 0.51 -0.72 -0.14 -1.26 -4.99 119.74 118.48 2iqf s LYS 392 Ca 0.81 -0.65 -0.20 0.00 -1.36 0.00 0.00 55.97 54.56 2iqf s LYS 392 Cb -0.58 -2.83 -0.07 0.00 -1.68 0.00 0.00 37.83 32.67 2iqf s LYS 392 CO 0.38 -0.01 1.11 -1.21 -0.76 0.00 0.00 175.35 174.86 2iqf s GLU 393 N 0.95 3.55 -0.74 1.68 2.02 -1.26 -5.01 118.70 119.89 2iqf s GLU 393 Ca -0.01 1.58 -0.16 0.00 0.02 0.00 0.00 54.97 56.40 2iqf s GLU 393 Cb -0.15 -2.11 0.17 0.00 0.10 0.00 0.00 34.13 32.15 2iqf s GLU 393 CO -0.00 -0.68 0.74 0.34 0.02 0.00 0.00 175.26 175.68 2iqf s ASP 394 N -1.75 6.54 0.07 -0.19 3.68 -1.26 -4.93 116.67 118.83 2iqf s ASP 394 Ca 0.70 -2.25 0.24 0.00 2.13 0.00 0.00 52.55 53.37 2iqf s ASP 394 Cb -0.23 -2.25 0.96 0.00 -1.45 0.00 0.00 42.92 39.96 2iqf s ASP 394 CO 0.26 -0.77 1.75 0.29 0.13 0.00 0.00 175.17 176.84 2iqf n LYS 395 N 4.88 0.07 0.29 4.34 5.02 -1.26 -2.10 118.16 129.41 2iqf n LYS 395 Ca 0.06 0.16 0.18 0.00 -2.02 0.00 0.00 58.31 56.68 2iqf n LYS 395 Cb 0.45 -1.60 0.87 0.00 -0.02 0.00 0.00 35.03 34.73 2iqf n LYS 395 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2iqf h SER 396 N 0.00 0.00 0.16 4.39 4.64 -2.05 -2.85 113.55 117.84 2iqf h SER 396 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iqf h SER 396 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2iqf h SER 396 CO 0.00 0.03 -0.05 0.00 -0.87 0.00 0.00 176.83 175.94 2iqf n ALA 397 N -2.13 2.70 -1.62 5.18 0.00 -0.89 -4.91 120.51 118.82 2iqf n ALA 397 Ca -0.01 -0.30 -0.48 0.00 0.00 0.00 0.00 53.44 52.66 2iqf n ALA 397 Cb 0.21 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 2iqf n ALA 397 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2iqf n ARG 398 N -0.67 1.55 -2.48 0.00 0.63 -1.08 -4.90 116.66 109.71 2iqf n ARG 398 Ca 0.18 0.55 -0.42 0.00 -0.92 0.00 0.00 57.85 57.25 2iqf n ARG 398 Cb 0.25 -2.15 -0.03 0.00 0.45 0.00 0.00 32.46 30.98 2iqf n ARG 398 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2iqf s ASP 399 N 0.25 7.11 0.72 6.15 3.68 -1.26 -5.01 116.67 128.31 2iqf s ASP 399 Ca 0.73 1.87 -0.16 0.00 2.13 0.00 0.00 52.55 57.13 2iqf s ASP 399 Cb -0.78 -2.57 0.02 0.00 -1.45 0.00 0.00 42.92 38.14 2iqf s ASP 399 CO 0.49 -0.48 1.10 -2.65 0.13 0.00 0.00 175.17 173.75 2iqf n PRO 400 N 4.45 0.61 -1.46 4.34 -0.02 -1.26 -4.92 135.00 136.74 2iqf n PRO 400 Ca 0.09 0.27 -0.44 0.00 -2.02 0.00 0.00 63.50 61.40 2iqf n PRO 400 Cb 0.47 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2iqf n PRO 400 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2iqf n LYS 401 N -2.13 0.57 -4.01 -0.52 5.02 -1.26 -4.97 118.16 110.86 2iqf n LYS 401 Ca 0.14 0.20 -0.31 0.00 -2.02 0.00 0.00 58.31 56.32 2iqf n LYS 401 Cb 0.49 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.94 2iqf n LYS 401 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2iqf s PHE 402 N -1.23 2.55 -0.34 2.13 5.36 -1.26 -5.07 117.98 120.13 2iqf s PHE 402 Ca 0.62 -1.70 -0.19 0.00 -0.96 0.00 0.00 56.93 54.69 2iqf s PHE 402 Cb -0.73 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.25 2iqf s PHE 402 CO 0.58 -0.77 0.58 1.21 -1.46 0.00 0.00 175.22 175.37 2iqf s ASN 403 N 1.35 6.40 0.59 6.13 3.84 -1.26 -4.94 114.94 127.05 2iqf s ASN 403 Ca -0.02 0.17 0.37 0.00 0.21 0.00 0.00 52.86 53.59 2iqf s ASN 403 Cb -0.17 -2.30 1.74 0.00 -0.55 0.00 0.00 41.25 39.97 2iqf s ASN 403 CO -0.08 -0.51 2.13 -0.07 -2.79 0.00 0.00 177.10 175.78 2iqf h LEU 404 N 9.19 0.00 -2.29 3.21 3.38 -1.99 -1.82 115.31 125.00 2iqf h LEU 404 Ca -0.27 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 2iqf h LEU 404 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2iqf