#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 3.71 -0.29 3.17 -7.23 -1.26 -5.10 120.40 113.40 2iqf s VAL 2 Ca 0.00 -0.51 -0.04 0.00 -1.81 0.00 0.00 61.98 59.63 2iqf s VAL 2 Cb 0.00 -2.53 0.03 0.00 0.56 0.00 0.00 36.38 34.45 2iqf s VAL 2 CO 0.00 0.58 0.02 0.20 -0.31 0.00 0.00 175.10 175.59 2iqf s ASN 3 N -0.88 4.86 0.01 4.85 -0.87 -1.26 -5.08 114.94 116.57 2iqf s ASN 3 Ca 0.13 -1.01 0.01 0.00 -1.57 0.00 0.00 52.86 50.42 2iqf s ASN 3 Cb -0.11 -1.77 -0.01 0.00 -0.02 0.00 0.00 41.25 39.35 2iqf s ASN 3 CO 0.02 -0.22 -0.04 -0.75 -2.57 0.00 0.00 177.10 173.54 2iqf s LYS 4 N 1.36 0.33 -0.07 -0.60 2.20 -1.26 -5.12 119.74 116.57 2iqf s LYS 4 Ca -0.01 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 2iqf s LYS 4 Cb -0.18 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.84 2iqf s LYS 4 CO -0.00 0.07 1.34 -0.51 -0.36 0.00 0.00 175.35 175.88 2iqf s ASP 5 N -0.39 6.91 -0.01 1.43 1.01 -1.26 -5.01 116.67 119.35 2iqf s ASP 5 Ca -0.01 1.92 -0.04 0.00 0.71 0.00 0.00 52.55 55.13 2iqf s ASP 5 Cb -0.03 -2.55 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 2iqf s ASP 5 CO -0.00 -0.73 0.08 0.68 0.21 0.00 0.00 175.17 175.41 2iqf s VAL 6 N 2.92 0.06 -0.09 -1.27 -7.23 -1.26 -5.12 120.40 108.41 2iqf s VAL 6 Ca 0.60 -0.50 -0.30 0.00 -1.81 0.00 0.00 61.98 59.98 2iqf s VAL 6 Cb -0.27 -0.28 -0.03 0.00 0.56 0.00 0.00 36.38 36.36 2iqf s VAL 6 CO 0.22 -0.27 1.28 -0.54 -0.31 0.00 0.00 175.10 175.47 2iqf s LYS 7 N -0.88 4.29 0.06 4.82 1.02 -1.26 -4.98 119.74 122.80 2iqf s LYS 7 Ca -0.10 1.74 -0.25 0.00 0.02 0.00 0.00 55.97 57.38 2iqf s LYS 7 Cb -0.06 -3.66 -0.06 0.00 -0.52 0.00 0.00 37.83 33.53 2iqf s LYS 7 CO 0.00 -0.59 0.78 -1.14 -0.92 0.00 0.00 175.35 173.49 2iqf s GLN 8 N 2.83 4.52 0.19 1.68 0.74 -1.26 -5.03 119.66 123.32 2iqf s GLN 8 Ca 0.57 1.10 -0.02 0.00 0.05 0.00 0.00 55.36 57.07 2iqf s GLN 8 Cb -0.25 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2iqf s GLN 8 CO 0.20 0.31 0.15 0.95 -0.55 0.00 0.00 175.29 176.35 2iqf s THR 9 N -0.18 0.03 1.06 -0.34 -4.23 -1.26 -1.63 115.64 109.09 2iqf s THR 9 Ca 0.39 -1.91 -0.15 0.00 -1.18 0.00 0.00 61.69 58.84 2iqf s THR 9 Cb -0.21 -2.35 0.22 0.00 1.34 0.00 0.00 72.50 71.50 2iqf s THR 9 CO 0.24 -0.12 1.11 0.42 -0.54 0.00 0.00 174.62 175.73 2iqf s THR 10 N -4.12 1.88 -0.76 3.99 -4.23 0.50 -4.74 115.64 108.16 2iqf s THR 10 Ca 0.33 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.98 2iqf s THR 10 Cb 0.06 -2.52 0.13 0.00 1.34 0.00 0.00 72.50 71.51 2iqf s THR 10 CO 0.09 0.00 1.41 0.00 -0.54 0.00 0.00 174.62 175.58 2iqf n ALA 11 N -4.34 1.36 0.07 3.99 0.00 -1.26 -1.70 120.51 118.64 2iqf n ALA 11 Ca 0.08 0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.64 2iqf n ALA 11 Cb 0.58 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 19.00 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 -1.78 0.46 -0.76 0.00 3.01 -1.26 -4.98 117.46 112.16 2iqf n PHE 12 Ca 0.01 -0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2iqf n PHE 12 Cb 0.11 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.02 0.72 3.73 1.37 0.00 -0.69 -5.04 105.19 106.31 2iqf n GLY 13 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.57 3.34 0.29 4.61 0.00 -1.26 -4.79 121.76 121.37 2iqf s ALA 14 Ca 0.00 0.76 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 2iqf s ALA 14 Cb 0.00 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 2iqf s ALA 14 CO 0.00 -0.21 1.52 -2.30 0.00 0.00 0.00 175.76 174.77 2iqf n PRO 15 N 2.73 2.47 -2.67 0.00 -0.02 -1.26 -0.37 135.00 135.88 2iqf n PRO 15 Ca 0.04 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.97 2iqf n PRO 15 Cb 0.47 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 -0.16 4.72 -0.45 -1.45 1.01 -0.64 -4.75 120.40 118.68 2iqf s VAL 16 Ca 0.64 2.02 0.12 0.00 0.00 0.00 0.00 61.98 64.76 2iqf s VAL 16 Cb -0.54 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.40 2iqf s VAL 16 CO 0.51 -0.07 0.46 -2.67 0.00 0.00 0.00 175.10 173.33 2iqf n TRP 17 N 5.53 0.00 -3.31 5.22 4.27 -1.26 -4.86 117.44 123.03 2iqf n TRP 17 Ca 0.10 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.64 2iqf n TRP 17 Cb 0.48 -0.06 -0.06 0.00 -1.36 0.00 0.00 31.31 30.31 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 -2.38 -0.05 -0.14 -0.67 -1.08 -1.26 -5.00 116.67 106.08 2iqf s ASP 18 Ca 0.03 0.25 0.17 0.00 -0.52 0.00 0.00 52.55 52.47 2iqf s ASP 18 Cb 0.09 1.31 0.72 0.00 -1.46 0.00 0.00 42.92 43.58 2iqf s ASP 18 CO 0.49 -0.30 1.63 -0.67 0.52 0.00 0.00 175.17 176.84 2iqf n ASP 19 N 5.38 4.86 0.00 -0.34 2.03 -1.26 -4.50 116.55 122.72 2iqf n ASP 19 Ca -0.02 -2.55 0.00 0.00 0.52 0.00 0.00 54.79 52.74 2iqf n ASP 19 Cb 0.50 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 0.97 2.49 -3.80 1.67 3.02 -1.26 -5.04 115.26 113.31 2iqf n ASN 20 Ca 0.25 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.63 2iqf n ASN 20 Cb 0.94 0.43 -0.16 0.00 -0.61 0.00 0.00 39.78 40.38 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 -1.27 0.44 1.16 6.41 0.01 -1.26 -5.16 114.94 115.26 2iqf s ASN 21 Ca 0.00 -0.01 -0.18 0.00 -0.71 0.00 0.00 52.86 51.95 2iqf s ASN 21 Cb 0.00 -0.20 0.27 0.00 0.41 0.00 0.00 41.25 41.73 2iqf s ASN 21 CO 0.00 -0.11 1.14 0.68 -1.51 0.00 0.00 177.10 177.30 2iqf s VAL 22 N 1.11 1.68 -0.12 1.60 -7.23 -1.26 -4.87 120.40 111.30 2iqf s VAL 22 Ca -0.09 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.90 2iqf s VAL 22 Cb -0.13 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.19 2iqf s VAL 22 CO -0.02 0.00 0.48 -0.63 -0.31 0.00 0.00 175.10 174.62 2iqf s ILE 23 N -3.16 5.18 0.10 -0.62 -1.09 -1.26 -5.04 121.20 115.32 2iqf s ILE 23 Ca 0.71 0.96 0.03 0.00 -2.23 0.00 0.00 60.65 60.12 2iqf s ILE 23 Cb -0.09 -3.82 -0.04 0.00 -1.58 0.00 0.00 42.46 36.93 2iqf s ILE 23 CO 0.55 0.31 -0.09 0.42 -1.23 0.00 0.00 174.94 174.91 2iqf s THR 24 N 0.71 0.87 -0.91 2.92 -4.23 -1.26 -0.99 115.64 112.76 2iqf s THR 24 Ca 0.26 -1.80 -0.20 0.00 -1.18 0.00 0.00 61.69 58.76 2iqf s THR 24 Cb -0.15 -1.53 0.10 0.00 1.34 0.00 0.00 72.50 72.26 2iqf s THR 24 CO 0.10 -0.70 1.17 0.00 -0.54 0.00 0.00 174.62 174.66 2iqf s ALA 25 N -2.99 3.18 0.00 3.99 0.00 -1.08 -4.83 121.76 120.03 2iqf s ALA 25 Ca 0.09 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 49.54 2iqf s ALA 25 Cb 0.01 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 19.00 2iqf s ALA 25 CO -0.02 -3.09 0.00 0.41 0.00 0.00 0.00 175.76 173.06 2iqf n GLY 26 N 5.76 -2.40 0.32 0.00 0.00 -1.26 -3.19 105.19 104.42 2iqf n GLY 26 Ca 0.22 -1.47 0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.01 1.61 0.13 -2.00 -2.04 132.00 129.68 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 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 2iqf n ARG 28 N -3.07 2.41 -2.22 0.86 1.74 -1.26 -5.07 116.66 110.04 2iqf n ARG 28 Ca -0.02 -1.89 -0.26 0.00 -0.77 0.00 0.00 57.85 54.90 2iqf n ARG 28 Cb 0.13 -1.18 0.10 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 -1.66 1.72 1.03 -0.13 0.00 -0.77 -5.05 107.32 102.47 2iqf s GLY 29 Ca 0.12 -1.14 -0.12 0.00 0.00 0.00 0.00 44.72 43.58 2iqf s GLY 29 CO 0.01 -0.62 1.07 2.56 0.00 0.00 0.00 173.10 176.12 2iqf s PRO 30 N -5.37 0.14 0.01 2.90 0.04 -1.26 -4.50 135.00 126.97 2iqf s PRO 30 Ca 0.64 0.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.32 2iqf s PRO 30 Cb -0.08 -1.68 -0.06 0.00 0.04 0.00 0.00 34.50 32.72 2iqf s PRO 30 CO 0.46 -3.01 0.57 0.08 0.04 0.00 0.00 177.00 175.14 2iqf s VAL 31 N -2.72 4.88 0.04 -0.36 1.01 -1.26 -2.64 120.40 119.35 2iqf s VAL 31 Ca 0.66 1.19 -0.18 0.00 0.00 0.00 0.00 61.98 63.65 2iqf s VAL 31 Cb -0.21 -3.90 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 2iqf s VAL 31 CO 0.60 0.47 0.53 -0.76 0.00 0.00 0.00 175.10 175.94 2iqf s LEU 32 N -0.49 4.50 0.58 3.92 1.02 -0.16 -4.98 118.68 123.06 2iqf s LEU 32 Ca 0.30 1.17 0.28 0.00 0.02 0.00 0.00 54.13 55.89 2iqf s LEU 32 Cb -0.18 -2.83 1.61 0.00 0.02 0.00 0.00 46.19 44.81 2iqf s LEU 32 CO 0.17 0.26 2.09 0.25 0.02 0.00 0.00 176.35 179.13 2iqf h LEU 33 N 4.78 0.00 0.00 1.79 5.85 -1.97 -1.93 115.31 123.84 2iqf h LEU 33 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 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 0.64 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.74 2iqf n GLN 34 N -3.89 0.80 -1.60 1.25 10.64 -1.26 -4.36 117.38 118.95 2iqf n GLN 34 Ca 0.02 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.79 2iqf n GLN 34 Cb 0.35 -1.09 -0.04 0.00 -0.86 0.00 0.00 30.24 28.60 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 -0.59 3.15 0.07 2.61 7.64 -0.73 -4.74 113.62 121.03 2iqf n SER 35 Ca 0.03 -2.74 -0.05 0.00 1.01 0.00 0.00 58.87 57.12 2iqf n SER 35 Cb 0.02 -1.42 -0.09 0.00 -1.01 0.00 0.00 64.21 61.71 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 4.84 1.40 -0.46 0.44 1.35 -1.89 -1.14 112.91 117.44 2iqf h THR 36 Ca 0.41 -3.05 -0.09 0.00 -0.55 0.00 0.00 66.41 63.13 2iqf h THR 36 Cb 0.74 2.68 -0.01 0.00 -1.73 0.00 0.00 68.15 69.83 2iqf h THR 36 CO 1.74 0.80 -0.08 -0.25 -0.25 0.00 0.00 175.52 177.48 2iqf h TRP 37 N 0.00 0.97 -0.49 4.73 -0.00 -1.97 -1.86 115.95 117.33 2iqf h TRP 37 Ca -0.04 -0.20 0.07 0.00 -0.00 0.00 0.00 58.89 58.72 2iqf h TRP 37 Cb 1.71 -0.24 -0.06 0.00 -0.00 0.00 0.00 29.16 30.57 2iqf h TRP 37 CO 0.00 0.95 0.14 0.35 -0.00 0.00 0.00 178.44 179.88 2iqf h PHE 38 N 0.71 0.24 -0.58 2.65 3.57 -1.88 0.24 116.94 121.89 2iqf h PHE 38 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2iqf h PHE 38 Cb 0.61 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 2iqf h PHE 38 CO 0.05 0.05 0.33 -0.07 -2.23 0.00 0.00 178.31 176.44 2iqf h LEU 39 N 0.30 0.72 -0.23 0.59 3.38 -1.05 0.45 115.31 119.47 2iqf h LEU 39 Ca 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2iqf h LEU 39 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2iqf h LEU 39 CO -0.27 0.59 -0.05 -0.08 0.09 0.00 0.00 178.44 178.72 2iqf h GLU 40 N 0.79 0.44 -0.34 1.13 4.81 -0.87 -0.26 114.58 120.27 2iqf h GLU 40 Ca 0.21 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2iqf h GLU 40 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2iqf h GLU 40 CO -0.04 0.67 0.10 -0.22 -0.73 0.00 0.00 179.01 178.79 2iqf h LYS 41 N 0.17 0.54 -0.23 1.92 3.64 -0.29 -1.10 116.57 121.22 2iqf h LYS 41 Ca 0.06 -0.12 -0.20 0.00 -1.27 0.00 0.00 60.65 59.11 2iqf h LYS 41 Cb 0.50 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2iqf h LYS 41 CO 0.02 0.58 -0.66 -0.07 -2.27 0.00 0.00 179.45 177.05 2iqf h LEU 42 N 0.40 0.97 -1.36 5.20 -0.00 -0.90 -1.59 115.31 118.03 2iqf h LEU 42 Ca 0.11 -0.57 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 2iqf h LEU 42 Cb 0.27 -0.28 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 2iqf h LEU 42 CO -0.00 1.38 0.20 0.00 -0.00 0.00 0.00 178.44 180.01 2iqf h ALA 43 N 0.63 1.50 -0.16 1.53 0.00 -0.98 0.15 119.26 121.92 2iqf h ALA 43 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 2iqf h ALA 43 Cb 1.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2iqf h ALA 43 CO 0.14 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 2iqf h ALA 44 N 1.58 0.23 -0.74 0.00 0.00 -1.15 -3.04 119.26 116.14 2iqf h ALA 44 Ca 0.16 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.89 2iqf h ALA 44 Cb 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 2iqf h ALA 44 CO -0.02 0.01 0.42 0.35 0.00 0.00 0.00 179.25 180.01 2iqf h PHE 45 N 0.02 0.77 0.00 0.00 3.57 -1.00 -1.72 116.94 118.58 2iqf h PHE 45 Ca 0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.57 2iqf h PHE 45 Cb 0.51 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2iqf h PHE 45 CO 0.06 0.35 0.00 -0.44 -2.23 0.00 0.00 178.31 176.05 2iqf h ASP 46 N 0.75 0.00 -0.03 0.41 3.45 -0.64 -2.43 116.42 117.93 2iqf h ASP 46 Ca 0.34 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.80 2iqf h ASP 46 Cb 0.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 2iqf h ASP 46 CO -0.20 0.00 -0.06 0.54 -1.57 0.00 0.00 179.24 177.95 2iqf n ARG 47 N -2.38 1.47 0.03 3.56 1.74 -0.67 -4.77 116.66 115.65 2iqf n ARG 47 Ca -0.00 -2.69 -0.04 0.00 -0.77 0.00 0.00 57.85 54.35 2iqf n ARG 47 Cb 0.13 -1.55 0.19 0.00 -1.02 0.00 0.00 32.46 30.21 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 0.29 0.43 -6.31 5.56 5.08 -1.19 -3.44 114.58 115.00 2iqf h GLU 48 Ca 0.00 -0.18 -0.55 0.00 -1.00 0.00 0.00 59.36 57.63 2iqf h GLU 48 Cb 1.