h LEU 404 CO 0.80 0.02 0.21 0.00 0.09 0.00 0.00 178.44 179.55 2iqf h ALA 405 N 1.98 1.60 0.00 1.53 0.00 -1.93 -0.50 119.26 121.94 2iqf h ALA 405 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iqf h ALA 405 Cb 0.32 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2iqf h ALA 405 CO 0.00 -0.28 0.00 0.72 0.00 0.00 0.00 179.25 179.69 2iqf n HIS 406 N -3.49 0.00 0.00 0.00 8.25 -0.68 -4.02 115.22 115.27 2iqf n HIS 406 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2iqf n HIS 406 Cb 0.31 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 30.98 2iqf n HIS 406 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2iqf n ILE 407 N -1.44 0.00 -3.87 1.59 -5.35 -0.25 -2.84 119.36 107.20 2iqf n ILE 407 Ca 0.06 -0.09 -0.07 0.00 -0.27 0.00 0.00 62.75 62.38 2iqf n ILE 407 Cb 0.20 0.53 -0.02 0.00 -1.74 0.00 0.00 39.64 38.61 2iqf n ILE 407 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2iqf s GLU 408 N -0.70 1.75 -0.00 6.28 -1.05 -0.88 -4.71 118.70 119.39 2iqf s GLU 408 Ca 0.00 -1.01 0.09 0.00 -0.15 0.00 0.00 54.97 53.90 2iqf s GLU 408 Cb 0.00 0.59 -0.11 0.00 -0.44 0.00 0.00 34.13 34.17 2iqf s GLU 408 CO 0.00 -0.80 0.35 1.63 0.95 0.00 0.00 175.26 177.39 2iqf n LYS 409 N -0.45 2.92 -4.97 -4.83 5.02 -1.26 -4.28 118.16 110.31 2iqf n LYS 409 Ca -0.04 -0.02 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 2iqf n LYS 409 Cb 0.59 -1.02 -0.15 0.00 -0.02 0.00 0.00 35.03 34.44 2iqf n LYS 409 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2iqf s GLU 410 N -2.10 1.96 0.00 1.97 2.02 -1.26 -5.06 118.70 116.23 2iqf s GLU 410 Ca 0.02 -1.02 0.00 0.00 0.02 0.00 0.00 54.97 53.98 2iqf s GLU 410 Cb 0.07 -2.05 0.00 0.00 0.10 0.00 0.00 34.13 32.25 2iqf s GLU 410 CO 0.39 0.53 0.28 1.19 0.02 0.00 0.00 175.26 177.67 2iqf n PHE 411 N 1.94 0.00 -2.04 1.61 3.01 -1.26 -5.05 117.46 115.66 2iqf n PHE 411 Ca -0.17 -0.02 -0.37 0.00 1.01 0.00 0.00 57.45 57.91 2iqf n PHE 411 Cb 0.52 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 2iqf n PHE 411 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2iqf s GLU 412 N -0.04 3.18 -0.09 -1.08 8.01 -1.26 -4.96 118.70 122.46 2iqf s GLU 412 Ca 0.00 1.87 -0.30 0.00 0.01 0.00 0.00 54.97 56.55 2iqf s GLU 412 Cb 0.00 -2.08 -0.03 0.00 -4.31 0.00 0.00 34.13 27.70 2iqf s GLU 412 CO 0.00 -1.05 1.34 0.08 0.01 0.00 0.00 175.26 175.64 2iqf s VAL 413 N -1.55 4.05 0.17 2.63 1.01 -1.26 -4.98 120.40 120.47 2iqf s VAL 413 Ca 0.73 1.33 -0.24 0.00 0.00 0.00 0.00 61.98 63.80 2iqf s VAL 413 Cb -0.31 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.27 2iqf s VAL 413 CO 0.35 -0.07 0.96 0.86 0.00 0.00 0.00 175.10 177.21 2iqf s TRP 414 N 3.06 -0.10 -0.94 5.22 -0.00 -1.26 -5.06 118.94 119.86 2iqf s TRP 414 Ca 0.60 -0.24 -0.18 0.00 -0.00 0.00 0.00 56.10 56.28 2iqf s TRP 414 Cb -0.26 0.65 0.13 0.00 -0.00 0.00 0.00 33.47 34.00 2iqf s TRP 414 CO 0.21 -0.87 1.13 0.54 -0.00 0.00 0.00 176.95 177.96 2iqf s ASN 415 N -3.01 6.65 -0.25 5.86 4.22 -1.26 -5.03 114.94 122.13 2iqf s ASN 415 Ca 0.14 -2.10 -0.27 0.00 -2.14 0.00 0.00 52.86 48.49 2iqf s ASN 415 Cb -0.02 -2.39 0.00 0.00 1.28 0.00 0.00 41.25 40.12 2iqf s ASN 415 CO 0.03 -1.04 0.93 0.26 -2.04 0.00 0.00 177.10 175.24 2iqf s TRP 416 N 2.58 3.30 -0.06 1.54 0.52 -1.26 -4.98 118.94 120.58 2iqf s TRP 416 Ca 0.33 1.26 -0.29 0.00 0.02 0.00 0.00 56.10 57.41 2iqf s TRP 416 Cb -0.05 -3.20 -0.07 0.00 -1.15 0.00 0.00 33.47 29.01 2iqf s TRP 416 CO -0.09 -0.47 2.00 0.34 0.02 0.00 0.00 176.95 178.75 2iqf s ASP 417 N 1.32 6.16 0.41 2.95 -1.08 -1.26 -4.82 116.67 120.35 2iqf s ASP 417 Ca 0.39 2.34 0.09 0.00 -0.52 0.00 0.00 52.55 54.85 2iqf s ASP 417 Cb -0.15 -2.52 0.89 0.00 -1.46 0.00 0.00 42.92 39.68 2iqf s ASP 417 CO 0.08 -1.33 2.01 0.22 0.52 0.00 0.00 175.17 176.66 2iqf h TYR 418 N 11.88 0.55 0.00 -5.34 -0.00 -1.93 -2.28 116.97 119.84 2iqf h TYR 418 Ca -0.45 0.01 -0.06 0.00 -0.00 0.00 0.00 58.73 58.23 2iqf h TYR 418 Cb 1.23 -0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.77 2iqf h TYR 418 CO 0.95 0.30 -0.30 0.00 -0.00 0.00 0.00 178.16 179.11 2iqf h ARG 419 N 0.55 0.00 -0.00 1.82 3.08 -1.88 0.11 114.38 118.06 2iqf h ARG 419 Ca 0.24 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.13 2iqf h ARG 419 Cb 0.24 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2iqf h ARG 419 CO -0.07 0.30 -0.72 0.00 -1.07 0.00 0.00 179.97 178.41 2iqf h ALA 420 N 1.70 0.81 0.15 0.04 0.00 -1.80 -3.28 119.26 116.88 2iqf h ALA 420 Ca -0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.91 53.95 2iqf h ALA 420 Cb 0.64 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.32 2iqf h ALA 420 CO 0.04 0.89 -1.46 0.22 0.00 0.00 0.00 179.25 178.94 2iqf h ASP 421 N 0.01 0.51 -2.89 0.00 1.82 -1.30 -3.46 116.42 111.10 2iqf h ASP 421 Ca -0.01 -0.62 -0.13 0.00 -0.39 0.00 0.00 57.03 55.88 2iqf h ASP 421 Cb 1.27 -0.17 -0.28 0.00 0.68 0.00 0.00 39.33 40.84 2iqf h ASP 421 CO 0.09 1.51 -0.37 -0.62 -1.61 0.00 0.00 179.24 178.24 2iqf s ASP 422 N -7.18 -0.28 -0.12 2.28 2.15 0.31 -5.01 116.67 108.82 2iqf s ASP 422 Ca -0.08 0.87 0.17 0.00 0.43 0.00 0.00 52.55 53.94 2iqf s ASP 422 Cb 0.06 0.98 0.42 0.00 -0.30 0.00 0.00 42.92 44.07 2iqf s ASP 422 CO 0.88 -0.21 1.20 -1.54 -0.17 0.00 0.00 175.17 175.32 2iqf n SER 423 N 4.86 1.41 -3.94 -0.34 3.41 -1.25 -4.01 113.62 113.76 2iqf n SER 423 Ca -0.15 -3.09 -0.43 0.00 -0.26 0.00 0.00 58.87 54.94 2iqf n SER 423 Cb 0.52 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 2iqf n SER 423 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2iqf n ASP 424 N -0.44 5.09 0.16 4.04 2.03 -1.26 -4.74 116.55 121.43 2iqf n ASP 424 Ca 0.13 -3.09 0.11 0.00 0.52 0.00 0.00 54.79 52.46 2iqf n ASP 424 Cb 0.88 -1.49 0.08 0.00 -0.72 0.00 0.00 41.12 39.87 2iqf n ASP 424 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 2iqf h TYR 425 N 5.93 0.00 0.00 -0.67 0.99 -1.93 -3.40 116.97 117.89 2iqf h TYR 425 Ca 0.39 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.09 2iqf h TYR 425 Cb 0.66 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.39 2iqf h TYR 425 CO 1.23 0.04 -1.32 0.66 -0.00 0.00 0.00 178.16 178.78 2iqf n TYR 426 N -2.92 0.00 0.10 4.88 4.02 -1.26 -4.56 117.16 117.41 2iqf n TYR 426 Ca 0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.79 2iqf n TYR 426 Cb 0.56 -0.18 -0.05 0.00 -0.02 0.00 0.00 39.34 39.64 2iqf n TYR 426 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 2iqf h THR 427 N 0.00 0.52 -0.17 -0.72 2.02 -1.88 -1.85 112.91 110.83 2iqf h THR 427 Ca -0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.07 2iqf h THR 427 Cb 0.55 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2iqf h THR 427 CO 0.00 0.00 -0.16 1.56 0.37 0.00 0.00 175.52 177.29 2iqf h GLN 428 N -0.39 0.41 -0.76 6.66 4.20 -1.86 -2.24 115.11 121.14 2iqf h GLN 428 Ca 0.03 -0.22 0.09 0.00 0.06 0.00 0.00 58.65 58.62 2iqf h GLN 428 Cb 0.42 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.14 2iqf h GLN 428 CO -0.14 0.78 0.41 -1.35 -0.67 0.00 0.00 178.83 177.86 2iqf h PRO 429 N 0.06 0.66 -0.48 1.46 0.11 -1.80 -0.83 132.00 131.19 2iqf h PRO 429 Ca 0.03 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.13 