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.25 2iqf h GLU 48 CO 0.03 0.71 0.07 1.03 -1.00 0.00 0.00 179.01 179.84 2iqf s ARG 49 N -4.34 4.39 0.34 2.33 1.81 -1.26 -5.07 118.95 117.13 2iqf s ARG 49 Ca -0.06 0.93 0.09 0.00 -1.72 0.00 0.00 55.73 54.96 2iqf s ARG 49 Cb 0.13 -3.28 -0.05 0.00 -0.45 0.00 0.00 34.95 31.30 2iqf s ARG 49 CO 0.79 0.51 0.08 0.96 -0.68 0.00 0.00 175.30 176.96 2iqf s ILE 50 N -0.78 2.88 0.23 1.52 -4.36 -1.26 -5.08 121.20 114.35 2iqf s ILE 50 Ca 0.33 -1.82 -0.32 0.00 -0.26 0.00 0.00 60.65 58.58 2iqf s ILE 50 Cb -0.21 -2.90 -0.13 0.00 1.25 0.00 0.00 42.46 40.47 2iqf s ILE 50 CO 0.22 -0.20 1.47 -2.65 0.24 0.00 0.00 174.94 174.01 2iqf n PRO 51 N -1.05 2.13 -1.22 0.37 -0.02 -1.26 -4.97 135.00 128.97 2iqf n PRO 51 Ca -0.04 0.76 -0.30 0.00 -2.02 0.00 0.00 63.50 61.90 2iqf n PRO 51 Cb 0.62 -2.46 0.12 0.00 -0.02 0.00 0.00 33.50 31.76 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 -0.10 1.72 0.35 -0.52 -1.05 -1.26 -4.95 118.70 112.89 2iqf s GLU 52 Ca 0.70 0.99 -0.28 0.00 -0.15 0.00 0.00 54.97 56.23 2iqf s GLU 52 Cb -0.64 -1.85 -0.11 0.00 -0.44 0.00 0.00 34.13 31.09 2iqf s GLU 52 CO 0.47 -1.97 1.48 0.54 0.95 0.00 0.00 175.26 176.73 2iqf n ARG 53 N -3.72 2.59 0.23 -4.83 1.74 -1.26 -4.87 116.66 106.54 2iqf n ARG 53 Ca 0.08 0.91 0.06 0.00 -0.77 0.00 0.00 57.85 58.13 2iqf n ARG 53 Cb 0.54 -2.63 0.53 0.00 -1.02 0.00 0.00 32.46 29.88 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 2.96 1.10 -3.97 1.55 3.04 -1.98 -3.37 116.25 115.59 2iqf h VAL 54 Ca -0.49 -0.53 -0.23 0.00 -1.01 0.00 0.00 66.70 64.43 2iqf h VAL 54 Cb 1.25 1.29 -0.15 0.00 -2.01 0.00 0.00 31.29 31.66 2iqf h VAL 54 CO 0.67 0.15 -0.67 0.68 -1.01 0.00 0.00 177.57 177.39 2iqf s VAL 55 N -4.70 0.51 -1.54 1.51 -7.23 -1.26 -4.88 120.40 102.81 2iqf s VAL 55 Ca -0.04 -1.94 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 2iqf s VAL 55 Cb 0.16 -1.94 0.01 0.00 0.56 0.00 0.00 36.38 35.17 2iqf s VAL 55 CO 0.69 -0.62 0.63 1.41 -0.31 0.00 0.00 175.10 176.90 2iqf n HIS 56 N -0.13 -2.01 0.11 2.82 -0.00 -0.51 -4.91 115.22 110.59 2iqf n HIS 56 Ca -0.08 0.55 0.02 0.00 -0.00 0.00 0.00 57.72 58.20 2iqf n HIS 56 Cb 0.62 -4.47 0.36 0.00 -0.00 0.00 0.00 29.99 26.51 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 1.01 1.45 -2.87 -1.41 0.00 -1.73 -3.42 119.26 112.29 2iqf h ALA 57 Ca -0.53 -0.23 -0.63 0.00 0.00 0.00 0.00 54.91 53.51 2iqf h ALA 57 Cb 1.36 -0.09 -0.16 0.00 0.00 0.00 0.00 17.79 18.91 2iqf h ALA 57 CO 0.57 0.39 -0.44 0.21 0.00 0.00 0.00 179.25 179.98 2iqf s LYS 58 N -4.66 3.98 0.04 0.00 2.47 -1.26 -4.53 119.74 115.79 2iqf s LYS 58 Ca -0.05 -0.21 -0.06 0.00 -1.56 0.00 0.00 55.97 54.09 2iqf s LYS 58 Cb 0.15 -3.65 0.02 0.00 -1.46 0.00 0.00 37.83 32.90 2iqf s LYS 58 CO 0.74 -0.18 0.28 0.41 0.16 0.00 0.00 175.35 176.76 2iqf n GLY 59 N 4.87 1.05 3.29 5.54 0.00 -1.26 -1.84 105.19 116.84 2iqf n GLY 59 Ca -0.13 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.66 -0.36 0.11 1.61 0.01 0.37 -4.96 113.70 108.81 2iqf s SER 60 Ca 0.06 0.58 0.04 0.00 1.31 0.00 0.00 55.95 57.94 2iqf s SER 60 Cb -0.01 0.65 -0.04 0.00 0.21 0.00 0.00 66.02 66.83 2iqf s SER 60 CO 0.01 -0.26 -0.10 -0.83 0.41 0.00 0.00 173.24 172.48 2iqf s GLY 61 N -0.34 0.89 0.06 3.44 0.00 -1.26 -0.21 107.32 109.90 2iqf s GLY 61 Ca -0.05 -1.29 -0.21 0.00 0.00 0.00 0.00 44.72 43.18 2iqf s GLY 61 CO 0.02 -1.37 0.49 0.00 0.00 0.00 0.00 173.10 172.23 2iqf s ALA 62 N -2.84 -1.22 0.26 3.20 0.00 -0.61 -4.50 121.76 116.05 2iqf s ALA 62 Ca 0.09 0.46 -0.01 0.00 0.00 0.00 0.00 51.96 52.50 2iqf s ALA 62 Cb -0.00 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 2iqf s ALA 62 CO -0.01 -0.52 0.48 0.71 0.00 0.00 0.00 175.76 176.42 2iqf s TYR 63 N -2.64 3.48 0.00 0.00 1.51 0.26 -0.92 117.35 119.04 2iqf s TYR 63 Ca -0.04 0.42 0.00 0.00 -1.01 0.00 0.00 57.07 56.43 2iqf s TYR 63 Cb -0.00 -1.92 0.00 0.00 -0.11 0.00 0.00 41.96 39.92 2iqf s TYR 63 CO -0.03 0.26 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 2iqf n GLY 64 N -1.05 2.37 2.83 0.71 0.00 -0.27 -0.48 105.19 109.29 2iqf n GLY 64 Ca -0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 46.02 44.93 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 0.17 -0.15 2.61 2.01 0.02 -1.21 115.64 116.15 2iqf s THR 65 Ca 0.00 0.07 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 2iqf s THR 65 Cb 0.00 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2iqf s THR 65 CO 0.00 0.13 0.04 0.12 -0.69 0.00 0.00 174.62 174.22 2iqf s PHE 66 N 0.90 3.23 -0.11 4.92 5.36 0.48 -1.06 117.98 131.69 2iqf s PHE 66 Ca -0.09 0.09 0.01 0.00 -0.96 0.00 0.00 56.93 55.98 2iqf s PHE 66 Cb -0.12 -1.98 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2iqf s PHE 66 CO -0.02 0.26 -0.14 0.99 -1.46 0.00 0.00 175.22 174.86 2iqf s THR 67 N -0.08 1.44 0.09 0.12 2.01 -0.08 -0.54 115.64 118.60 2iqf s THR 67 Ca 0.06 -0.59 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 2iqf s THR 67 Cb -0.12 -1.33 -0.08 0.00 0.01 0.00 0.00 72.50 70.98 2iqf s THR 67 CO 0.01 0.43 1.47 -0.69 -0.69 0.00 0.00 174.62 175.15 2iqf s VAL 68 N 1.14 3.24 -0.03 3.82 1.01 -0.80 -0.96 120.40 127.81 2iqf s VAL 68 Ca -0.04 0.81 0.08 0.00 0.00 0.00 0.00 61.98 62.84 2iqf s VAL 68 Cb -0.14 -3.52 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 2iqf s VAL 68 CO -0.04 0.04 0.18 0.35 0.00 0.00 0.00 175.10 175.63 2iqf n THR 69 N 4.25 0.00 -4.01 3.92 -2.24 -0.13 -1.09 114.28 114.97 2iqf n THR 69 Ca 0.13 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 2iqf n THR 69 Cb 0.42 0.35 -0.11 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.52 0.40 -0.27 -0.78 -0.14 -0.98 -4.91 119.74 110.55 2iqf s LYS 70 Ca -0.03 -0.72 -0.24 0.00 -1.36 0.00 0.00 55.97 53.62 2iqf s LYS 70 Cb 0.05 0.04 -0.00 0.00 -1.68 0.00 0.00 37.83 36.24 2iqf s LYS 70 CO 0.33 -0.04 0.83 0.34 -0.76 0.00 0.00 175.35 176.05 2iqf s ASP 71 N -1.68 6.78 -0.11 2.83 2.15 -1.26 -4.82 116.67 120.56 2iqf s ASP 71 Ca -0.12 0.92 0.16 0.00 0.43 0.00 0.00 52.55 53.94 2iqf s ASP 71 Cb -0.08 -2.43 0.25 0.00 -0.30 0.00 0.00 42.92 40.36 2iqf s ASP 71 CO -0.02 -0.57 1.13 2.30 -0.17 0.00 0.00 175.17 177.84 2iqf n ILE 72 N 5.38 1.74 0.31 4.11 -5.35 -1.26 -4.80 119.36 119.49 2iqf n ILE 72 Ca 0.05 -2.06 0.21 0.00 -0.27 0.00 0.00 62.75 60.68 2iqf n ILE 72 Cb 0.48 -0.13 1.13 0.00 -1.74 0.00 0.00 39.64 39.37 2iqf n ILE 72 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 2iqf h THR 73 N 0.19 0.00 -0.02 7.28 1.35 -1.83 0.19 112.91 120.07 2iqf h THR 73 Ca 0.00 -0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.86 2iqf h THR 73 Cb 0.96 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2iqf h THR 73 CO 0.00 0.00 0.02 0.07 -0.25 0.00 0.00 175.52 175.36 2iqf h LYS 74 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.17 116.57 118.22 2iqf h LYS 74 Ca 0.00 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.31 2iqf h LYS 74 Cb 0.00 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 2iqf h LYS 74 CO 0.00 0.00 -2.29 0.66 -2.00 0.00 0.00 179.45 175.82 2iqf n TYR 75 N -4.11 0.00 -3.79 0.07 4.02 0.02 -4.80 117.16 108.56 2iqf n TYR 75 Ca -0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.74 2iqf n TYR 75 Cb 0.11 -0.93 -0.13 0.00 -0.02 0.00 0.00 39.34 38.37 2iqf n TYR 75 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2iqf s THR 76 N -2.45 -0.02 -2.12 -0.72 -1.32 -0.97 -2.68 115.64 105.36 2iqf s THR 76 Ca -0.10 0.06 0.16 0.00 -1.21 0.00 0.00 61.69 60.61 2iqf s THR 76 Cb 0.06 -0.22 0.39 0.00 -1.51 0.00 0.00 72.50 71.21 2iqf s THR 76 CO 0.77 0.03 1.39 2.29 -2.21 0.00 0.00 174.62 176.88 2iqf n LYS 77 N 3.44 1.88 -1.69 7.08 2.85 -0.36 -4.23 118.16 127.13 2iqf n LYS 77 Ca -0.17 -1.35 -0.44 0.00 -1.05 0.00 0.00 58.31 55.29 2iqf n LYS 77 Cb 0.56 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.56 2iqf n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2iqf n ALA 78 N 0.58 2.01 -0.23 0.58 0.00 -1.22 -4.74 120.51 117.49 2iqf n ALA 78 Ca 0.15 0.42 0.08 0.00 0.00 0.00 0.00 53.44 54.08 2iqf n ALA 78 Cb 0.34 -2.42 0.34 0.00 0.00 0.00 0.00 19.45 17.71 2iqf n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2iqf h LYS 79 N 6.09 0.76 -0.81 0.00 1.79 -1.94 -1.99 116.57 120.48 2iqf h LYS 79 Ca -0.44 -0.05 0.22 0.00 -2.18 0.00 0.00 60.65 58.20 2iqf h LYS 79 Cb 1.23 -0.17 -0.04 0.00 -1.58 0.00 0.00 32.23 31.67 2iqf h LYS 79 CO 0.90 0.50 0.57 0.97 -1.08 0.00 0.00 179.45 181.32 2iqf h ILE 80 N 0.78 0.62 -0.32 1.86 2.10 -1.94 -2.16 117.51 118.45 2iqf h ILE 80 Ca 0.37 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 66.28 2iqf h ILE 80 Cb 0.39 0.54 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 2iqf h ILE 80 CO -0.14 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.43 2iqf n PHE 81 N -4.34 0.42 0.48 2.19 3.72 -0.76 -4.72 117.46 114.45 2iqf n PHE 81 Ca 0.16 -0.35 0.13 0.00 -0.05 0.00 0.00 57.45 57.34 2iqf n PHE 81 Cb 0.83 -0.01 0.46 0.00 -0.94 0.00 0.00 39.48 39.81 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 2.70 0.00 -3.63 4.37 4.64 -1.26 -3.43 113.55 116.94 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 0.74 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.55 2iqf h SER 82 CO 0.00 0.00 -0.50 -0.75 -0.87 0.00 0.00 176.83 174.71 2iqf s LYS 83 N -3.24 0.20 0.11 4.77 2.20 -1.26 -5.02 119.74 117.50 2iqf s LYS 83 Ca 0.07 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 2iqf s LYS 83 Cb 0.10 0.01 -0.07 0.00 -1.51 0.00 0.00 37.83 36.36 2iqf s LYS 83 CO 0.48 -0.08 1.19 0.08 -0.36 0.00 0.00 175.35 176.66 2iqf s VAL 84 N 0.58 3.87 0.00 4.02 1.01 -1.26 -2.37 120.40 126.24 2iqf s VAL 84 Ca -0.04 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2iqf s VAL 84 Cb -0.05 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.41 2iqf s VAL 84 CO -0.03 0.16 0.00 0.61 0.00 0.00 0.00 175.10 175.84 2iqf n GLY 85 N 2.77 1.46 3.72 4.51 0.00 -0.25 -5.02 105.19 112.39 2iqf n GLY 85 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.89 4.27 -0.08 1.61 2.20 -1.00 -4.67 119.74 121.18 2iqf s LYS 86 Ca 0.00 2.23 -0.01 0.00 -0.36 0.00 0.00 55.97 57.83 2iqf s LYS 86 Cb 0.00 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2iqf s LYS 86 CO 0.00 -0.50 -0.02 0.15 -0.36 0.00 0.00 175.35 174.62 2iqf s LYS 87 N 0.81 2.94 -0.05 4.03 1.02 -1.26 -1.91 119.74 125.33 2iqf s LYS 87 Ca 0.66 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 56.20 2iqf s LYS 87 Cb -0.41 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 2iqf s LYS 87 CO 0.33 0.67 -0.04 0.99 -0.92 0.00 0.00 175.35 176.39 2iqf s THR 88 N -0.81 0.50 0.48 2.17 2.01 0.29 -4.97 115.64 115.31 2iqf s THR 88 Ca 0.12 -0.09 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 2iqf s THR 88 Cb -0.11 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.78 2iqf s THR 88 CO 0.02 0.22 1.09 -1.61 -0.69 0.00 0.00 174.62 173.65 2iqf s GLU 89 N 1.03 3.77 0.17 4.92 0.41 -1.26 -0.38 118.70 127.35 2iqf s GLU 89 Ca -0.09 1.53 -0.07 0.00 -0.41 0.00 0.00 54.97 55.93 2iqf s GLU 89 Cb -0.14 -2.23 -0.02 0.00 -1.78 0.00 0.00 34.13 29.96 2iqf s GLU 89 CO -0.01 -0.49 0.25 0.00 -0.49 0.00 0.00 175.26 174.52 2iqf s PHE 91 N -4.02 0.46 0.03 0.00 5.36 0.55 -1.12 117.98 119.24 2iqf s PHE 91 Ca 0.22 -0.05 0.06 0.00 -0.96 0.00 0.00 56.93 56.20 2iqf s PHE 91 Cb 0.04 -0.56 -0.03 0.00 -0.34 0.00 0.00 43.02 42.13 2iqf s PHE 91 CO 0.03 -0.20 -0.16 -0.06 -1.46 0.00 0.00 175.22 173.38 2iqf s PHE 92 N 1.35 2.62 -0.07 10.12 0.40 -0.10 -0.56 117.98 131.73 2iqf s PHE 92 Ca -0.05 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.08 2iqf s PHE 92 Cb -0.13 -1.49 0.02 0.00 0.51 0.00 0.00 43.02 41.92 2iqf s PHE 92 CO -0.02 0.27 -0.11 0.50 0.70 0.00 0.00 175.22 176.55 2iqf s ARG 93 N -1.40 1.68 0.07 0.44 3.52 -0.11 -1.57 118.95 121.58 2iqf s ARG 93 Ca 0.15 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.39 2iqf s ARG 93 Cb -0.11 -1.44 -0.04 0.00 -1.56 0.00 0.00 34.95 31.80 2iqf s ARG 93 CO 0.05 -0.03 0.04 -0.06 -0.81 0.00 0.00 175.30 174.50 2iqf s PHE 94 N 0.85 3.11 0.24 5.12 0.40 0.71 -0.79 117.98 127.62 2iqf s PHE 94 Ca -0.11 0.05 -0.21 0.00 -0.60 0.00 0.00 56.93 56.05 2iqf s PHE 94 Cb -0.15 -1.60 0.03 0.00 0.51 0.00 0.00 43.02 41.81 2iqf s PHE 94 CO 0.02 0.50 0.68 -1.54 0.70 0.00 0.00 175.22 175.58 2iqf s SER 95 N -2.26 -0.35 0.44 1.36 1.04 -1.13 -0.48 113.70 112.32 2iqf s SER 95 Ca 0.27 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2iqf s SER 95 Cb -0.12 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.69 2iqf s SER 95 CO 0.19 -1.23 0.00 0.35 0.98 0.00 0.00 173.24 173.53 2iqf n THR 96 N -0.43 0.00 0.02 2.02 -2.24 -0.77 -0.91 114.28 111.97 2iqf n THR 96 Ca -0.08 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.68 2iqf n THR 96 Cb 0.61 -1.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.30 1.01 0.05 2.28 0.31 -1.25 -3.77 118.33 115.66 2iqf n VAL 97 Ca 0.00 0.27 -0.15 0.00 -0.01 0.00 0.00 64.34 64.45 2iqf n VAL 97 Cb 0.00 -1.66 -0.14 0.00 -0.91 0.00 0.00 33.84 31.13 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 -0.14 0.35 -2.61 3.52 0.00 -1.92 -1.34 119.26 117.12 2iqf h ALA 98 Ca -0.02 -1.14 -0.50 0.00 0.00 0.00 0.00 54.91 53.25 2iqf h ALA 98 Cb 0.37 0.27 0.07 0.00 0.00 0.00 0.00 17.79 18.49 2iqf h ALA 98 CO -0.01 1.21 0.45 0.20 0.00 0.00 0.00 179.25 181.10 2iqf s GLY 99 N -4.97 2.68 0.80 0.00 0.00 -1.26 -4.86 107.32 99.71 2iqf s GLY 99 Ca -0.08 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.38 2iqf s GLY 99 CO 0.84 1.24 1.09 1.18 0.00 0.00 0.00 173.10 177.46 2iqf n GLU 100 N -0.95 -0.84 -1.70 2.90 4.71 -1.26 -3.93 120.64 119.56 2iqf n GLU 100 Ca 0.10 -1.96 -0.38 0.00 -0.01 0.00 0.00 57.16 54.91 2iqf n GLU 100 Cb 0.50 -1.04 0.05 0.00 -1.01 0.00 0.00 31.44 29.94 2iqf n GLU 100 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 2iqf n ARG 101 N -3.25 1.32 0.00 3.49 1.74 -1.26 -1.48 116.66 117.22 2iqf n ARG 101 Ca 0.15 0.50 0.00 0.00 -0.77 0.00 0.00 57.85 57.72 2iqf n ARG 101 Cb 0.51 -2.42 0.00 0.00 -1.02 0.00 0.00 32.46 29.53 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 0.97 2.79 3.71 -0.13 0.00 -1.26 -5.01 105.19 106.26 2iqf n GLY 102 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.38 3.16 0.30 1.61 1.04 -0.55 -5.00 113.70 111.87 2iqf s SER 103 Ca 0.00 1.30 -0.26 0.00 0.48 0.00 0.00 55.95 57.47 2iqf s SER 103 Cb 0.00 -1.96 -0.10 0.00 0.10 0.00 0.00 66.02 64.06 2iqf s SER 103 CO 0.00 -2.81 0.91 0.00 0.98 0.00 0.00 173.24 172.32 2iqf s ALA 104 N -2.99 3.26 0.12 5.32 0.00 -1.26 -4.85 121.76 121.35 2iqf s ALA 104 Ca 0.64 0.48 -0.14 0.00 0.00 0.00 0.00 51.96 52.94 2iqf s ALA 104 Cb -0.18 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.76 2iqf s ALA 104 CO 0.57 0.20 1.48 -0.44 0.00 0.00 0.00 175.76 177.56 2iqf h ASP 105 N 3.33 0.79 -1.38 0.00 3.32 -1.42 -3.38 116.42 117.68 2iqf h ASP 105 Ca -0.47 -0.42 -0.76 0.00 0.02 0.00 0.00 57.03 55.40 2iqf h ASP 105 Cb 1.19 -0.22 -0.15 0.00 0.22 0.00 0.00 39.33 40.37 2iqf h ASP 105 CO 0.65 1.05 2.05 0.00 -1.72 0.00 0.00 179.24 181.27 2iqf n ALA 106 N -2.48 5.58 -2.41 3.45 0.00 -1.26 -4.90 120.51 118.49 2iqf n ALA 106 Ca -0.02 -4.30 -0.21 0.00 0.00 0.00 0.00 53.44 48.91 2iqf n ALA 106 Cb 0.43 -2.94 -0.10 0.00 0.00 0.00 0.00 19.45 16.84 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 0.08 1.64 -0.26 0.00 -7.23 -1.26 -4.59 120.40 108.78 2iqf s VAL 107 Ca 0.41 -2.14 -0.24 0.00 -1.81 0.00 0.00 61.98 58.20 2iqf s VAL 107 Cb 0.11 -2.38 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2iqf s VAL 107 CO -0.01 -0.35 0.81 -0.60 -0.31 0.00 0.00 175.10 174.64 2iqf s ARG 108 N -3.72 4.13 -0.27 4.82 3.52 -1.26 -4.56 118.95 121.62 2iqf s ARG 108 Ca 0.28 0.84 -0.34 0.00 -0.13 0.00 0.00 55.73 56.38 2iqf s ARG 108 Cb 0.03 -3.66 0.17 0.00 -1.56 0.00 0.00 34.95 29.92 2iqf s ARG 108 CO 0.11 -0.55 1.33 0.34 -0.81 0.00 0.00 175.30 175.72 2iqf s ASP 109 N 1.41 -0.05 0.87 -2.12 3.68 -0.89 -5.03 116.67 114.54 2iqf s ASP 109 Ca 0.34 0.02 -0.10 0.00 2.13 0.00 0.00 52.55 54.94 2iqf s ASP 109 Cb -0.15 0.05 0.12 0.00 -1.45 0.00 0.00 42.92 41.49 2iqf s ASP 109 CO 0.09 -0.07 1.12 -2.84 0.13 0.00 0.00 175.17 173.60 2iqf s PRO 110 N -1.69 1.39 -0.07 4.34 0.02 -1.26 -4.69 135.00 133.03 2iqf s PRO 110 Ca 0.10 1.35 0.04 0.00 0.02 0.00 0.00 61.00 62.51 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 -2.30 -0.20 1.03 -0.33 0.00 0.00 177.00 175.14 2iqf s ARG 111 N -4.75 2.72 0.48 5.54 1.81 -1.26 -3.88 118.95 119.61 2iqf s ARG 111 Ca 0.65 -0.82 -0.22 0.00 -1.72 0.00 0.00 55.73 53.62 2iqf s ARG 111 Cb -0.21 -2.30 -0.07 0.00 -0.45 0.00 0.00 34.95 31.92 2iqf s ARG 111 CO 0.57 0.39 1.11 0.20 -0.68 0.00 0.00 175.30 176.90 2iqf s GLY 112 N -0.17 2.68 -0.39 -3.53 0.00 -0.09 -0.17 107.32 105.65 2iqf s GLY 112 Ca -0.02 0.80 0.08 0.00 0.00 0.00 0.00 44.72 45.58 2iqf s GLY 112 CO 0.04 1.20 0.54 0.33 0.00 0.00 0.00 173.10 175.21 2iqf n PHE 113 N -0.76 -0.47 -3.28 1.90 -0.00 0.18 -2.83 117.46 112.21 2iqf n PHE 113 Ca 0.09 -3.50 -0.38 0.00 -0.00 0.00 0.00 57.45 53.66 2iqf n PHE 113 Cb 0.50 -0.28 -0.06 0.00 -0.00 0.00 0.00 39.48 39.65 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 -1.16 3.47 -0.05 3.13 0.00 0.03 -1.21 121.76 125.98 2iqf s ALA 114 Ca 0.35 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.20 2iqf s ALA 114 Cb 0.18 -2.68 0.01 0.00 0.00 0.00 0.00 23.12 20.63 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 0.49 1.26 -0.17 0.00 -1.94 -0.30 -0.93 119.30 117.71 2iqf s MET 115 Ca 0.28 -0.29 -0.00 0.00 -1.71 0.00 0.00 55.69 53.96 2iqf s MET 115 Cb -0.16 -1.11 0.04 0.00 2.01 0.00 0.00 34.83 35.61 2iqf s MET 115 CO 0.12 0.02 -0.07 0.21 -0.01 0.00 0.00 175.02 175.29 2iqf s LYS 116 N 0.63 1.61 -0.23 2.03 2.20 0.27 -0.45 119.74 125.81 2iqf s LYS 116 Ca -0.11 -0.58 -0.06 0.00 -0.36 0.00 0.00 55.97 54.85 2iqf s LYS 116 Cb -0.14 -2.09 -0.02 0.00 -1.51 0.00 0.00 37.83 34.07 2iqf s LYS 116 CO 0.02 -0.42 0.03 0.71 -0.36 0.00 0.00 175.35 175.34 2iqf s TYR 117 N 1.57 3.06 -1.16 4.03 1.51 0.12 -0.33 117.35 126.14 2iqf s TYR 117 Ca 0.01 -0.51 -0.15 0.00 -1.01 0.00 0.00 57.07 55.41 2iqf s TYR 117 Cb -0.15 -2.18 0.15 0.00 -0.11 0.00 0.00 41.96 39.67 2iqf s TYR 117 CO -0.08 -0.35 1.41 0.71 -1.11 0.00 0.00 175.55 176.12 2iqf s TYR 118 N 1.42 3.36 0.63 2.71 2.02 -0.28 -0.96 117.35 126.25 2iqf s TYR 118 Ca 0.05 -1.94 -0.03 0.00 -0.37 0.00 0.00 57.07 54.77 2iqf s TYR 118 Cb -0.15 -4.35 0.04 0.00 -0.40 0.00 0.00 41.96 37.10 2iqf s TYR 118 CO 0.02 -1.46 0.90 0.95 -1.57 0.00 0.00 175.55 174.40 2iqf s THR 119 N 2.05 2.62 -0.31 -0.71 -4.23 -0.82 -4.49 115.64 109.74 2iqf s THR 119 Ca 0.42 -0.39 0.28 0.00 -1.18 0.00 0.00 61.69 60.81 2iqf s THR 119 Cb -0.03 -3.07 0.32 0.00 1.34 0.00 0.00 72.50 71.07 2iqf s THR 119 CO -0.01 -0.06 1.81 -0.33 -0.54 0.00 0.00 174.62 175.48 2iqf h GLU 120 N -0.28 0.00 -0.15 3.99 5.08 -1.94 -3.04 114.58 118.24 2iqf h GLU 120 Ca -0.44 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.81 2iqf h GLU 120 Cb 1.30 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.46 2iqf h GLU 120 CO 0.57 0.00 -0.56 0.39 -1.00 0.00 0.00 179.01 178.41 2iqf n GLU 121 N -2.66 2.00 0.00 2.33 1.02 -1.26 -4.78 120.64 117.28 2iqf n GLU 121 Ca 0.02 -3.48 0.00 0.00 -0.02 0.00 0.00 57.16 53.68 2iqf n GLU 121 Cb 0.33 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.04 3.34 3.66 0.62 0.00 -1.15 -4.59 105.19 106.04 2iqf n GLY 122 Ca 0.24 -1.94 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 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 7.01 -0.38 1.61 0.01 -1.26 -1.95 114.94 119.97 2iqf s ASN 123 Ca 0.00 1.61 -0.18 0.00 -0.71 0.00 0.00 52.86 53.58 2iqf s ASN 123 Cb 0.00 -2.54 0.01 0.00 0.41 0.00 0.00 41.25 39.13 2iqf s ASN 123 CO 0.00 -0.71 0.50 0.86 -1.51 0.00 0.00 177.10 176.24 2iqf s TRP 124 N 3.25 3.16 -0.30 2.20 -0.00 -0.13 -4.48 118.94 122.64 2iqf s TRP 124 Ca 0.52 -0.03 -0.12 0.00 -0.00 0.00 0.00 56.10 56.46 2iqf s TRP 124 Cb -0.20 -2.97 -0.04 0.00 -0.00 0.00 0.00 33.47 30.26 2iqf s TRP 124 CO 0.13 -0.63 0.24 -0.51 -0.00 0.00 0.00 176.95 176.18 2iqf s ASP 125 N 1.82 6.07 -0.42 5.86 -0.00 -0.31 -0.71 116.67 128.99 2iqf s ASP 125 Ca 0.17 -0.10 -0.06 0.00 -0.00 0.00 0.00 52.55 52.56 2iqf s ASP 125 Cb -0.16 -2.14 0.10 0.00 -0.00 0.00 0.00 42.92 40.72 2iqf s ASP 125 CO 0.14 -0.14 0.24 -0.22 -0.00 0.00 0.00 175.17 175.19 2iqf s LEU 126 N 1.81 5.25 -0.93 1.23 2.96 0.41 -4.44 118.68 124.97 2iqf s LEU 126 Ca 0.08 -1.84 -0.14 0.00 -0.22 0.00 0.00 54.13 52.02 2iqf s LEU 126 Cb -0.16 -1.90 0.21 0.00 0.50 0.00 0.00 46.19 44.84 2iqf s LEU 126 CO 0.11 -0.56 0.94 -0.69 -1.32 0.00 0.00 176.35 174.83 2iqf s VAL 127 N 1.27 5.52 0.47 1.68 1.01 -1.26 -1.15 120.40 127.94 2iqf s VAL 127 Ca 0.05 -2.54 0.07 0.00 0.00 0.00 0.00 61.98 59.56 2iqf s VAL 127 Cb -0.24 -4.58 0.07 0.00 0.00 0.00 0.00 36.38 31.64 2iqf s VAL 127 CO -0.02 -1.18 0.59 0.61 0.00 0.00 0.00 175.10 175.11 2iqf n GLY 128 N 3.95 2.12 3.32 4.51 0.00 -0.35 -4.93 105.19 113.82 2iqf n GLY 128 Ca 0.19 -2.22 -0.18 0.00 0.00 0.00 0.00 46.02 43.81 2iqf n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2iqf s ASN 129 N -3.89 1.34 -0.04 1.61 0.01 -0.74 -0.65 114.94 112.57 2iqf s ASN 129 Ca 0.45 -1.50 0.03 0.00 -0.71 0.00 0.00 52.86 51.14 2iqf s ASN 129 Cb -0.04 0.32 0.18 0.00 0.41 0.00 0.00 41.25 42.12 2iqf s ASN 129 CO 0.29 -0.84 0.84 -0.46 -1.51 0.00 0.00 177.10 175.41 2iqf n ASN 130 N -0.75 1.86 -3.94 -1.22 6.94 0.76 -0.64 115.26 118.27 2iqf n ASN 130 Ca 0.01 -2.17 -0.10 0.00 -0.02 0.00 0.00 54.58 52.30 2iqf n ASN 130 Cb 0.65 -0.47 -0.12 0.00 -2.36 0.00 0.00 39.78 37.48 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 -1.46 0.07 -0.69 5.53 -1.32 -1.26 -4.70 115.64 111.81 2iqf s THR 131 Ca 0.12 -0.62 0.25 0.00 -1.21 0.00 0.00 61.69 60.23 2iqf s THR 131 Cb 0.09 -0.18 0.26 0.00 -1.51 0.00 0.00 72.50 71.16 2iqf s THR 131 CO 0.04 -0.34 1.76 -0.81 -2.21 0.00 0.00 174.62 173.06 2iqf n PRO 132 N 2.07 0.21 -4.41 7.08 -0.04 -1.26 -4.58 135.00 134.06 2iqf n PRO 132 Ca -0.20 0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.32 2iqf n PRO 132 Cb 0.57 -1.79 -0.10 0.00 -0.04 0.00 0.00 33.50 32.14 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 -3.16 0.95 0.33 0.52 -7.23 -1.26 -4.33 120.40 106.23 2iqf s VAL 133 Ca 0.09 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.30 2iqf s VAL 133 Cb 0.12 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2iqf s VAL 133 CO 0.51 0.00 0.18 0.12 -0.31 0.00 0.00 175.10 175.60 2iqf s PHE 134 N -3.43 1.68 -0.53 2.82 2.19 -0.23 -4.91 117.98 115.56 2iqf s PHE 134 Ca 0.36 -1.42 0.25 0.00 0.33 0.00 0.00 56.93 56.45 2iqf s PHE 134 Cb 0.08 -0.89 0.62 0.00 -1.31 0.00 0.00 43.02 41.51 2iqf s PHE 134 CO 0.15 -0.55 1.70 0.74 1.83 0.00 0.00 175.22 179.09 2iqf h PHE 135 N 2.10 0.00 -4.19 10.12 -1.00 -1.88 -3.38 116.94 118.71 2iqf h PHE 135 Ca -0.32 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.33 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 1.30 0.00 -0.68 0.96 -1.61 0.00 0.00 178.31 178.27 2iqf s ILE 136 N -3.20 0.22 0.00 -0.55 -4.36 -1.26 -3.17 121.20 108.89 2iqf s ILE 136 Ca 0.08 -1.69 0.00 0.00 -0.26 0.00 0.00 60.65 58.78 2iqf s ILE 136 Cb 0.08 -1.35 0.00 0.00 1.25 0.00 0.00 42.46 42.44 2iqf s ILE 136 CO 0.62 -0.92 0.57 -2.11 0.24 0.00 0.00 174.94 173.33 2iqf n ARG 137 N 0.31 0.63 -4.40 0.37 1.85 -1.26 -4.49 116.66 109.67 2iqf n ARG 137 Ca -0.15 -0.72 -0.24 0.00 -1.00 0.00 0.00 57.85 55.74 2iqf n ARG 137 Cb 0.60 -0.82 -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 -0.32 1.60 0.60 2.89 3.68 -1.26 -3.95 116.67 119.91 2iqf s ASP 138 Ca 0.00 -0.25 0.29 0.00 2.13 0.00 0.00 52.55 54.72 2iqf s ASP 138 Cb 0.00 -0.72 1.65 0.00 -1.45 0.00 0.00 42.92 42.40 2iqf s ASP 138 CO 0.00 -0.01 2.06 0.00 0.13 0.00 0.00 175.17 177.35 2iqf h ALA 139 N 7.16 1.80 0.00 3.66 0.00 -1.84 -1.85 119.26 128.19 2iqf h ALA 139 Ca -0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2iqf h ALA 139 Cb 1.