2iqf h PRO 429 Cb 0.70 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.62 2iqf h PRO 429 CO 0.04 0.44 0.26 0.78 -0.21 0.00 0.00 178.00 179.31 2iqf h GLY 430 N 0.68 0.67 1.02 -0.55 0.00 -1.28 0.81 103.07 104.42 2iqf h GLY 430 Ca 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 2iqf h GLY 430 CO -0.26 0.14 0.50 -0.55 0.00 0.00 0.00 176.54 176.37 2iqf h ASP 431 N 0.52 1.03 -0.23 0.19 3.32 -1.07 -1.45 116.42 118.73 2iqf h ASP 431 Ca 0.20 -0.08 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 2iqf h ASP 431 Cb 0.07 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 2iqf h ASP 431 CO -0.12 0.80 -0.03 0.22 -1.72 0.00 0.00 179.24 178.40 2iqf h TYR 432 N 1.17 0.47 -0.02 4.55 3.20 -0.96 -2.21 116.97 123.17 2iqf h TYR 432 Ca 0.30 -0.09 0.02 0.00 3.14 0.00 0.00 58.73 62.10 2iqf h TYR 432 Cb -0.02 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.11 2iqf h TYR 432 CO 0.00 0.63 -0.08 -0.92 -1.64 0.00 0.00 178.16 176.15 2iqf h TYR 433 N 0.18 -0.20 0.00 -3.82 3.20 -0.71 -1.99 116.97 113.62 2iqf h TYR 433 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2iqf h TYR 433 Cb 0.46 0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 2iqf h TYR 433 CO 0.04 -0.13 -0.06 0.00 -1.64 0.00 0.00 178.16 176.37 2iqf h ARG 434 N -0.13 0.00 0.00 1.82 3.08 -1.27 -1.63 114.38 116.25 2iqf h ARG 434 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2iqf h ARG 434 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2iqf h ARG 434 CO -0.10 0.06 0.00 0.66 -1.07 0.00 0.00 179.97 179.53 2iqf h SER 435 N 0.00 0.00 -3.65 7.04 4.64 -0.70 -3.46 113.55 117.42 2iqf h SER 435 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2iqf h SER 435 Cb 0.19 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2iqf h SER 435 CO 0.01 0.00 0.28 -0.76 -0.87 0.00 0.00 176.83 175.49 2iqf s LEU 436 N -4.59 4.62 0.73 5.97 1.43 -0.62 -5.02 118.68 121.20 2iqf s LEU 436 Ca 0.05 1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.82 2iqf s LEU 436 Cb 0.10 -3.49 0.04 0.00 0.03 0.00 0.00 46.19 42.87 2iqf s LEU 436 CO 0.43 0.17 1.24 -2.84 0.23 0.00 0.00 176.35 175.58 2iqf s PRO 437 N -1.10 2.11 0.41 1.29 0.02 -1.26 -4.71 135.00 131.75 2iqf s PRO 437 Ca 0.39 1.89 0.07 0.00 0.02 0.00 0.00 61.00 63.37 2iqf s PRO 437 Cb -0.25 -1.81 0.85 0.00 0.02 0.00 0.00 34.50 33.31 2iqf s PRO 437 CO 0.30 -1.89 2.06 0.00 -0.33 0.00 0.00 177.00 177.13 2iqf h ALA 438 N -0.18 1.70 -0.37 -1.55 0.00 -1.97 -1.04 119.26 115.85 2iqf h ALA 438 Ca -0.48 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.23 2iqf h ALA 438 Cb 1.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2iqf h ALA 438 CO 0.50 0.28 -0.40 0.38 0.00 0.00 0.00 179.25 180.00 2iqf h ASP 439 N 0.57 0.99 -0.30 0.00 2.03 -2.00 -2.51 116.42 115.20 2iqf h ASP 439 Ca 0.15 -0.46 -0.01 0.00 -0.73 0.00 0.00 57.03 55.98 2iqf h ASP 439 Cb -0.06 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 38.14 2iqf h ASP 439 CO -0.03 1.26 0.13 -0.08 -1.03 0.00 0.00 179.24 179.49 2iqf h GLU 440 N 0.75 0.44 -1.00 4.15 4.81 -1.64 -2.56 114.58 119.54 2iqf h GLU 440 Ca 0.06 -0.07 0.20 0.00 -0.13 0.00 0.00 59.36 59.41 2iqf h GLU 440 Cb 1.00 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.20 2iqf h GLU 440 CO 0.10 0.43 0.61 0.87 -0.73 0.00 0.00 179.01 180.29 2iqf h LYS 441 N 0.34 0.67 -0.16 1.92 1.57 -1.11 -0.52 116.57 119.29 2iqf h LYS 441 Ca 0.10 -0.04 -0.18 0.00 -1.87 0.00 0.00 60.65 58.66 2iqf h LYS 441 Cb 0.15 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 2iqf h LYS 441 CO -0.01 0.44 -0.64 0.93 -0.57 0.00 0.00 179.45 179.60 2iqf h GLU 442 N 0.69 0.59 -0.68 3.15 4.39 -1.11 -0.96 114.58 120.65 2iqf h GLU 442 Ca 0.57 -0.42 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 2iqf h GLU 442 Cb 0.99 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 2iqf h GLU 442 CO -0.36 1.04 0.26 0.00 -1.16 0.00 0.00 179.01 178.79 2iqf h ARG 443 N 0.43 1.03 -0.17 2.33 3.08 -0.97 -2.20 114.38 117.91 2iqf h ARG 443 Ca -0.01 -0.20 0.03 0.00 0.07 0.00 0.00 59.98 59.87 2iqf h ARG 443 Cb 1.