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2iqf h ALA 139 CO 0.46 -0.37 -0.04 0.97 0.00 0.00 0.00 179.25 180.28 2iqf h ILE 140 N 0.00 0.22 -0.00 0.00 2.10 -1.96 -0.19 117.51 117.68 2iqf h ILE 140 Ca 0.10 -0.28 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2iqf h ILE 140 Cb 0.62 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2iqf h ILE 140 CO -0.00 0.04 -0.12 0.29 -1.08 0.00 0.00 178.15 177.27 2iqf n LYS 141 N -3.32 0.22 -0.07 2.19 4.76 -0.70 -4.39 118.16 116.85 2iqf n LYS 141 Ca -0.02 -0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.29 2iqf n LYS 141 Cb 0.18 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 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 0.13 0.17 -0.61 2.13 3.04 -1.19 -1.28 116.94 119.34 2iqf h PHE 142 Ca 0.00 0.01 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2iqf h PHE 142 Cb 0.44 -0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.88 2iqf h PHE 142 CO 0.00 0.08 0.40 -1.35 -2.02 0.00 0.00 178.31 175.42 2iqf h PRO 143 N 0.22 0.77 -0.01 6.41 0.11 -1.80 -0.41 132.00 137.29 2iqf h PRO 143 Ca 0.12 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 2iqf h PRO 143 Cb 0.09 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.03 2iqf h PRO 143 CO -0.13 0.51 0.00 -0.44 -0.21 0.00 0.00 178.00 177.73 2iqf h ASP 144 N 0.79 0.02 -0.13 -2.05 3.32 -1.68 0.70 116.42 117.40 2iqf h ASP 144 Ca 0.23 -0.30 0.02 0.00 0.02 0.00 0.00 57.03 57.00 2iqf h ASP 144 Cb -0.04 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2iqf h ASP 144 CO -0.05 0.32 0.01 0.15 -1.72 0.00 0.00 179.24 177.94 2iqf h PHE 145 N -0.27 0.01 -0.58 4.55 3.04 -1.00 -2.05 116.94 120.64 2iqf h PHE 145 Ca 0.00 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.86 2iqf h PHE 145 Cb 0.30 0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 2iqf h PHE 145 CO 0.03 -0.01 -0.05 0.82 -2.02 0.00 0.00 178.31 177.08 2iqf h ILE 146 N 0.05 1.27 -0.86 1.41 1.08 -1.04 -1.75 117.51 117.67 2iqf h ILE 146 Ca 0.06 -1.22 0.13 0.00 -0.39 0.00 0.00 64.86 63.44 2iqf h ILE 146 Cb 0.06 0.87 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2iqf h ILE 146 CO -0.09 0.44 0.47 0.45 -0.69 0.00 0.00 178.15 178.72 2iqf h HIS 147 N 0.96 0.83 0.00 1.37 3.86 -0.58 -1.46 115.15 120.13 2iqf h HIS 147 Ca 0.16 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.33 2iqf h HIS 147 Cb 0.62 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2iqf h HIS 147 CO 0.04 0.25 -0.35 1.79 0.86 0.00 0.00 177.93 180.52 2iqf h THR 148 N 0.70 0.87 0.00 2.45 1.35 -0.62 -2.90 112.91 114.77 2iqf h THR 148 Ca 0.45 -1.44 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 2iqf h THR 148 Cb 0.58 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 2iqf h THR 148 CO -0.33 0.35 -0.16 1.56 -0.25 0.00 0.00 175.52 176.69 2iqf h GLN 149 N 0.00 0.00 0.00 4.72 1.08 -0.66 -3.33 115.11 116.92 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 0.85 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.28 2iqf h GLN 149 CO 0.05 0.00 0.00 1.63 -0.95 0.00 0.00 178.83 179.56 2iqf n LYS 150 N -2.91 3.30 -3.61 1.46 5.02 -0.81 -4.91 118.16 115.70 2iqf n LYS 150 Ca 0.04 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 2iqf n LYS 150 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 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 4.68 3.73 0.22 1.97 0.52 -1.26 -4.30 118.95 124.51 2iqf s ARG 151 Ca 0.00 0.14 -0.32 0.00 -0.52 0.00 0.00 55.73 55.04 2iqf s ARG 151 Cb 0.00 -3.05 -0.14 0.00 0.52 0.00 0.00 34.95 32.29 2iqf s ARG 151 CO 0.00 0.60 1.39 -3.47 0.02 0.00 0.00 175.30 173.84 2iqf n ASP 152 N 1.09 2.58 0.22 0.23 -0.08 0.07 -4.85 116.55 115.80 2iqf n ASP 152 Ca -0.10 1.14 0.15 0.00 -1.51 0.00 0.00 54.79 54.47 2iqf n ASP 152 Cb 0.52 -1.40 0.68 0.00 2.34 0.00 0.00 41.12 43.27 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 4.26 0.00 0.00 -0.67 0.13 -1.95 -0.66 132.00 133.10 2iqf h PRO 153 Ca -0.45 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2iqf h PRO 153 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2iqf h PRO 153 CO 0.76 0.00 -1.14 0.94 -0.23 0.00 0.00 178.00 178.33 2iqf n GLN 154 N -2.65 0.52 0.13 0.86 7.27 -1.26 -4.66 117.38 117.59 2iqf n GLN 154 Ca 0.00 0.33 0.12 0.00 0.07 0.00 0.00 57.00 57.53 2iqf n GLN 154 Cb 0.20 -1.53 0.22 0.00 2.41 0.00 0.00 30.24 31.54 2iqf n GLN 154 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2iqf h THR 155 N -1.00 0.00 -2.73 1.69 1.35 -1.95 -3.47 112.91 106.79 2iqf h THR 155 Ca -0.14 -0.72 -0.41 0.00 -0.55 0.00 0.00 66.41 64.60 2iqf h THR 155 Cb 0.99 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.92 2iqf h THR 155 CO -0.08 0.00 -0.50 -3.20 -0.25 0.00 0.00 175.52 171.49 2iqf n ASN 156 N -2.54 -5.73 -4.60 5.36 5.15 -0.26 -4.97 115.26 107.68 2iqf n ASN 156 Ca 0.04 0.08 -0.28 0.00 -0.60 0.00 0.00 54.58 53.82 2iqf n ASN 156 Cb 0.48 -4.82 -0.09 0.00 -0.53 0.00 0.00 39.78 34.82 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 -5.80 3.08 0.70 1.20 1.43 -1.26 -4.75 118.68 113.28 2iqf s LEU 157 Ca 0.00 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 2iqf s LEU 157 Cb 0.00 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.43 2iqf s LEU 157 CO 0.00 0.13 1.22 -2.65 0.23 0.00 0.00 176.35 175.28 2iqf n PRO 158 N 0.29 0.78 -3.62 1.29 -0.02 -1.26 -0.75 135.00 131.71 2iqf n PRO 158 Ca -0.12 0.33 -0.24 0.00 -2.02 0.00 0.00 63.50 61.45 2iqf n PRO 158 Cb 0.54 -2.45 -0.17 0.00 -0.02 0.00 0.00 33.50 31.40 2iqf n PRO 158 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2iqf s ASN 159 N -1.60 1.99 0.38 2.55 3.84 -1.26 -4.81 114.94 116.03 2iqf s ASN 159 Ca 0.79 -0.42 0.11 0.00 0.21 0.00 0.00 52.86 53.55 2iqf s ASN 159 Cb -0.35 -0.17 0.74 0.00 -0.55 0.00 0.00 41.25 40.92 2iqf s ASN 159 CO 0.44 -0.33 1.86 0.45 -2.79 0.00 0.00 177.10 176.74 2iqf h HIS 160 N 8.42 0.11 0.00 0.43 3.86 -1.93 -2.79 115.15 123.25 2iqf h HIS 160 Ca -0.14 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2iqf h HIS 160 Cb 1.14 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.59 2iqf h HIS 160 CO 0.22 0.38 0.00 -0.25 0.86 0.00 0.00 177.93 179.14 2iqf n ASP 161 N -4.17 0.00 0.00 2.45 10.43 -1.26 -1.88 116.55 122.12 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 0.35 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.31 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 0.34 0.00 0.10 2.53 0.31 -1.05 -0.76 118.33 119.80 2iqf n VAL 163 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2iqf n VAL 163 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 -0.59 3.52 4.06 -1.68 -2.49 115.95 118.78 2iqf h TRP 164 Ca 0.00 0.00 0.01 0.00 2.06 0.00 0.00 58.89 60.96 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 0.29 0.38 0.22 -3.56 0.00 0.00 178.44 175.76 2iqf h ASP 165 N 0.00 0.64 0.28 -3.49 3.58 -1.18 -0.21 116.42 116.04 2iqf h ASP 165 Ca -0.06 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.37 2iqf h ASP 165 Cb 1.27 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 42.17 2iqf h ASP 165 CO 0.03 0.46 -0.13 0.15 -2.88 0.00 0.00 179.24 176.86 2iqf h PHE 166 N 0.76 -0.34 -0.74 0.28 3.04 -1.79 -2.93 116.94 115.21 2iqf h PHE 166 Ca 0.22 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2iqf h PHE 166 Cb -0.05 0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.54 2iqf h PHE 166 CO -0.04 0.02 0.41 -1.49 -2.02 0.00 0.00 178.31 175.18 2iqf h TRP 167 N -0.84 1.00 0.00 0.41 6.55 -1.41 -1.21 115.95 120.45 2iqf h TRP 167 Ca -0.04 -0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.73 2iqf h TRP 167 Cb 0.51 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.48 2iqf h TRP 167 CO 0.04 0.69 -0.27 0.66 -1.05 0.00 0.00 178.44 178.51 2iqf h SER 168 N 1.03 0.00 0.15 -3.49 4.64 -1.08 -2.33 113.55 112.47 2iqf h SER 168 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 2iqf h SER 168 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2iqf h SER 168 CO -0.04 0.27 -0.35 0.59 -0.87 0.00 0.00 176.83 176.43 2iqf n ASN 169 N -3.94 1.35 -3.37 4.97 3.02 -0.56 -4.43 115.26 112.30 2iqf n ASN 169 Ca -0.02 -1.09 -0.26 0.00 -0.03 0.00 0.00 54.58 53.19 2iqf n ASN 169 Cb 0.35 0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.70 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 -0.47 0.23 0.30 2.41 0.31 -0.59 -4.98 118.33 115.54 2iqf n VAL 170 Ca 0.11 -4.30 0.19 0.00 -0.01 0.00 0.00 64.34 60.33 2iqf n VAL 170 Cb 0.39 -1.96 0.93 0.00 -0.91 0.00 0.00 33.84 32.29 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 4.52 0.00 0.00 5.55 0.13 -1.77 -0.67 132.00 139.76 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 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2iqf h PRO 171 CO 0.57 0.02 0.00 1.05 -0.23 0.00 0.00 178.00 179.41 2iqf h GLU 172 N 0.00 0.00 0.00 0.86 9.09 -1.87 -1.92 114.58 120.74 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 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 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 -2.45 0.00 -0.19 3.06 3.41 -0.26 -4.08 113.62 113.11 2iqf n SER 173 Ca -0.02 0.44 -0.06 0.00 -0.26 0.00 0.00 58.87 58.97 2iqf n SER 173 Cb 0.04 -0.47 0.04 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 0.58 0.34 1.04 5.85 -1.57 -0.51 115.31 121.05 2iqf h LEU 174 Ca 0.00 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2iqf h LEU 174 Cb 0.19 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2iqf h LEU 174 CO 0.00 0.41 -0.41 0.22 -0.34 0.00 0.00 178.44 178.32 2iqf h TYR 175 N 0.70 -1.14 0.00 1.25 5.03 -1.82 0.39 116.97 121.39 2iqf h TYR 175 Ca 0.22 0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.46 2iqf h TYR 175 Cb -0.02 0.45 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 2iqf h TYR 175 CO -0.05 -0.56 -0.38 0.37 -1.32 0.00 0.00 178.16 176.22 2iqf h GLN 176 N -0.80 0.00 -0.71 1.82 5.75 -1.70 -0.02 115.11 119.46 2iqf h GLN 176 Ca -0.02 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2iqf h GLN 176 Cb 0.73 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.24 2iqf h GLN 176 CO -0.11 0.38 0.46 0.28 -2.65 0.00 0.00 178.83 177.19 2iqf h VAL 177 N 0.00 1.16 -0.44 2.39 2.07 -0.80 0.28 116.25 120.91 2iqf h VAL 177 Ca -0.00 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.12 2iqf h VAL 177 Cb 0.68 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2iqf h VAL 177 CO 0.05 0.17 -0.03 0.74 0.02 0.00 0.00 177.57 178.52 2iqf h THR 178 N 0.94 1.27 0.20 2.57 2.02 0.55 -3.13 112.91 117.33 2iqf h THR 178 Ca 0.26 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 2iqf h THR 178 Cb -0.08 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2iqf h THR 178 CO -0.07 0.38 -0.10 -0.25 0.37 0.00 0.00 175.52 175.85 2iqf h TRP 179 N 0.64 -0.25 0.00 3.16 2.91 -0.80 -1.91 115.95 119.70 2iqf h TRP 179 Ca 0.12 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2iqf h TRP 179 Cb 0.54 0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 2iqf h TRP 179 CO 0.04 0.00 0.00 1.55 -1.03 0.00 0.00 178.44 179.01 2iqf n VAL 180 N -5.11 0.29 0.00 2.65 3.14 0.06 -3.70 118.33 115.66 2iqf n VAL 180 Ca -0.09 -0.03 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2iqf n VAL 180 Cb 0.20 -0.73 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 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 1.10 0.00 -0.06 6.55 3.41 -0.72 -3.46 113.62 120.44 2iqf n SER 182 Ca 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 58.87 58.81 2iqf n SER 182 Cb 0.12 -0.22 0.65 0.00 -0.26 0.00 0.00 64.21 64.50 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 0.10 -0.18 4.04 3.32 -1.88 -1.49 116.42 120.33 2iqf h ASP 183 Ca 0.00 0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.11 2iqf h ASP 183 Cb 0.00 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2iqf h ASP 183 CO 0.00 0.05 0.20 0.03 -1.72 0.00 0.00 179.24 177.80 2iqf h ARG 184 N 0.10 0.00 0.00 3.56 2.47 -1.89 -3.11 114.38 115.51 2iqf h ARG 184 Ca 0.30 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.01 2iqf h ARG 184 Cb 1.04 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.36 2iqf h ARG 184 CO -0.03 0.00 -0.06 0.78 0.56 0.00 0.00 179.97 181.22 2iqf h GLY 185 N 0.00 0.00 -6.95 0.04 0.00 -1.29 -3.35 103.07 91.52 2iqf h GLY 185 Ca 0.08 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.82 2iqf h GLY 185 CO -0.00 0.00 -0.77 -0.42 0.00 0.00 0.00 176.54 175.35 2iqf s ILE 186 N -4.72 0.95 0.63 2.60 1.01 -1.18 -2.10 121.20 118.38 2iqf s ILE 186 Ca -0.04 -1.99 -0.17 0.00 0.00 0.00 0.00 60.65 58.45 2iqf s ILE 186 Cb 0.16 -1.68 -0.02 0.00 0.01 0.00 0.00 42.46 40.92 2iqf s ILE 186 CO 0.63 -0.85 1.13 -2.16 0.00 0.00 0.00 174.94 173.70 2iqf s PRO 187 N 0.92 2.91 0.32 2.79 0.04 -1.26 -0.65 135.00 140.07 2iqf s PRO 187 Ca 0.15 1.53 0.04 0.00 0.04 0.00 0.00 61.00 62.76 2iqf s PRO 187 Cb -0.22 -1.95 0.65 0.00 0.04 0.00 0.00 34.50 33.02 2iqf s PRO 187 CO -0.08 -1.19 1.89 -0.22 0.04 0.00 0.00 177.00 177.44 2iqf h LYS 188 N 0.41 0.86 -2.13 4.56 3.64 -1.23 -3.40 116.57 119.29 2iqf h LYS 188 Ca -0.48 -0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.07 2iqf h LYS 188 Cb 1.26 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2iqf h LYS 188 CO 0.55 0.57 0.61 -1.54 -2.27 0.00 0.00 179.45 177.36 2iqf s SER 189 N -5.90 -0.11 0.56 4.20 1.04 -1.26 -4.95 113.70 107.28 2iqf s SER 189 Ca -0.11 -0.38 0.28 0.00 0.48 0.00 0.00 55.95 56.23 2iqf s SER 189 Cb 0.21 0.39 1.65 0.00 0.10 0.00 0.00 66.02 68.38 2iqf s SER 189 CO 0.79 -0.74 2.18 -0.26 0.98 0.00 0.00 173.24 176.19 2iqf h PHE 190 N 2.00 0.00 0.00 5.02 0.05 -1.89 -1.88 116.94 120.25 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 1.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.17 2iqf h PHE 190 CO 0.57 0.05 0.00 0.54 -0.18 0.00 0.00 178.31 179.29 2iqf n ARG 191 N -3.78 0.16 -0.99 1.51 1.74 -1.26 -3.74 116.66 110.30 2iqf n ARG 191 Ca -0.02 0.19 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 2iqf n ARG 191 Cb 0.15 -1.71 0.17 0.00 -1.02 0.00 0.00 32.46 30.05 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 -1.99 1.25 -4.09 -1.55 8.25 -0.70 -4.40 115.22 111.98 2iqf n HIS 192 Ca 0.05 -1.77 -0.12 0.00 -0.26 0.00 0.00 57.72 55.62 2iqf n HIS 192 Cb 0.36 -0.48 -0.11 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 -3.34 0.60 0.63 -0.41 0.23 -1.25 -1.99 119.30 113.78 2iqf s MET 193 Ca 0.45 -0.93 -0.01 0.00 -1.03 0.00 0.00 55.69 54.17 2iqf s MET 193 Cb 0.41 -0.22 0.06 0.00 -1.53 0.00 0.00 34.83 33.55 2iqf s MET 193 CO -0.01 0.02 0.89 -0.51 -2.03 0.00 0.00 175.02 173.37 2iqf s ASP 194 N -2.04 4.93 0.12 -1.18 1.01 -1.26 -4.34 116.67 113.90 2iqf s ASP 194 Ca -0.04 0.03 0.03 0.00 0.71 0.00 0.00 52.55 53.29 2iqf s ASP 194 Cb -0.05 -0.74 -0.04 0.00 1.01 0.00 0.00 42.92 43.10 2iqf s ASP 194 CO -0.02 -1.43 -0.09 -0.83 0.21 0.00 0.00 175.17 173.01 2iqf s GLY 195 N -4.52 0.90 -0.09 0.21 0.00 0.21 -4.22 107.32 99.81 2iqf s GLY 195 Ca 0.60 -1.34 -0.16 0.00 0.00 0.00 0.00 44.72 43.82 2iqf s GLY 195 CO 0.41 -1.44 0.39 -1.36 0.00 0.00 0.00 173.10 171.11 2iqf s PHE 196 N -3.10 -0.35 0.35 1.90 0.40 0.19 0.17 117.98 117.54 2iqf s PHE 196 Ca 0.11 0.75 0.23 0.00 -0.60 0.00 0.00 56.93 57.43 2iqf s PHE 196 Cb 0.01 0.15 1.19 0.00 0.51 0.00 0.00 43.02 44.88 2iqf s PHE 196 CO -0.01 -0.32 1.97 0.78 0.70 0.00 0.00 175.22 178.34 2iqf h GLY 197 N 4.62 0.00 0.00 4.36 0.00 -1.55 -1.98 103.07 108.52 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 0.32 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.30 2iqf n SER 198 N -3.71 0.00 -4.78 0.19 7.64 -1.26 -4.75 113.62 106.95 2iqf n SER 198 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.52 2iqf n SER 198 Cb 0.31 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 2.76 0.17 1.43 3.76 -1.26 -4.82 115.29 117.33 2iqf s HIS 199 Ca 0.00 1.55 -0.31 0.00 -0.15 0.00 0.00 55.06 56.15 2iqf s HIS 199 Cb 0.00 -3.21 -0.09 0.00 1.11 0.00 0.00 32.58 30.39 2iqf s HIS 199 CO 0.00 -1.38 1.46 0.99 -0.85 0.00 0.00 174.74 174.96 2iqf s THR 200 N -1.91 2.91 0.17 1.30 2.01 -1.26 -4.72 115.64 114.15 2iqf s THR 200 Ca 0.70 0.68 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2iqf s THR 200 Cb -0.21 -3.44 0.00 0.00 0.01 0.00 0.00 72.50 68.86 2iqf s THR 200 CO 0.27 0.07 0.03 0.49 -0.69 0.00 0.00 174.62 174.79 2iqf n PHE 201 N 3.52 0.01 -4.36 4.92 3.72 -0.25 -4.26 117.46 120.77 2iqf n PHE 201 Ca 0.11 -0.83 -0.23 0.00 -0.05 0.00 0.00 57.45 56.45 2iqf n PHE 201 Cb 0.40 -0.12 -0.13 0.00 -0.94 0.00 0.00 39.48 38.69 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 -1.98 2.34 0.01 4.37 1.04 -0.74 -1.06 113.70 117.67 2iqf s SER 202 Ca 0.02 -0.62 0.05 0.00 0.48 0.00 0.00 55.95 55.89 2iqf s SER 202 Cb -0.00 -0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 2iqf s SER 202 CO 0.02 0.06 -0.13 -0.76 0.98 0.00 0.00 173.24 173.40 2iqf s LEU 203 N -1.64 2.82 -0.08 2.42 1.43 0.66 -0.65 118.68 123.63 2iqf s LEU 203 Ca 0.05 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2iqf s LEU 203 Cb -0.10 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.51 2iqf s LEU 203 CO 0.03 0.29 -0.16 -0.63 0.23 0.00 0.00 176.35 176.11 2iqf s ILE 204 N -0.90 1.43 0.64 -0.59 -1.09 -0.51 -1.02 121.20 119.17 2iqf s ILE 204 Ca 0.15 -0.65 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2iqf s ILE 204 Cb -0.11 -1.28 0.11 0.00 -1.58 0.00 0.00 42.46 39.60 2iqf s ILE 204 CO 0.05 0.42 0.88 0.54 -1.23 0.00 0.00 174.94 175.60 2iqf s ASN 205 N 0.61 4.76 0.53 3.58 2.20 -0.86 -1.22 114.94 124.53 2iqf s ASN 205 Ca -0.15 -0.65 0.21 0.00 -0.94 0.00 0.00 52.86 51.34 2iqf s ASN 205 Cb -0.16 0.18 1.40 0.00 -2.00 0.00 0.00 41.25 40.67 2iqf s ASN 205 CO 0.05 -1.58 2.14 0.00 -2.94 0.00 0.00 177.10 174.77 2iqf h ALA 206 N -0.13 1.69 -0.00 3.54 0.00 -1.88 -1.33 119.26 121.15 2iqf h ALA 206 Ca -0.33 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 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 0.07 -0.02 1.63 0.00 0.00 0.00 179.25 181.33 2iqf n LYS 207 N -4.16 0.71 -0.92 0.00 5.02 -1.26 -4.92 118.16 112.63 2iqf n LYS 207 Ca -0.03 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2iqf n LYS 207 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2iqf n LYS 207 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2iqf n GLY 208 N 1.19 0.47 3.76 0.72 0.00 -0.50 -5.05 105.19 105.78 2iqf n GLY 208 Ca 0.18 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.28 4.75 -0.13 1.61 2.02 -1.26 -4.83 118.70 119.58 2iqf s GLU 209 Ca 0.00 1.38 -0.04 0.00 0.02 0.00 0.00 54.97 56.33 2iqf s GLU 209 Cb 0.00 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 31.00 2iqf s GLU 209 CO 0.00 0.49 0.02 0.50 0.02 0.00 0.00 175.26 176.29 2iqf s ARG 210 N -1.32 3.44 0.03 1.61 3.52 -1.26 -2.04 118.95 122.94 2iqf s ARG 210 Ca 0.41 -0.40 0.08 0.00 -0.13 0.00 0.00 55.73 55.69 2iqf s ARG 210 Cb -0.24 -2.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.16 2iqf s ARG 210 CO 0.29 0.49 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.99 2iqf s PHE 211 N -0.27 1.97 0.26 5.12 0.40 -0.18 -3.45 117.98 121.82 2iqf s PHE 211 Ca 0.07 -0.38 -0.28 0.00 -0.60 0.00 0.00 56.93 55.74 2iqf s PHE 211 Cb -0.12 -1.19 -0.09 0.00 0.51 0.00 0.00 43.02 42.12 2iqf s PHE 211 CO 0.02 0.08 0.91 -1.58 0.70 0.00 0.00 175.22 175.35 2iqf s TRP 212 N -0.75 3.86 0.02 0.36 0.52 0.43 -0.25 118.94 123.13 2iqf s TRP 212 Ca 0.09 1.81 0.01 0.00 0.02 0.00 0.00 56.10 58.04 2iqf s TRP 212 Cb -0.09 -2.92 -0.01 0.00 -1.15 0.00 0.00 33.47 29.30 2iqf s TRP 212 CO 0.01 0.38 -0.05 0.54 0.02 0.00 0.00 176.95 177.85 2iqf s VAL 213 N -1.34 0.37 -0.08 4.03 0.11 -0.23 -0.82 120.40 122.44 2iqf s VAL 213 Ca 0.44 -0.64 0.04 0.00 -2.93 0.00 0.00 61.98 58.89 2iqf s VAL 213 Cb -0.23 -0.40 -0.01 0.00 -1.53 0.00 0.00 36.38 34.21 2iqf s VAL 213 CO 0.28 -0.19 -0.22 -0.54 -3.33 0.00 0.00 175.10 171.10 2iqf s LYS 214 N -0.89 2.84 -0.18 1.54 -0.14 -0.79 -1.09 119.74 121.04 2iqf s LYS 214 Ca -0.06 -0.84 -0.09 0.00 -1.36 0.00 0.00 55.97 53.62 2iqf s LYS 214 Cb -0.06 -2.30 -0.05 0.00 -1.68 0.00 0.00 37.83 33.74 2iqf s LYS 214 CO -0.00 0.31 0.12 -0.06 -0.76 0.00 0.00 175.35 174.96 2iqf s PHE 215 N 0.03 3.42 -0.04 3.18 0.08 -1.26 -0.71 117.98 122.67 2iqf s PHE 215 Ca -0.08 0.32 0.04 0.00 0.12 0.00 0.00 56.93 57.34 2iqf s PHE 215 Cb -0.15 -2.09 -0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2iqf s PHE 215 CO 0.05 0.37 -0.17 -1.01 -0.10 0.00 0.00 175.22 174.37 2iqf s HIS 216 N 0.01 1.65 -0.26 0.36 3.76 0.03 -1.48 115.29 119.37 2iqf s HIS 216 Ca 0.09 -0.45 0.02 0.00 -0.15 0.00 0.00 55.06 54.56 2iqf s HIS 216 Cb -0.11 -1.11 0.07 0.00 1.11 0.00 0.00 32.58 32.53 2iqf s HIS 216 CO -0.00 -0.15 -0.06 -0.06 -0.85 0.00 0.00 174.74 173.63 2iqf s PHE 217 N 0.00 2.83 -0.25 1.40 0.40 0.13 -0.68 117.98 121.80 2iqf s PHE 217 Ca -0.03 -2.10 -0.14 0.00 -0.60 0.00 0.00 56.93 54.07 2iqf s PHE 217 Cb -0.11 -1.86 -0.04 0.00 0.51 0.00 0.00 43.02 41.52 2iqf s PHE 217 CO 0.02 -0.84 0.31 -1.01 0.70 0.00 0.00 175.22 174.40 2iqf s HIS 218 N 1.24 3.28 0.20 0.36 3.76 0.10 -0.62 115.29 123.62 2iqf s HIS 218 Ca -0.05 0.37 -0.32 0.00 -0.15 0.00 0.00 55.06 54.91 2iqf s HIS 218 Cb -0.19 -2.47 -0.11 0.00 1.11 0.00 0.00 32.58 30.91 2iqf s HIS 218 CO -0.07 -0.12 1.66 -0.08 -0.85 0.00 0.00 174.74 175.29 2iqf s THR 219 N 1.68 2.24 -2.31 1.30 -1.32 -1.26 -0.70 115.64 115.27 2iqf s THR 219 Ca 0.13 0.17 0.27 0.00 -1.21 0.00 0.00 61.69 61.05 2iqf s THR 219 Cb -0.15 -3.11 0.62 0.00 -1.51 0.00 0.00 72.50 68.34 2iqf s THR 219 CO 0.09 0.01 1.82 0.23 -2.21 0.00 0.00 174.62 174.56 2iqf n MET 220 N 3.90 1.47 0.00 7.08 2.81 -0.23 -3.31 117.12 128.84 2iqf n MET 220 Ca 0.15 -0.69 0.12 0.00 -1.81 0.00 0.00 57.70 55.47 2iqf n MET 220 Cb 0.36 -1.46 0.19 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.14 1.60 0.00 0.03 3.00 -1.26 -4.98 117.38 115.62 2iqf n GLN 221 Ca 0.19 -1.21 0.00 0.00 -0.01 0.00 0.00 57.00 55.97 2iqf n GLN 221 Cb 0.27 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 29.04 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 1.34 -0.97 3.67 1.08 0.00 -1.21 -4.92 105.19 104.18 2iqf n GLY 222 Ca 0.13 -1.34 -0.43 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.80 4.18 0.01 1.61 1.01 -1.26 -4.40 120.40 119.75 2iqf s VAL 223 Ca 0.00 1.47 -0.01 0.00 0.00 0.00 0.00 61.98 63.44 2iqf s VAL 223 Cb 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2iqf s VAL 223 CO 0.00 -0.07 -0.00 -0.54 0.00 0.00 0.00 175.10 174.49 2iqf s LYS 224 N 2.94 0.28 0.28 2.72 1.02 -0.84 -5.03 119.74 121.11 2iqf s LYS 224 Ca 0.57 -0.47 0.06 0.00 0.02 0.00 0.00 55.97 56.15 2iqf s LYS 224 Cb -0.24 0.10 -0.06 0.00 -0.52 0.00 0.00 37.83 37.11 2iqf s LYS 224 CO 0.19 -0.05 -0.04 -3.38 -0.92 0.00 0.00 175.35 171.15 2iqf s HIS 225 N -1.18 1.94 -0.05 3.18 -3.43 -1.26 -0.88 115.29 113.61 2iqf s HIS 225 Ca -0.13 -0.73 0.01 0.00 -0.80 0.00 0.00 55.06 53.41 2iqf s HIS 225 Cb -0.08 -1.12 -0.03 0.00 -1.43 0.00 0.00 32.58 29.91 2iqf s HIS 225 CO -0.01 0.24 -0.06 -0.51 -2.00 0.00 0.00 174.74 172.40 2iqf s LEU 226 N -3.44 3.19 0.85 5.38 1.43 0.18 -4.46 118.68 121.81 2iqf s LEU 226 Ca 0.30 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.23 2iqf s LEU 226 Cb 0.04 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.62 2iqf s LEU 226 CO 0.12 0.34 1.14 0.42 0.23 0.00 0.00 176.35 178.59 2iqf s THR 227 N -0.88 2.31 0.25 5.49 -4.23 -1.26 -4.61 115.64 112.72 2iqf s THR 227 Ca 0.14 0.10 -0.04 0.00 -1.18 0.00 0.00 61.69 60.71 2iqf s THR 227 Cb -0.11 -2.93 0.22 0.00 1.34 0.00 0.00 72.50 71.02 2iqf s THR 227 CO 0.03 -0.13 1.82 0.78 -0.54 0.00 0.00 174.62 176.59 2iqf h ASN 228 N -1.26 0.75 -0.23 3.99 2.35 -1.99 -0.93 115.58 118.25 2iqf h ASN 228 Ca -0.48 0.04 -0.16 0.00 -0.55 0.00 0.00 56.30 55.15 2iqf h ASN 228 Cb 1.31 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.58 2iqf h ASN 228 CO 0.63 0.44 -0.46 -0.33 -1.65 0.00 0.00 177.43 176.05 2iqf h GLU 229 N 0.86 0.72 -0.63 0.81 3.07 -1.99 -1.72 114.58 115.70 2iqf h GLU 229 Ca 0.40 -0.47 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 2iqf h GLU 229 Cb 0.32 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2iqf h GLU 229 CO -0.23 1.09 0.36 0.93 -1.40 0.00 0.00 179.01 179.76 2iqf h GLU 230 N 0.45 0.87 -0.26 2.33 5.08 -1.84 -2.04 114.58 119.17 2iqf h GLU 230 Ca 0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2iqf h GLU 230 Cb 1.07 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 2iqf h GLU 230 CO 0.10 0.65 0.12 0.00 -1.00 0.00 0.00 179.01 178.88 2iqf h ALA 231 N 1.18 0.34 -0.79 3.43 0.00 -1.09 -2.11 119.26 120.22 2iqf h ALA 231 Ca 0.22 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.21 2iqf h ALA 231 Cb 0.02 -0.10 -0.11 0.00 0.00 0.00 0.00 17.79 17.59 2iqf h ALA 231 CO -0.04 -0.08 0.25 0.00 0.00 0.00 0.00 179.25 179.38 2iqf h ALA 232 N 0.97 1.11 -0.15 0.00 0.00 -1.21 0.58 119.26 120.55 2iqf h ALA 232 Ca 0.09 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2iqf h ALA 232 Cb 0.14 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2iqf h ALA 232 CO -0.01 -0.32 -0.43 0.93 0.00 0.00 0.00 179.25 179.42 2iqf h GLU 233 N 0.33 0.36 0.00 0.00 4.39 -0.91 -2.51 114.58 116.24 2iqf h GLU 233 Ca 0.46 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.98 2iqf h GLU 233 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2iqf h GLU 233 CO -0.51 0.73 -0.00 0.82 -1.16 0.00 0.00 179.01 178.89 2iqf h ILE 234 N 0.30 1.33 -0.90 3.13 2.04 -0.76 -3.28 117.51 119.37 2iqf h ILE 234 Ca 0.02 -1.00 0.11 0.00 1.00 0.00 0.00 64.86 65.00 2iqf h ILE 234 Cb 0.88 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.89 2iqf h ILE 234 CO 0.07 0.26 0.53 0.03 0.00 0.00 0.00 178.15 179.04 2iqf h ARG 235 N -0.43 0.82 0.00 2.37 3.08 -0.79 -1.04 114.38 118.39 2iqf h ARG 235 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2iqf h ARG 235 Cb 0.43 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2iqf h ARG 235 CO 0.00 0.54 -0.04 1.57 -1.07 0.00 0.00 179.97 180.97 2iqf h LYS 236 N 0.84 0.00 0.00 0.04 2.10 -1.51 -2.93 116.57 115.11 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 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2iqf h LYS 236 CO -0.27 0.04 -0.35 0.72 -2.00 0.00 0.00 179.45 177.59 2iqf n HIS 237 N -3.23 0.00 -3.29 0.07 8.25 -0.98 -4.95 115.22 111.09 2iqf n HIS 237 Ca -0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.37 2iqf n HIS 237 Cb 0.24 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.64 0.02 0.00 0.41 2.15 -0.43 -4.99 116.67 112.19 2iqf s ASP 238 Ca 0.02 -0.89 0.20 0.00 0.43 0.00 0.00 52.55 52.31 2iqf s ASP 238 Cb 0.04 1.20 1.20 0.00 -0.30 0.00 0.00 42.92 45.07 2iqf s ASP 238 CO 0.24 -0.27 1.59 -0.81 -0.17 0.00 0.00 175.17 175.75 2iqf n PRO 239 N 4.70 0.63 -0.42 4.34 -0.04 -1.24 -3.38 135.00 139.58 2iqf n PRO 239 Ca 0.08 