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 31.08 2iqf h ARG 443 CO 0.12 0.87 -0.03 1.25 -1.07 0.00 0.00 179.97 181.12 2iqf h LEU 444 N 0.98 -0.12 -0.66 3.04 5.85 -1.04 0.10 115.31 123.46 2iqf h LEU 444 Ca 0.23 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2iqf h LEU 444 Cb 0.24 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 2iqf h LEU 444 CO -0.02 -0.04 0.38 0.45 -0.34 0.00 0.00 178.44 178.87 2iqf h HIS 445 N 0.02 0.69 -0.14 1.25 3.86 -0.97 -1.72 115.15 118.14 2iqf h HIS 445 Ca 0.08 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2iqf h HIS 445 Cb 0.11 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.37 2iqf h HIS 445 CO -0.18 0.34 -0.14 0.22 0.86 0.00 0.00 177.93 179.03 2iqf h ASP 446 N 0.70 0.37 -0.30 2.45 3.58 -1.21 -0.00 116.42 122.00 2iqf h ASP 446 Ca 0.29 -0.48 0.06 0.00 0.42 0.00 0.00 57.03 57.32 2iqf h ASP 446 Cb 0.16 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.05 2iqf h ASP 446 CO -0.17 0.78 -0.03 0.74 -2.88 0.00 0.00 179.24 177.68 2iqf h THR 447 N -0.03 0.74 -0.23 2.25 2.02 -0.55 -0.64 112.91 116.47 2iqf h THR 447 Ca 0.02 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 2iqf h THR 447 Cb 0.67 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 2iqf h THR 447 CO 0.04 0.01 0.04 0.40 0.37 0.00 0.00 175.52 176.37 2iqf h ILE 448 N 0.05 1.23 -0.95 3.11 2.04 -1.32 -2.54 117.51 119.13 2iqf h ILE 448 Ca 0.15 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2iqf h ILE 448 Cb 0.21 1.27 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 2iqf h ILE 448 CO -0.28 0.24 0.60 1.23 0.00 0.00 0.00 178.15 179.94 2iqf h GLY 449 N 0.19 1.36 0.99 5.37 0.00 -0.79 0.23 103.07 110.42 2iqf h GLY 449 Ca 0.07 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2iqf h GLY 449 CO 0.00 0.53 0.22 -2.09 0.00 0.00 0.00 176.54 175.20 2iqf h GLU 450 N 1.30 0.47 0.24 4.80 4.22 -1.08 -1.73 114.58 122.80 2iqf h GLU 450 Ca 0.34 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.74 2iqf h GLU 450 Cb -0.10 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2iqf h GLU 450 CO -0.07 0.33 -0.12 1.03 -2.18 0.00 0.00 179.01 178.01 2iqf h SER 451 N 0.46 -0.28 0.17 1.04 0.87 -0.94 -3.05 113.55 111.82 2iqf h SER 451 Ca 0.13 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.66 2iqf h SER 451 Cb -0.02 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 2iqf h SER 451 CO -0.03 -0.18 -0.09 -0.07 -0.53 0.00 0.00 176.83 175.93 2iqf h LEU 452 N -0.34 0.00 -1.19 2.23 3.38 -0.44 -2.12 115.31 116.83 2iqf h LEU 452 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iqf h LEU 452 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2iqf h LEU 452 CO 0.06 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.67 2iqf h ALA 453 N 1.91 1.00 0.00 1.53 0.00 -1.20 -1.79 119.26 120.71 2iqf h ALA 453 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2iqf h ALA 453 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2iqf h ALA 453 CO 0.01 0.00 -0.13 0.72 0.00 0.00 0.00 179.25 179.86 2iqf n HIS 454 N -2.43 0.39 -2.42 0.00 8.25 -0.80 -4.87 115.22 113.34 2iqf n HIS 454 Ca 0.01 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 2iqf n HIS 454 Cb 0.17 -0.64 -0.03 0.00 1.12 0.00 0.00 29.99 30.61 2iqf n HIS 454 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2iqf s VAL 455 N -3.05 4.06 -2.44 1.59 1.01 -0.68 -4.64 120.40 116.25 2iqf s VAL 455 Ca 0.12 1.47 0.25 0.00 0.00 0.00 0.00 61.98 63.82 2iqf s VAL 455 Cb 0.16 -3.94 0.27 0.00 0.00 0.00 0.00 36.38 32.86 2iqf s VAL 455 CO 0.59 0.10 1.42 0.35 0.00 0.00 0.00 175.10 177.56 2iqf n THR 456 N 4.02 0.00 -3.98 3.92 -2.24 -1.26 -4.80 114.28 109.94 2iqf n THR 456 Ca 0.09 -0.31 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 2iqf n THR 456 Cb 0.46 0.97 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 2iqf n THR 456 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2iqf s HIS 457 N -2.19 3.40 0.40 4.78 3.76 -1.26 -4.99 115.29 119.19 2iqf s HIS 457 Ca 0.28 -2.32 0.08 0.00 -0.15 0.00 0.00 55.06 52.96 2iqf s HIS 457 Cb 0.20 -2.32 0.83 0.00 1.11 0.00 0.00 32.58 32.40 2iqf s HIS 457 CO 0.40 -0.88 2.00 -0.22 -0.85 0.00 0.00 174.74 175.20 2iqf h LYS 458 N 7.85 0.43 -0.82 1.40 3.64 -2.00 -0.86 116.57 126.19 2iqf h LYS 458 Ca -0.16 -0.05 0.16 0.00 -1.27 0.00 0.00 60.65 59.33 2iqf h LYS 458 Cb 1.04 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.68 2iqf h LYS 458 CO 0.52 0.37 0.37 0.93 -2.27 0.00 0.00 179.45 179.38 2iqf h GLU 459 N 0.43 0.49 -0.26 1.90 3.07 -1.99 0.52 114.58 118.74 2iqf h GLU 459 Ca 0.11 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.89 2iqf h GLU 459 Cb 0.11 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2iqf h GLU 459 CO -0.01 0.33 -0.03 0.82 -1.40 0.00 0.00 179.01 178.71 2iqf h ILE 460 N 0.51 1.27 -0.30 3.13 2.04 -1.56 -2.06 117.51 120.54 2iqf h ILE 460 Ca 0.46 -1.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 2iqf h ILE 460 Cb 0.73 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2iqf h ILE 460 CO -0.41 0.31 0.17 0.58 0.00 0.00 0.00 178.15 178.80 2iqf h VAL 461 N 0.24 1.13 -0.46 1.67 2.07 -1.26 -1.76 116.25 117.88 2iqf h VAL 461 Ca 0.07 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2iqf h VAL 461 Cb 0.48 0.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2iqf h VAL 461 CO 0.02 0.13 0.22 0.44 0.02 0.00 0.00 177.57 178.39 2iqf h ASP 462 N 0.37 0.30 -0.86 0.57 3.32 -0.90 0.08 116.42 119.30 2iqf h ASP 462 Ca 0.11 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2iqf h ASP 462 Cb 0.06 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 2iqf h ASP 462 CO -0.02 0.21 0.46 0.50 -1.72 0.00 0.00 179.24 178.67 2iqf h LYS 463 N 0.43 1.21 -0.33 3.56 3.64 -1.22 -1.24 116.57 122.61 2iqf h LYS 463 Ca 0.21 -0.15 -0.13 0.00 -1.27 0.00 0.00 60.65 59.30 2iqf h LYS 463 Cb 0.14 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2iqf h LYS 463 CO -0.16 0.90 -0.32 0.37 -2.27 0.00 0.00 179.45 177.97 2iqf h GLN 464 N 1.21 0.80 -0.80 1.90 5.75 -0.68 -2.57 115.11 120.72 2iqf h GLN 464 Ca 0.30 -0.42 0.04 0.00 -0.15 0.00 0.00 58.65 58.43 2iqf h GLN 464 Cb 0.05 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 28.56 2iqf h GLN 464 CO -0.05 1.05 0.50 -0.07 -2.65 0.00 0.00 178.83 177.61 2iqf h LEU 465 N 0.58 0.81 -0.91 -2.39 3.38 -0.70 -1.81 115.31 114.27 2iqf h LEU 465 Ca 0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.14 2iqf h LEU 465 Cb 0.90 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 2iqf h LEU 465 CO 0.08 0.55 0.54 -0.33 0.09 0.00 0.00 178.44 179.37 2iqf h GLU 466 N 0.95 0.84 -0.33 1.13 4.39 -1.09 -0.90 114.58 119.58 2iqf h GLU 466 Ca 0.33 