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.61 2iqf n PRO 239 Cb 0.50 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.65 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 -1.00 1.93 -0.30 3.54 8.00 -1.26 -1.11 116.55 126.34 2iqf n ASP 240 Ca 0.15 -3.64 0.15 0.00 0.71 0.00 0.00 54.79 52.16 2iqf n ASP 240 Cb 0.07 -0.50 0.39 0.00 -0.02 0.00 0.00 41.12 41.07 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 0.67 0.64 0.66 -2.24 4.64 -1.94 -0.88 113.55 115.09 2iqf h SER 241 Ca 0.00 0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 61.11 2iqf h SER 241 Cb 1.00 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.02 2iqf h SER 241 CO 0.00 0.26 -1.36 0.78 -0.87 0.00 0.00 176.83 175.65 2iqf h ASN 242 N 0.64 0.20 -0.21 4.97 2.35 -1.91 -1.22 115.58 120.41 2iqf h ASN 242 Ca 0.51 -0.27 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2iqf h ASN 242 Cb 0.94 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.23 2iqf h ASN 242 CO -0.27 1.22 0.11 -0.61 -1.65 0.00 0.00 177.43 176.23 2iqf h GLN 243 N 0.04 0.29 -0.27 0.81 5.75 -1.85 -1.93 115.11 117.94 2iqf h GLN 243 Ca -0.16 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.32 2iqf h GLN 243 Cb 1.93 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 30.40 2iqf h GLN 243 CO 0.14 0.29 0.13 -0.09 -2.65 0.00 0.00 178.83 176.66 2iqf h ARG 244 N 0.22 0.27 -0.26 1.69 2.43 -1.23 -0.99 114.38 116.50 2iqf h ARG 244 Ca 0.07 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 2iqf h ARG 244 Cb 0.09 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 2iqf h ARG 244 CO -0.01 0.18 0.00 0.22 -1.51 0.00 0.00 179.97 178.85 2iqf h ASP 245 N 0.28 -0.10 -0.01 -3.80 3.58 -1.15 -1.19 116.42 114.03 2iqf h ASP 245 Ca 0.11 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 2iqf h ASP 245 Cb 0.03 0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 2iqf h ASP 245 CO -0.08 -0.02 -0.02 0.25 -2.88 0.00 0.00 179.24 176.50 2iqf h LEU 246 N 0.08 0.03 -0.40 2.28 5.85 -1.27 -0.48 115.31 121.40 2iqf h LEU 246 Ca 0.12 -0.55 0.06 0.00 0.84 0.00 0.00 57.88 58.35 2iqf h LEU 246 Cb 0.16 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 2iqf h LEU 246 CO -0.20 0.57 0.08 0.15 -0.34 0.00 0.00 178.44 178.70 2iqf h PHE 247 N -0.52 0.12 -0.45 1.25 3.04 -1.19 -2.19 116.94 117.00 2iqf h PHE 247 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 2iqf h PHE 247 Cb 0.57 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.07 2iqf h PHE 247 CO 0.12 0.01 0.03 -0.44 -2.02 0.00 0.00 178.31 176.01 2iqf h ASP 248 N 0.20 0.76 -0.22 0.41 3.32 -1.21 0.67 116.42 120.36 2iqf h ASP 248 Ca 0.19 -0.29 0.04 0.00 0.02 0.00 0.00 57.03 56.99 2iqf h ASP 248 Cb 0.23 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.54 2iqf h ASP 248 CO -0.25 0.86 -0.04 0.00 -1.72 0.00 0.00 179.24 178.09 2iqf h ALA 249 N 0.93 0.16 -0.59 3.45 0.00 -0.89 -1.59 119.26 120.72 2iqf h ALA 249 Ca 0.13 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 2iqf h ALA 249 Cb 0.45 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2iqf h ALA 249 CO 0.02 -0.46 0.03 0.82 0.00 0.00 0.00 179.25 179.65 2iqf h ILE 250 N 0.02 1.26 -0.44 0.00 2.04 -1.28 0.21 117.51 119.32 2iqf h ILE 250 Ca 0.10 -1.10 0.02 0.00 1.00 0.00 0.00 64.86 64.88 2iqf h ILE 250 Cb 0.15 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2iqf h ILE 250 CO -0.21 0.40 0.29 0.00 0.00 0.00 0.00 178.15 178.64 2iqf h ALA 251 N 0.99 1.75 -0.32 1.87 0.00 -0.63 -1.67 119.26 121.24 2iqf h ALA 251 Ca 0.17 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2iqf h ALA 251 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2iqf h ALA 251 CO 0.02 0.21 0.00 2.89 0.00 0.00 0.00 179.25 182.38 2iqf n ARG 252 N -4.48 2.17 -1.01 0.00 1.85 -0.62 -4.92 116.66 109.65 2iqf n ARG 252 Ca 0.04 -1.77 -0.01 0.00 -1.00 0.00 0.00 57.85 55.12 2iqf n ARG 252 Cb 0.10 -1.45 -0.00 0.00 -1.05 0.00 0.00 32.46 30.06 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 1.34 0.47 2.84 2.89 0.00 -0.63 -4.96 105.19 107.15 2iqf n GLY 253 Ca 0.18 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 0.73 5.60 -4.68 1.61 2.03 0.69 -4.98 116.55 117.55 2iqf n ASP 254 Ca -0.01 -3.17 -0.42 0.00 0.52 0.00 0.00 54.79 51.71 2iqf n ASP 254 Cb 0.03 -1.43 -0.03 0.00 -0.72 0.00 0.00 41.12 38.98 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 -0.34 2.74 0.36 -0.67 4.12 -1.26 -4.35 117.35 117.95 2iqf s TYR 255 Ca 0.39 0.77 -0.26 0.00 0.02 0.00 0.00 57.07 58.00 2iqf s TYR 255 Cb 0.10 -3.67 -0.09 0.00 -1.52 0.00 0.00 41.96 36.78 2iqf s TYR 255 CO 0.01 -2.51 1.06 -1.25 0.02 0.00 0.00 175.55 172.89 2iqf s PRO 256 N 2.76 4.32 0.10 -1.71 0.04 -1.24 -4.83 135.00 134.44 2iqf s PRO 256 Ca 0.64 1.61 0.07 0.00 0.04 0.00 0.00 61.00 63.35 2iqf s PRO 256 Cb -0.30 -2.76 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2iqf s PRO 256 CO 0.25 -0.02 -0.17 0.15 0.04 0.00 0.00 177.00 177.25 2iqf s LYS 257 N -2.14 1.02 0.00 4.56 1.02 -1.26 -1.16 119.74 121.79 2iqf s LYS 257 Ca 0.53 -1.15 0.02 0.00 0.02 0.00 0.00 55.97 55.40 2iqf s LYS 257 Cb -0.25 -1.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.95 2iqf s LYS 257 CO 0.32 0.24 -0.08 -1.58 -0.92 0.00 0.00 175.35 173.33 2iqf s TRP 258 N -1.54 0.70 -0.23 3.18 0.51 -0.56 -1.07 118.94 119.93 2iqf s TRP 258 Ca 0.06 -0.19 -0.16 0.00 -2.12 0.00 0.00 56.10 53.68 2iqf s TRP 258 Cb -0.08 -0.44 -0.04 0.00 -0.81 0.00 0.00 33.47 32.10 2iqf s TRP 258 CO 0.04 -0.02 0.44 0.21 -0.51 0.00 0.00 176.95 177.11 2iqf s LYS 259 N -0.44 4.13 -0.21 4.98 2.20 0.13 -0.71 119.74 129.82 2iqf s LYS 259 Ca 0.01 0.23 -0.25 0.00 -0.36 0.00 0.00 55.97 55.60 2iqf s LYS 259 Cb -0.04 -3.59 -0.01 0.00 -1.51 0.00 0.00 37.83 32.68 2iqf s LYS 259 CO -0.00 -0.16 0.82 -1.17 -0.36 0.00 0.00 175.35 174.48 2iqf s LEU 260 N 1.70 4.13 0.13 5.43 2.96 0.85 -0.72 118.68 133.16 2iqf s LEU 260 Ca 0.20 1.09 0.09 0.00 -0.22 0.00 0.00 54.13 55.28 2iqf s LEU 260 Cb -0.15 -3.20 -0.04 0.00 0.50 0.00 0.00 46.19 43.30 2iqf s LEU 260 CO 0.09 -0.45 -0.20 -0.94 -1.32 0.00 0.00 176.35 173.52 2iqf s SER 261 N 1.25 2.64 0.15 3.68 1.04 0.14 -0.15 113.70 122.44 2iqf s SER 261 Ca 0.36 -0.75 0.10 0.00 0.48 0.00 0.00 55.95 56.14 2iqf s SER 261 Cb -0.16 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.77 2iqf s SER 261 CO 0.10 0.03 -0.24 0.27 0.98 0.00 0.00 173.24 174.38 2iqf s ILE 262 N -1.46 2.12 -0.05 -1.02 -4.36 -1.26 -0.79 121.20 114.38 2iqf s ILE 262 Ca 0.10 -1.82 -0.04 0.00 -0.26 0.00 0.00 60.65 58.64 2iqf s ILE 262 Cb -0.09 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.66 2iqf s ILE 262 CO 0.05 -0.05 0.15 -1.10 0.24 0.00 0.00 174.94 174.23 2iqf s GLN 263 N -2.30 3.38 -0.09 0.37 -0.21 0.11 -4.34 119.66 116.59 2iqf s GLN 263 Ca 0.15 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.26 2iqf s GLN 263 Cb -0.09 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.85 2iqf s GLN 263 CO 0.07 0.71 -0.11 0.08 -2.12 0.00 0.00 175.29 173.92 2iqf s VAL 264 N -1.20 1.12 -0.17 1.09 1.01 -1.26 -1.88 120.40 119.10 2iqf s VAL 264 Ca 0.22 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2iqf s VAL 264 Cb -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.22 2iqf s VAL 264 CO 0.13 0.37 -0.17 -0.32 0.00 0.00 0.00 175.10 175.11 2iqf s MET 265 N 1.08 2.63 0.45 2.72 0.00 0.00 -4.96 119.30 121.23 2iqf s MET 265 Ca -0.07 -0.76 -0.23 0.00 0.00 0.00 0.00 55.69 54.63 2iqf s MET 265 Cb -0.14 -2.41 -0.10 0.00 0.00 0.00 0.00 34.83 32.18 2iqf s MET 265 CO -0.01 -0.26 0.92 -2.30 0.00 0.00 0.00 175.02 173.37 2iqf n PRO 266 N 4.67 1.15 -0.19 4.11 -0.02 -1.26 -0.43 135.00 143.02 2iqf n PRO 266 Ca -0.19 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2iqf n PRO 266 Cb 0.49 -1.98 0.10 0.00 -0.02 0.00 0.00 33.50 32.09 2iqf n PRO 266 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2iqf h GLU 267 N 1.23 0.19 0.00 -0.52 4.81 -1.92 -1.60 114.58 116.77 2iqf h GLU 267 Ca -0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2iqf h GLU 267 Cb 1.35 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2iqf h GLU 267 CO 0.55 0.13 0.00 0.93 -0.73 0.00 0.00 179.01 179.88 2iqf h GLU 268 N 0.20 0.00 -0.96 1.92 5.08 -1.89 -2.88 114.58 116.04 2iqf h GLU 268 Ca 0.30 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.94 2iqf h GLU 268 Cb 0.47 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2iqf h GLU 268 CO -0.43 0.00 0.68 -0.44 -1.00 0.00 0.00 179.01 177.82 2iqf h ASP 269 N 0.00 0.07 -0.10 1.42 5.19 -1.61 -2.91 116.42 118.48 2iqf h ASP 269 Ca 0.00 0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.45 2iqf h ASP 269 Cb 0.80 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.30 2iqf h ASP 269 CO 0.00 0.02 0.07 0.00 -3.12 0.00 0.00 179.24 176.21 2iqf h ALA 270 N 1.54 2.07 0.00 3.45 0.00 -1.64 -2.00 119.26 122.68 2iqf h ALA 270 Ca 0.47 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 2iqf h ALA 270 Cb 1.75 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2iqf h ALA 270 CO -0.04 -0.10 -0.19 -0.22 0.00 0.00 0.00 179.25 178.70 2iqf h LYS 271 N 0.02 0.00 0.00 0.00 3.64 -1.54 -3.31 116.57 115.38 2iqf h LYS 271 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2iqf h LYS 271 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2iqf h LYS 271 CO -0.00 0.19 0.00 1.63 -2.27 0.00 0.00 179.45 178.99 2iqf n LYS 272 N -3.41 -0.60 -1.76 1.90 4.76 -1.01 -4.96 118.16 113.08 2iqf n LYS 272 Ca -0.00 -0.41 -0.41 0.00 -2.87 0.00 0.00 58.31 54.62 2iqf n LYS 272 Cb 0.38 -0.87 0.01 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.02 2.75 0.38 2.13 9.36 -0.78 -4.83 117.16 126.15 2iqf n TYR 273 Ca 0.00 0.46 0.11 0.00 3.32 0.00 0.00 57.90 61.79 2iqf n TYR 273 Cb 0.08 -2.48 0.48 0.00 -0.63 0.00 0.00 39.34 36.79 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 0.19 0.18 -4.99 2.98 1.85 -1.26 -4.49 116.66 111.11 2iqf n ARG 274 Ca 0.03 0.43 -0.32 0.00 -1.00 0.00 0.00 57.85 56.99 2iqf n ARG 274 Cb 0.40 -1.85 -0.14 0.00 -1.05 0.00 0.00 32.46 29.81 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 -3.31 2.62 -0.36 2.89 0.40 -1.26 -5.07 117.98 113.88 2iqf s PHE 275 Ca 0.04 -0.33 -0.38 0.00 -0.60 0.00 0.00 56.93 55.66 2iqf s PHE 275 Cb 0.09 -1.63 -0.14 0.00 0.51 0.00 0.00 43.02 41.85 2iqf s PHE 275 CO 0.36 0.06 2.07 1.58 0.70 0.00 0.00 175.22 179.99 2iqf n HIS 276 N 2.54 1.62 0.96 0.36 -0.00 -1.26 -4.81 115.22 114.64 2iqf n HIS 276 Ca -0.17 0.45 0.11 0.00 -0.00 0.00 0.00 57.72 58.11 2iqf n HIS 276 Cb 0.52 -2.46 0.55 0.00 -0.00 0.00 0.00 29.99 28.60 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 7.33 0.17 -0.11 1.57 -0.02 -1.26 -3.20 135.00 139.48 2iqf n PRO 277 Ca 0.40 0.08 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 2iqf n PRO 277 Cb 0.14 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.24 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 -1.39 0.00 -3.51 6.00 3.72 -1.26 -4.66 117.46 116.36 2iqf n PHE 278 Ca 0.08 -0.88 -0.42 0.00 -0.05 0.00 0.00 57.45 56.19 2iqf n PHE 278 Cb 0.23 -0.14 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.60 5.98 0.00 4.37 3.68 -1.20 -4.24 116.67 122.66 2iqf s ASP 279 Ca 0.27 -0.93 0.25 0.00 2.13 0.00 0.00 52.55 54.28 2iqf s ASP 279 Cb 0.24 -2.11 1.46 0.00 -1.45 0.00 0.00 42.92 41.06 2iqf s ASP 279 CO 0.03 -0.43 1.86 0.55 0.13 0.00 0.00 175.17 177.31 2iqf n VAL 280 N 5.10 0.05 1.45 1.11 3.14 -1.26 -1.02 118.33 126.90 2iqf n VAL 280 Ca -0.11 0.01 0.08 0.00 -2.96 0.00 0.00 64.34 61.36 2iqf n VAL 280 Cb 0.47 -0.61 0.33 0.00 -1.06 0.00 0.00 33.84 32.96 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 -1.06 0.18 -4.21 1.55 -2.24 -1.26 -1.07 114.28 106.18 2iqf n THR 281 Ca 0.18 -0.24 -0.16 0.00 -2.27 0.00 0.00 64.05 61.56 2iqf n THR 281 Cb 0.11 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.82 0.94 0.42 -0.78 1.02 -0.19 -4.78 119.74 114.55 2iqf s LYS 282 Ca 0.25 -1.21 0.08 0.00 0.02 0.00 0.00 55.97 55.11 2iqf s LYS 282 Cb 0.13 -0.72 -0.02 0.00 -0.52 0.00 0.00 37.83 36.69 2iqf s LYS 282 CO 0.20 0.13 0.36 0.96 -0.92 0.00 0.00 175.35 176.07 2iqf s ILE 283 N -2.32 2.61 -0.18 2.17 -4.36 -1.26 -4.81 121.20 113.04 2iqf s ILE 283 Ca 0.08 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 58.93 2iqf s ILE 283 Cb -0.04 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.64 2iqf s ILE 283 CO 0.02 0.00 0.36 0.26 0.24 0.00 0.00 174.94 175.82 2iqf s TRP 284 N -2.49 3.41 0.34 1.37 0.51 -1.26 -4.98 118.94 115.84 2iqf s TRP 284 Ca 0.47 0.62 -0.29 0.00 -2.12 0.00 0.00 56.10 54.79 2iqf s TRP 284 Cb -0.02 -2.46 -0.10 0.00 -0.81 0.00 0.00 33.47 30.08 2iqf s TRP 284 CO 0.27 0.09 1.35 0.71 -0.51 0.00 0.00 176.95 178.86 2iqf s TYR 285 N 0.95 2.96 0.15 -1.98 1.51 -1.26 -4.87 117.35 114.81 2iqf s TYR 285 Ca 0.18 1.36 0.21 0.00 -1.01 0.00 0.00 57.07 57.81 2iqf s TYR 285 Cb -0.14 -3.75 0.79 0.00 -0.11 0.00 0.00 41.96 38.74 2iqf s TYR 285 CO 0.07 -2.10 1.77 1.79 -1.11 0.00 0.00 175.55 175.97 2iqf h THR 286 N 3.04 0.72 -0.97 -0.71 1.35 -1.98 -0.62 112.91 113.74 2iqf h THR 286 Ca -0.49 -1.33 0.30 0.00 -0.55 0.00 0.00 66.41 64.34 2iqf h THR 286 Cb 1.23 1.85 -0.15 0.00 -1.73 0.00 0.00 68.15 69.35 2iqf h THR 286 CO 0.66 0.30 0.49 -0.61 -0.25 0.00 0.00 175.52 176.10 2iqf h GLN 287 N 0.00 0.30 0.06 4.72 4.15 -1.99 -2.44 115.11 119.91 2iqf h GLN 287 Ca -0.00 -0.02 -0.29 0.00 0.77 0.00 0.00 58.65 59.11 2iqf h GLN 287 Cb 0.83 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.42 2iqf h GLN 287 CO 0.04 0.20 -1.60 -0.44 -1.93 0.00 0.00 178.83 175.11 2iqf h ASP 288 N 0.31 0.20 -3.28 -0.69 3.45 -1.71 -3.44 116.42 111.27 2iqf h ASP 288 Ca 0.68 -0.72 -0.60 0.00 0.43 0.00 0.00 57.03 56.83 2iqf h ASP 288 Cb 1.51 -0.07 -0.40 0.00 -0.56 0.00 0.00 39.33 39.81 2iqf h ASP 288 CO -0.61 1.66 -0.76 -0.31 -1.57 0.00 0.00 179.24 177.65 2iqf s TYR 289 N -2.45 1.74 0.65 4.55 2.02 -0.32 -5.07 117.35 118.46 2iqf s TYR 289 Ca -0.26 -2.10 -0.18 0.00 -0.37 0.00 0.00 57.07 54.16 2iqf s TYR 289 Cb 0.06 -1.72 -0.01 0.00 -0.40 0.00 0.00 41.96 39.89 2iqf s TYR 289 CO 0.68 -0.82 1.28 -2.14 -1.57 0.00 0.00 175.55 172.98 2iqf s PRO 290 N 0.86 2.57 0.00 -1.71 0.02 -0.93 -4.16 135.00 131.66 2iqf s PRO 290 Ca 0.15 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.20 2iqf s PRO 290 Cb -0.22 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2iqf s PRO 290 CO -0.08 -1.57 0.00 1.28 -0.33 0.00 0.00 177.00 176.30 2iqf n LEU 291 N -1.91 0.00 -4.26 -5.54 4.77 -1.26 -4.54 117.00 104.27 2iqf n LEU 291 Ca 0.16 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.84 2iqf n LEU 291 Cb 0.48 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.41 2iqf n LEU 291 CO 0.47 -1.09 -0.55 -0.70 -1.33 0.00 0.00 177.39 174.18 2iqf s GLU 293 N -3.00 2.14 0.00 3.23 2.12 -1.26 -4.91 118.70 117.02 2iqf s GLU 293 Ca 0.00 -0.85 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2iqf s GLU 293 Cb 0.00 -1.94 0.00 0.00 0.26 0.00 0.00 34.13 32.45 2iqf s GLU 293 CO 0.00 0.44 0.00 0.28 -0.54 0.00 0.00 175.26 175.44 2iqf n VAL 294 N 2.71 0.00 -3.75 3.70 0.31 0.78 -4.64 118.33 117.44 2iqf n VAL 294 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2iqf n VAL 294 Cb 0.52 -1.20 0.01 0.00 -0.91 0.00 0.00 33.84 32.26 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 3.02 0.77 2.98 2.92 0.00 -1.06 -0.96 105.19 112.86 2iqf n GLY 295 Ca 0.00 -0.94 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.25 0.73 -0.11 -0.61 1.01 -0.14 -0.10 121.20 119.74 2iqf s ILE 296 Ca 0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2iqf s ILE 296 Cb -0.01 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 2iqf s ILE 296 CO 0.01 0.24 0.04 -0.69 0.00 0.00 0.00 174.94 174.54 2iqf s VAL 297 N 0.34 4.63 -0.12 2.92 1.01 0.11 -0.90 120.40 128.39 2iqf s VAL 297 Ca -0.05 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 61.83 2iqf s VAL 297 Cb -0.10 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.31 2iqf s VAL 297 CO 0.01 0.58 -0.17 -0.70 0.00 0.00 0.00 175.10 174.82 2iqf s GLU 298 N -0.69 2.47 -0.21 2.72 2.12 -0.23 -1.50 118.70 123.38 2iqf s GLU 298 Ca 0.11 -0.65 -0.19 0.00 0.36 0.00 0.00 54.97 54.61 2iqf s GLU 298 Cb -0.12 -2.07 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 2iqf s GLU 298 CO 0.02 -0.07 0.54 -0.51 -0.54 0.00 0.00 175.26 174.71 2iqf s LEU 299 N 0.98 4.13 0.00 2.70 1.43 -0.31 -0.80 118.68 126.81 2iqf s LEU 299 Ca -0.06 0.68 0.00 0.00 -1.03 0.00 0.00 54.13 53.72 2iqf s LEU 299 Cb -0.15 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.33 2iqf s LEU 299 CO -0.03 -0.22 0.36 -0.46 0.23 0.00 0.00 176.35 176.23 2iqf n ASN 300 N 4.99 0.00 -3.67 2.29 0.23 0.37 -3.63 115.26 115.84 2iqf n ASN 300 Ca -0.04 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.58 52.87 2iqf n ASN 300 Cb 0.50 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.00 0.14 0.14 -3.83 2.20 -0.78 -5.00 119.74 112.62 2iqf s LYS 301 Ca 0.00 0.71 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2iqf s LYS 301 Cb 0.00 -0.07 -0.07 0.00 -1.51 0.00 0.00 37.83 36.19 2iqf s LYS 301 CO 0.00 -0.27 1.02 -0.80 -0.36 0.00 0.00 175.35 174.94 2iqf s ASN 302 N 2.28 7.40 0.63 1.43 0.01 -1.26 -0.58 114.94 124.85 2iqf s ASN 302 Ca 0.00 1.92 -0.18 0.00 -0.71 0.00 0.00 52.86 53.90 2iqf s ASN 302 Cb -0.12 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.90 2iqf s ASN 302 CO -0.08 -0.13 0.86 -2.65 -1.51 0.00 0.00 177.10 173.59 2iqf n PRO 303 N 2.61 0.70 0.11 -0.60 -0.02 -1.26 -4.93 135.00 131.62 2iqf n PRO 303 Ca 0.03 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.58 2iqf n PRO 303 Cb 0.48 -2.08 -0.13 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.22 0.51 -4.06 -0.52 5.08 -2.00 -3.44 114.58 110.36 2iqf h GLU 304 Ca -0.48 -0.74 -0.51 0.00 -1.00 0.00 0.00 59.36 56.63 2iqf h GLU 304 Cb 1.37 0.26 -0.38 0.00 0.50 0.00 0.00 28.75 30.50 2iqf h GLU 304 CO 0.49 1.33 -0.79 1.21 -1.00 0.00 0.00 179.01 180.25 2iqf s ASN 305 N -7.37 2.23 0.08 1.42 3.84 -1.26 -5.04 114.94 108.84 2iqf s ASN 305 Ca -0.08 -0.36 -0.26 0.00 0.21 0.00 0.00 52.86 52.37 2iqf s ASN 305 Cb 0.06 -0.76 -0.16 0.00 -0.55 0.00 0.00 41.25 39.84 2iqf s ASN 305 CO 0.92 -0.16 1.69 0.22 -2.79 0.00 0.00 177.10 176.98 2iqf h TYR 306 N 8.20 -0.26 -0.28 0.43 3.20 -1.98 -2.35 116.97 123.93 2iqf h TYR 306 Ca -0.26 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.62 2iqf h TYR 306 Cb 1.12 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2iqf h TYR 306 CO 0.46 -0.15 0.17 0.35 -1.64 0.00 0.00 178.16 177.35 2iqf h PHE 307 N -0.29 0.32 -0.01 -3.82 3.04 -1.96 0.24 116.94 114.45 2iqf h PHE 307 Ca -0.03 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2iqf h PHE 307 Cb 0.23 -0.10 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2iqf h PHE 307 CO -0.06 0.19 -0.53 0.00 -2.02 0.00 0.00 178.31 175.89 2iqf h ALA 308 N 1.12 1.09 0.00 2.41 0.00 -1.96 -1.18 119.26 120.75 2iqf h ALA 308 Ca 0.11 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2iqf h ALA 308 Cb -0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 2iqf h ALA 308 CO -0.05 0.67 -1.70 0.39 0.00 0.00 0.00 179.25 178.56 2iqf n GLU 309 N -3.91 2.22 -0.10 0.00 1.02 -0.89 -4.27 120.64 114.71 2iqf n GLU 309 Ca -0.01 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 56.96 2iqf n GLU 309 Cb 0.55 -1.26 -0.06 0.00 -0.02 0.00 0.00 31.44 30.65 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 -2.41 1.40 -0.32 2.62 0.31 0.75 -3.73 118.33 116.96 2iqf n VAL 310 Ca -0.17 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 2iqf n VAL 310 Cb 0.82 -2.04 0.13 0.00 -0.91 0.00 0.00 33.84 31.84 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 -0.87 1.21 -0.02 5.55 4.57 -1.07 -2.21 114.58 121.74 2iqf h GLU 311 Ca -0.30 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2iqf h GLU 311 Cb 1.20 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 2iqf h GLU 311 CO -0.18 0.84 0.00 1.04 -1.18 0.00 0.00 179.01 179.53 2iqf n GLN 312 N -4.36 1.40 -1.85 1.92 6.02 -0.47 -4.90 117.38 115.14 2iqf n GLN 312 Ca 0.10 -0.59 -0.41 0.00 -0.01 0.00 0.00 57.00 56.09 2iqf n GLN 312 Cb 0.06 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.84 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 -1.98 3.61 -0.08 -1.58 0.00 -0.83 -4.90 121.76 116.00 2iqf s ALA 313 Ca 0.40 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2iqf s ALA 313 Cb 0.21 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.75 2iqf s ALA 313 CO 0.33 -0.96 -0.06 0.00 0.00 0.00 0.00 175.76 175.07 2iqf s ALA 314 N -0.75 1.05 -0.04 0.00 0.00 -1.26 -5.04 121.76 115.72 2iqf s ALA 314 Ca 0.55 -0.33 0.07 0.00 0.00 0.00 0.00 51.96 52.24 2iqf s ALA 314 Cb -0.46 -0.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.92 2iqf s ALA 314 CO 0.56 -0.26 -0.24 -0.06 0.00 0.00 0.00 175.76 175.76 2iqf s PHE 315 N 1.45 2.42 -0.02 0.00 0.40 -1.26 -4.94 117.98 116.03 2iqf s PHE 315 Ca -0.01 -0.57 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 2iqf s PHE 315 Cb -0.13 -1.57 0.01 0.00 0.51 0.00 0.00 43.02 41.84 2iqf s PHE 315 CO -0.04 -0.12 -0.03 -0.08 0.70 0.00 0.00 175.22 175.66 2iqf s THR 316 N -0.37 0.31 0.63 0.64 -1.32 -1.26 -4.83 115.64 109.45 2iqf s THR 316 Ca 0.03 -0.07 0.31 0.00 -1.21 0.00 0.00 61.69 60.75 2iqf s THR 316 Cb -0.12 -0.33 0.35 0.00 -1.51 0.00 0.00 72.50 70.89 2iqf s THR 316 CO 0.02 0.14 2.02 -0.65 -2.21 0.00 0.00 174.62 173.93 2iqf h PRO 317 N 6.70 0.00 0.00 7.08 0.11 -1.84 -1.04 132.00 143.02 2iqf h PRO 317 Ca -0.35 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 2iqf h PRO 317 Cb 1.16 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 0.00 178.00 178.22 2iqf h ALA 318 N 1.55 1.15 -0.98 -0.75 0.00 -1.85 -3.39 119.26 114.99 2iqf h ALA 318 Ca 0.06 -0.05 -0.67 0.00 0.00 0.00 0.00 54.91 54.25 2iqf h ALA 318 Cb 0.62 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 2iqf h ALA 318 CO -0.00 0.07 1.99 -0.80 0.00 0.00 0.00 179.25 180.52 2iqf s ASN 319 N -5.79 6.79 0.57 0.00 0.01 -0.39 -4.92 114.94 111.19 2iqf s ASN 319 Ca -0.02 -2.29 0.05 0.00 -0.71 0.00 0.00 52.86 49.89 2iqf s ASN 319 Cb 0.12 -2.56 0.05 0.00 0.41 0.00 0.00 41.25 39.27 2iqf s ASN 319 CO 0.53 -1.21 0.44 0.68 -1.51 0.00 0.00 177.10 176.03 2iqf s VAL 320 N 4.17 1.54 0.08 1.60 -7.23 -1.26 -1.16 120.40 118.13 2iqf s VAL 320 Ca 0.51 -1.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.22 2iqf s VAL 320 Cb 0.03 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2iqf s VAL 320 CO 0.04 0.00 -0.05 0.68 -0.31 0.00 0.00 175.10 175.45 2iqf s VAL 321 N -2.81 0.51 0.10 1.32 -7.23 -1.26 -4.80 120.40 106.23 2iqf s VAL 321 Ca 0.33 -1.80 -0.36 0.00 -1.81 0.00 0.00 61.98 58.35 2iqf s VAL 321 Cb -0.03 -1.51 -0.17 0.00 0.56 0.00 0.00 36.38 35.24 2iqf s VAL 321 CO 0.21 -0.87 1.27 -2.65 -0.31 0.00 0.00 175.10 172.76 2iqf n PRO 322 N 0.17 1.07 0.00 4.82 -0.02 -1.26 -1.02 135.00 138.76 2iqf n PRO 322 Ca -0.14 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2iqf n PRO 322 Cb 0.60 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 2.33 0.63 2.90 -1.23 0.00 -1.26 -3.46 105.19 105.10 2iqf n GLY 323 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.17 0.44 0.00 -0.61 1.01 -0.19 -1.42 121.20 118.26 2iqf s ILE 324 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2iqf s ILE 324 Cb 0.00 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 42.02 2iqf s ILE 324 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2iqf n GLY 325 N 3.78 4.44 0.43 6.18 0.00 0.17 -4.00 105.19 116.19 2iqf n GLY 325 Ca -0.23 -1.48 -0.02 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.04 -4.01 1.61 0.53 -1.26 -1.80 117.16 109.19 2iqf n TYR 326 Ca 0.00 -0.22 -0.10 0.00 -1.02 0.00 0.00 57.90 56.56 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 -1.41 0.07 -0.03 7.72 1.04 -1.26 -3.27 113.70 116.56 2iqf s SER 327 Ca 0.07 -0.97 0.01 0.00 0.48 0.00 0.00 55.95 55.53 2iqf s SER 327 Cb -0.00 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.61 2iqf s SER 327 CO 0.04 -0.90 0.83 -0.81 0.98 0.00 0.00 173.24 173.39 2iqf n PRO 328 N -0.23 1.20 -1.76 4.02 -0.04 -1.26 -4.61 135.00 132.32 2iqf n PRO 328 Ca -0.05 -0.24 -0.42 0.00 -0.04 0.00 0.00 63.50 62.74 2iqf n PRO 328 Cb 0.63 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.38 6.39 0.38 3.54 -1.08 -1.26 -4.89 116.67 120.13 2iqf s ASP 329 Ca 0.04 2.44 0.06 0.00 -0.52 0.00 0.00 52.55 54.58 2iqf s ASP 329 Cb 0.03 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.73 2iqf s ASP 329 CO 0.01 -1.13 2.01 0.03 0.52 0.00 0.00 175.17 176.60 2iqf h ARG 330 N 10.85 0.57 0.16 4.34 3.08 -1.77 -0.07 114.38 131.54 2iqf h ARG 330 Ca -0.46 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.53 2iqf h ARG 330 Cb 1.22 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2iqf h ARG 330 CO 0.95 0.43 -0.08 0.52 -1.07 0.00 0.00 179.97 180.72 2iqf h MET 331 N 0.57 -0.21 -0.69 0.04 2.86 -1.89 -2.20 114.93 113.41 2iqf h MET 331 Ca 0.15 0.01 0.10 0.00 -2.06 0.00 0.00 59.70 57.90 2iqf h MET 331 Cb 0.04 0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 2iqf h MET 331 CO -0.02 0.17 0.32 1.25 1.06 0.00 0.00 176.91 179.69 2iqf h LEU 332 N -0.66 0.39 -0.50 1.22 5.85 -1.85 -1.58 115.31 118.17 2iqf h LEU 332 Ca -0.02 0.07 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2iqf h LEU 332 Cb 0.48 