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 2iqf h GLU 466 Cb 0.07 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2iqf h GLU 466 CO -0.13 0.56 -0.01 0.45 -1.16 0.00 0.00 179.01 178.71 2iqf h HIS 467 N 0.86 0.64 -0.84 4.33 3.86 -0.94 -2.48 115.15 120.59 2iqf h HIS 467 Ca 0.45 -0.11 0.06 0.00 -1.16 0.00 0.00 60.37 59.60 2iqf h HIS 467 Cb 0.45 -0.17 -0.06 0.00 1.06 0.00 0.00 27.41 28.70 2iqf h HIS 467 CO -0.04 0.71 0.52 0.74 0.86 0.00 0.00 177.93 180.73 2iqf h PHE 468 N 0.39 0.96 -0.92 2.45 0.05 -1.05 -2.79 116.94 116.04 2iqf h PHE 468 Ca 0.09 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.90 2iqf h PHE 468 Cb 0.46 -0.31 -0.04 0.00 2.00 0.00 0.00 35.95 38.06 2iqf h PHE 468 CO 0.04 0.49 0.54 -0.22 -0.18 0.00 0.00 178.31 178.98 2iqf h LYS 469 N 0.96 1.26 0.00 1.51 3.64 -0.92 -1.00 116.57 122.02 2iqf h LYS 469 Ca 0.36 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.55 2iqf h LYS 469 Cb 0.16 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2iqf h LYS 469 CO -0.17 0.90 -0.34 0.87 -2.27 0.00 0.00 179.45 178.44 2iqf h LYS 470 N 1.28 0.00 0.05 1.90 1.57 -1.19 -2.92 116.57 117.26 2iqf h LYS 470 Ca 0.33 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2iqf h LYS 470 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2iqf h LYS 470 CO -0.06 0.34 -0.03 0.00 -0.57 0.00 0.00 179.45 179.14 2iqf h ALA 471 N 1.66 -0.07 -1.72 3.86 0.00 -1.20 -3.46 119.26 118.33 2iqf h ALA 471 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2iqf h ALA 471 Cb 0.63 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.22 2iqf h ALA 471 CO 0.04 -0.21 0.12 0.34 0.00 0.00 0.00 179.25 179.54 2iqf s ASP 472 N -5.74 -0.81 0.47 0.00 -1.08 -0.42 -4.17 116.67 104.92 2iqf s ASP 472 Ca -0.15 1.23 0.13 0.00 -0.52 0.00 0.00 52.55 53.23 2iqf s ASP 472 Cb 0.00 1.58 1.09 0.00 -1.46 0.00 0.00 42.92 44.14 2iqf s ASP 472 CO 0.61 -0.18 2.08 -0.65 0.52 0.00 0.00 175.17 177.54 2iqf h PRO 473 N 7.04 0.26 -0.19 4.34 0.11 -1.77 -1.65 132.00 140.14 2iqf h PRO 473 Ca -0.25 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.76 2iqf h PRO 473 Cb 1.17 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2iqf h PRO 473 CO 0.14 0.17 -0.27 0.87 -0.21 0.00 0.00 178.00 178.71 2iqf h LYS 474 N 0.27 0.36 0.46 1.05 1.57 -1.91 -1.47 116.57 116.89 2iqf h LYS 474 Ca 0.12 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2iqf h LYS 474 Cb 0.14 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2iqf h LYS 474 CO -0.02 0.61 -0.22 -0.92 -0.57 0.00 0.00 179.45 178.32 2iqf h TYR 475 N 0.32 -0.58 -0.44 -1.35 -0.00 -1.60 0.11 116.97 113.43 2iqf h TYR 475 Ca 0.05 -0.01 0.02 0.00 -0.00 0.00 0.00 58.73 58.78 2iqf h TYR 475 Cb 0.65 0.19 -0.03 0.00 -0.00 0.00 0.00 36.73 37.54 2iqf h TYR 475 CO 0.02 -0.36 0.27 0.00 -0.00 0.00 0.00 178.16 178.09 2iqf h ALA 476 N -0.07 0.56 -0.56 1.82 0.00 -1.36 -1.07 119.26 118.59 2iqf h ALA 476 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2iqf h ALA 476 Cb 0.48 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2iqf h ALA 476 CO 0.10 -0.03 0.36 0.93 0.00 0.00 0.00 179.25 180.60 2iqf h GLU 477 N 0.55 0.74 -0.26 0.00 5.08 -1.19 -0.47 114.58 119.04 2iqf h GLU 477 Ca 0.17 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2iqf h GLU 477 Cb -0.01 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2iqf h GLU 477 CO -0.07 0.51 0.06 0.78 -1.00 0.00 0.00 179.01 179.29 2iqf h GLY 478 N 0.75 0.30 0.90 -3.84 0.00 -0.40 -2.20 103.07 98.59 2iqf h GLY 478 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.45 2iqf h GLY 478 CO -0.04 0.01 -0.01 -2.08 0.00 0.00 0.00 176.54 174.42 2iqf h VAL 479 N 0.17 1.26 -0.43 4.60 2.07 -1.05 -2.65 116.25 120.22 2iqf h VAL 479 Ca 0.12 -0.98 0.02 0.00 0.82 0.00 0.00 66.70 66.67 2iqf h VAL 479 Cb 0.10 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 2iqf h VAL 479 CO -0.14 0.32 0.25 0.50 0.02 0.00 0.00 177.57 178.52 2iqf h LYS 480 N 0.39 0.49 -0.53 1.57 3.64 -0.94 0.36 116.57 121.56 2iqf h LYS 480 Ca 0.09 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2iqf h LYS 480 Cb 0.46 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2iqf h LYS 480 CO 0.02 0.33 0.26 -0.22 -2.27 0.00 0.00 179.45 177.56 2iqf h LYS 481 N 0.51 0.76 -0.67 1.90 3.64 -1.37 0.30 116.57 121.64 2iqf h LYS 481 Ca 0.17 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 2iqf h LYS 481 Cb 0.02 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2iqf h LYS 481 CO -0.08 0.63 0.12 0.00 -2.27 0.00 0.00 179.45 177.84 2iqf h ALA 482 N 1.10 0.89 0.19 5.00 0.00 -0.99 -1.48 119.26 123.97 2iqf h ALA 482 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2iqf h ALA 482 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2iqf h ALA 482 CO -0.02 0.65 -0.23 1.25 0.00 0.00 0.00 179.25 180.89 2iqf h LEU 483 N 1.03 -0.64 -0.83 0.00 5.85 0.06 -0.80 115.31 119.97 2iqf h LEU 483 Ca 0.20 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.08 2iqf h LEU 483 Cb 0.43 0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 2iqf h LEU 483 CO 0.01 -0.33 0.48 -0.33 -0.34 0.00 0.00 178.44 177.93 2iqf h GLU 484 N -0.47 0.80 -0.41 1.25 5.08 -0.82 0.89 114.58 120.90 2iqf h GLU 484 Ca 0.01 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 2iqf h GLU 484 Cb 0.46 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2iqf h GLU 484 CO -0.08 0.53 -0.19 1.57 -1.00 0.00 0.00 179.01 179.83 2iqf h LYS 485 N 0.82 0.80 0.00 2.33 2.10 -1.06 -2.05 116.57 119.51 2iqf h LYS 485 Ca 0.40 -0.31 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 2iqf h LYS 485 Cb 0.34 -0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.62 2iqf h LYS 485 CO -0.24 0.93 -0.12 0.45 -2.00 0.00 0.00 179.45 178.48 2iqf h HIS 486 N 0.70 0.00 0.01 0.07 3.86 -0.42 -2.94 115.15 116.44 2iqf h HIS 486 Ca 0.10 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 59.12 2iqf h HIS 486 Cb 0.70 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.15 2iqf h HIS 486 CO 0.04 0.12 -0.90 1.96 0.86 0.00 0.00 177.93 180.01 2iqf h GLN 487 N 0.00 0.06 -0.02 2.45 4.20 -0.64 -3.24 115.11 117.92 2iqf h GLN 487 Ca -0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2iqf h GLN 487 Cb 0.92 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.73 2iqf h GLN 487 CO 0.02 0.91 0.00 1.63 -0.67 0.00 0.00 178.83 180.72 2iqf n LYS 488 N -3.54 1.18 0.00 1.46 5.02 -0.79 -3.08 118.16 118.41 2iqf n LYS 488 Ca -0.02 -0.26 0.10 0.00 -2.02 0.00 0.00 58.31 56.11 2iqf n LYS 488 Cb 0.84 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 34.37 2iqf n LYS 488 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2iqf n MET 489 N -0.63 1.02 -2.70 1.97 1.56 -1.12 -4.71 117.12 112.51 2iqf n MET 489 Ca 0.20 -0.69 -0.07 0.00 -0.27 0.00 0.00 57.70 56.87 2iqf n MET 489 Cb 0.16 -1.45 0.07 0.00 2.15 0.00 0.00 33.22 34.15 2iqf n MET 489 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2iqf n MET 490 N -0.45 1.25 0.00 2.12 0.00 -1.18 -5.12 117.12 113.75 2iqf n MET 490 Ca 0.07 -2.72 0.00 0.00 0.00 0.00 0.00 57.70 55.05 2iqf n MET 490 Cb 0.41 -0.82 0.00 0.00 0.00 0.00 0.00 33.22 32.81 2iqf n MET 490 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60