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 2iqf h LEU 332 CO 0.04 0.22 0.17 1.56 -0.34 0.00 0.00 178.44 180.08 2iqf h GLN 333 N 0.54 0.33 -0.39 1.25 1.08 -0.93 -1.84 115.11 115.15 2iqf h GLN 333 Ca 0.34 -0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.43 2iqf h GLN 333 Cb 0.39 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2iqf h GLN 333 CO -0.29 0.22 -0.14 0.78 -0.95 0.00 0.00 178.83 178.45 2iqf h GLY 334 N 0.34 0.77 2.00 3.46 0.00 -1.05 -2.75 103.07 105.85 2iqf h GLY 334 Ca 0.24 -0.59 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 2iqf h GLY 334 CO -0.25 0.54 -0.13 3.21 0.00 0.00 0.00 176.54 179.90 2iqf h ARG 335 N 0.64 0.00 -0.42 4.80 3.08 -0.50 -2.02 114.38 119.97 2iqf h ARG 335 Ca 0.11 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.22 2iqf h ARG 335 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 2iqf h ARG 335 CO 0.04 0.13 0.28 -0.07 -1.07 0.00 0.00 179.97 179.29 2iqf h LEU 336 N 0.00 0.24 0.00 3.04 3.38 -1.08 -2.91 115.31 117.99 2iqf h LEU 336 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2iqf h LEU 336 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2iqf h LEU 336 CO 0.02 0.16 -0.33 0.15 0.09 0.00 0.00 178.44 178.52 2iqf h PHE 337 N 0.28 0.00 -0.65 1.13 3.57 -1.50 -3.42 116.94 116.35 2iqf h PHE 337 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2iqf h PHE 337 Cb 0.38 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 2iqf h PHE 337 CO -0.00 0.57 0.40 1.03 -2.23 0.00 0.00 178.31 178.08 2iqf h SER 338 N -1.00 0.76 0.11 0.41 0.87 -1.25 -2.13 113.55 111.33 2iqf h SER 338 Ca -0.06 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 2iqf h SER 338 Cb 0.63 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 2iqf h SER 338 CO -0.04 0.57 -0.05 1.88 -0.53 0.00 0.00 176.83 178.66 2iqf h TYR 339 N 0.89 -0.14 -0.99 2.24 0.05 -1.78 0.39 116.97 117.62 2iqf h TYR 339 Ca 0.24 -0.00 0.10 0.00 0.05 0.00 0.00 58.73 59.11 2iqf h TYR 339 Cb -0.06 0.05 -0.08 0.00 1.01 0.00 0.00 36.73 37.65 2iqf h TYR 339 CO 0.00 0.32 0.63 0.78 -1.05 0.00 0.00 178.16 178.84 2iqf h GLY 340 N -0.69 1.57 0.91 3.88 0.00 -1.80 0.39 103.07 107.33 2iqf h GLY 340 Ca -0.02 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.87 2iqf h GLY 340 CO 0.03 0.23 -0.02 -1.80 0.00 0.00 0.00 176.54 174.97 2iqf h ASP 341 N 1.05 -0.05 0.04 0.19 3.58 -1.08 -2.32 116.42 117.82 2iqf h ASP 341 Ca 0.47 -0.08 -0.13 0.00 0.42 0.00 0.00 57.03 57.71 2iqf h ASP 341 Cb 0.37 0.01 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 2iqf h ASP 341 CO -0.22 0.05 -0.42 0.00 -2.88 0.00 0.00 179.24 175.76 2iqf h THR 342 N -0.15 1.31 -0.65 2.25 1.03 -0.65 -3.06 112.91 112.99 2iqf h THR 342 Ca -0.01 -1.59 0.06 0.00 -0.01 0.00 0.00 66.41 64.86 2iqf h THR 342 Cb 0.13 1.61 -0.05 0.00 -1.07 0.00 0.00 68.15 68.77 2iqf h THR 342 CO 0.01 0.49 0.35 0.45 -0.01 0.00 0.00 175.52 176.82 2iqf h HIS 343 N 0.39 0.65 -0.62 0.00 3.86 -0.71 0.91 115.15 119.63 2iqf h HIS 343 Ca 0.03 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 2iqf h HIS 343 Cb 0.91 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.15 2iqf h HIS 343 CO 0.03 0.31 0.32 0.00 0.86 0.00 0.00 177.93 179.45 2iqf h ARG 344 N 0.65 0.86 0.20 2.45 3.08 -1.33 -0.17 114.38 120.13 2iqf h ARG 344 Ca 0.29 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 2iqf h ARG 344 Cb 0.19 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.07 2iqf h ARG 344 CO -0.18 0.65 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.35 2iqf h TYR 345 N 0.87 -0.25 -0.23 3.04 3.20 -1.33 -1.94 116.97 120.33 2iqf h TYR 345 Ca 0.22 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 2iqf h TYR 345 Cb 0.05 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2iqf h TYR 345 CO 0.01 0.15 -0.11 -0.09 -1.64 0.00 0.00 178.16 176.47 2iqf h ARG 346 N -0.87 0.38 0.00 1.82 2.43 -0.70 -3.36 114.38 114.08 2iqf h ARG 346 Ca -0.03 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2iqf h ARG 346 Cb 0.51 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2iqf h ARG 346 CO 0.05 0.50 -0.63 1.28 -1.51 0.00 0.00 179.97 179.66 2iqf n LEU 347 N -4.24 0.00 0.00 3.80 4.77 -0.09 -4.47 117.00 116.77 2iqf n LEU 347 Ca 0.00 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2iqf n LEU 347 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2iqf n LEU 347 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2iqf n GLY 348 N 1.83 1.84 0.28 -0.72 0.00 -0.73 -4.58 105.19 103.11 2iqf n GLY 348 Ca 0.00 -1.77 0.10 0.00 0.00 0.00 0.00 46.02 44.35 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 0.96 -0.70 1.61 3.04 -1.86 -2.21 116.25 117.08 2iqf h VAL 349 Ca 0.00 -0.01 -0.35 0.00 -1.01 0.00 0.00 66.70 65.33 2iqf h VAL 349 Cb 0.00 0.93 -0.21 0.00 -2.01 0.00 0.00 31.29 30.00 2iqf h VAL 349 CO 0.00 0.00 0.44 0.59 -1.01 0.00 0.00 177.57 177.60 2iqf n ASN 350 N -4.51 3.60 0.30 3.17 3.02 -1.26 -4.51 115.26 115.08 2iqf n ASN 350 Ca -0.00 -3.13 0.16 0.00 -0.03 0.00 0.00 54.58 51.58 2iqf n ASN 350 Cb 0.18 -0.74 0.96 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.87 0.00 0.00 3.10 -0.00 -1.64 0.65 116.97 119.95 2iqf h TYR 351 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.16 2iqf h TYR 351 Cb 2.30 0.00 0.00 0.00 0.00 0.00 0.00 36.73 39.03 2iqf h TYR 351 CO 1.13 0.00 0.00 -2.30 -0.00 0.00 0.00 178.16 176.99 2iqf n PRO 352 N -3.75 0.02 0.00 0.10 -0.02 -1.26 -1.94 135.00 128.14 2iqf n PRO 352 Ca -0.03 0.33 0.12 0.00 -2.02 0.00 0.00 63.50 61.90 2iqf n PRO 352 Cb 0.08 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.47 0.09 -2.19 -0.52 6.02 0.22 -3.34 117.38 116.20 2iqf n GLN 353 Ca 0.02 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 2iqf n GLN 353 Cb 0.10 -1.50 -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 -2.94 3.21 0.24 5.09 1.01 -0.82 -4.86 121.20 122.13 2iqf s ILE 354 Ca 0.13 0.95 -0.05 0.00 0.00 0.00 0.00 60.65 61.67 2iqf s ILE 354 Cb 0.18 -3.60 0.21 0.00 0.01 0.00 0.00 42.46 39.26 2iqf s ILE 354 CO 0.66 0.11 1.71 -0.65 0.00 0.00 0.00 174.94 176.77 2iqf h PRO 355 N 5.92 0.35 0.00 2.79 0.11 -1.89 0.51 132.00 139.79 2iqf h PRO 355 Ca -0.44 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2iqf h PRO 355 Cb 1.21 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2iqf h PRO 355 CO 0.81 0.23 -0.11 -0.24 -0.21 0.00 0.00 178.00 178.48 2iqf h VAL 356 N 0.36 0.95 0.00 3.15 3.04 -1.89 -2.55 116.25 119.30 2iqf h VAL 356 Ca 0.40 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2iqf h VAL 356 Cb 0.64 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 2iqf h VAL 356 CO -0.44 0.11 -0.53 0.59 -1.01 0.00 0.00 177.57 176.29 2iqf n ASN 357 N -4.22 0.53 -4.77 3.17 3.02 0.12 -4.95 115.26 108.17 2iqf n ASN 357 Ca -0.03 -0.11 -0.39 0.00 -0.03 0.00 0.00 54.58 54.03 2iqf n ASN 357 Cb 0.19 0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.55 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 -3.05 4.10 0.60 3.52 1.02 -0.91 -4.84 119.74 120.17 2iqf s LYS 358 Ca 0.10 1.89 -0.18 0.00 0.02 0.00 0.00 55.97 57.80 2iqf s LYS 358 Cb 0.16 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.71 2iqf s LYS 358 CO 0.70 -0.30 1.13 -1.25 -0.92 0.00 0.00 175.35 174.71 2iqf s PRO 359 N -2.21 3.08 0.04 -1.68 0.04 -1.26 -4.94 135.00 128.07 2iqf s PRO 359 Ca 0.56 1.55 0.23 0.00 0.04 0.00 0.00 61.00 63.37 2iqf s PRO 359 Cb -0.32 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.30 2iqf s PRO 359 CO 0.41 -1.06 1.04 0.54 0.04 0.00 0.00 177.00 177.97 2iqf n ARG 360 N -1.79 0.24 -2.92 4.56 3.00 -1.26 -4.94 116.66 113.54 2iqf n ARG 360 Ca 0.11 -0.01 -0.20 0.00 -0.01 0.00 0.00 57.85 57.75 2iqf n ARG 360 Cb 0.51 -1.57 0.02 0.00 0.00 0.00 0.00 32.46 31.42 2iqf n ARG 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2iqf n PRO 362 N -2.05 1.71 -3.84 0.00 -0.02 -1.26 -5.03 135.00 124.51 2iqf n PRO 362 Ca 0.06 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.05 2iqf n PRO 362 Cb 0.59 -2.55 -0.11 0.00 -0.02 0.00 0.00 33.50 31.41 2iqf n PRO 362 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2iqf s PHE 363 N -1.28 -0.07 -0.36 6.00 -0.12 -1.26 -4.96 117.98 115.93 2iqf s PHE 363 Ca 0.70 0.16 0.03 0.00 -0.05 0.00 0.00 56.93 57.78 2iqf s PHE 363 Cb -0.43 0.01 0.16 0.00 -0.63 0.00 0.00 43.02 42.13 2iqf s PHE 363 CO 0.50 -0.17 0.40 -1.01 -0.05 0.00 0.00 175.22 174.89 2iqf s HIS 364 N -0.58 -0.51 -0.00 3.49 0.09 -1.26 -5.10 115.29 111.41 2iqf s HIS 364 Ca -0.07 -0.56 -0.07 0.00 -0.00 0.00 0.00 55.06 54.36 2iqf s HIS 364 Cb -0.04 -0.32 -0.05 0.00 -0.00 0.00 0.00 32.58 32.17 2iqf s HIS 364 CO 0.01 -0.99 0.27 0.45 -0.00 0.00 0.00 174.74 174.48 2iqf s SER 365 N 1.65 6.52 0.00 1.40 0.15 -1.26 -4.99 113.70 117.17 2iqf s SER 365 Ca 0.15 0.60 0.24 0.00 0.70 0.00 0.00 55.95 57.65 2iqf s SER 365 Cb -0.14 -2.11 1.19 0.00 -1.71 0.00 0.00 66.02 63.26 2iqf s SER 365 CO -0.09 0.27 1.80 -1.54 1.20 0.00 0.00 173.24 174.89 2iqf n SER 366 N 1.26 0.00 -4.74 5.45 3.41 -1.26 -4.85 113.62 112.90 2iqf n SER 366 Ca -0.12 0.03 -0.35 0.00 -0.26 0.00 0.00 58.87 58.17 2iqf n SER 366 Cb 0.53 -0.32 0.07 0.00 -0.26 0.00 0.00 64.21 64.23 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 -2.64 4.60 0.02 4.04 0.01 -1.26 -4.81 113.70 113.66 2iqf s SER 367 Ca 0.21 2.32 -0.07 0.00 1.31 0.00 0.00 55.95 59.73 2iqf s SER 367 Cb 0.16 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.80 2iqf s SER 367 CO 0.38 -1.99 0.13 -0.13 0.41 0.00 0.00 173.24 172.04 2iqf s ARG 368 N -3.77 0.56 4.69 12.44 1.81 -1.26 -5.09 118.95 128.32 2iqf s ARG 368 Ca 0.74 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 54.17 2iqf s ARG 368 Cb -0.29 0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.44 2iqf s ARG 368 CO 0.41 -0.14 0.00 -0.25 -0.68 0.00 0.00 175.30 174.64 2iqf n ASP 369 N 1.06 0.00 -0.03 0.23 8.00 -1.26 -5.06 116.55 119.49 2iqf n ASP 369 Ca -0.21 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.30 2iqf n ASP 369 Cb 0.57 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.36 2.99 0.44 0.00 -1.26 -4.64 105.19 100.36 2iqf n GLY 370 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.24 0.00 -3.61 1.61 4.02 -1.26 -4.97 117.16 110.71 2iqf n TYR 371 Ca -0.00 -0.31 -0.02 0.00 -0.01 0.00 0.00 57.90 57.56 2iqf n TYR 371 Cb 0.01 -0.52 -0.06 0.00 -0.02 0.00 0.00 39.34 38.75 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 4.19 0.37 0.42 -0.72 2.00 -1.26 -4.40 119.66 120.26 2iqf s GLN 373 Ca 0.15 0.68 0.24 0.00 -2.00 0.00 0.00 55.36 54.44 2iqf s GLN 373 Cb 0.03 0.14 0.49 0.00 0.80 0.00 0.00 33.01 34.48 2iqf s GLN 373 CO 0.08 -0.09 1.66 -2.95 -0.50 0.00 0.00 175.29 173.50 2iqf h ASN 374 N 6.32 0.00 -0.43 6.67 7.08 -1.93 -3.48 115.58 129.81 2iqf h ASN 374 Ca -0.26 0.00 -0.09 0.00 -3.08 0.00 0.00 56.30 52.87 2iqf h ASN 374 Cb 1.18 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.40 2iqf h ASN 374 CO 0.18 0.00 -0.10 0.61 -2.08 0.00 0.00 177.43 176.04 2iqf n GLY 375 N 1.02 0.44 0.41 9.14 0.00 -1.26 -4.92 105.19 110.01 2iqf n GLY 375 Ca 0.04 -0.78 0.21 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.32 0.00 1.61 -0.00 -2.02 -1.21 116.97 115.68 2iqf h TYR 376 Ca -0.10 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.64 2iqf h TYR 376 Cb 0.71 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.34 2iqf h TYR 376 CO 0.12 0.10 0.00 2.48 -0.00 0.00 0.00 178.16 180.86 2iqf n TYR 377 N -4.43 0.00 0.00 0.10 0.18 -1.26 -4.98 117.16 106.78 2iqf n TYR 377 Ca 0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.95 2iqf n TYR 377 Cb 0.71 -0.37 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 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 0.73 3.15 0.68 -7.48 0.00 -0.46 -2.15 105.19 99.66 2iqf n GLY 378 Ca 0.09 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.26 2iqf n GLY 378 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2iqf n SER 379 N 3.80 2.05 -4.64 1.61 3.41 -1.26 -4.98 113.62 113.60 2iqf n SER 379 Ca 0.00 -1.77 -0.42 0.00 -0.26 0.00 0.00 58.87 56.42 2iqf n SER 379 Cb 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2iqf n SER 379 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2iqf n LEU 380 N 0.58 2.99 -4.58 1.04 7.94 -0.91 -4.90 117.00 119.16 2iqf n LEU 380 Ca 0.17 1.10 -0.41 0.00 -1.11 0.00 0.00 56.01 55.76 2iqf n LEU 380 Cb 0.39 -1.40 0.02 0.00 0.53 0.00 0.00 43.42 42.96 2iqf n LEU 380 CO 0.14 -1.10 0.47 0.00 -1.11 0.00 0.00 177.39 175.78 2iqf n GLN 381 N 0.28 1.12 -0.29 1.96 0.00 -1.26 -4.93 117.38 114.25 2iqf n GLN 381 Ca 0.08 0.40 0.08 0.00 0.00 0.00 0.00 57.00 57.57 2iqf n GLN 381 Cb 0.38 -1.94 0.19 0.00 0.00 0.00 0.00 30.24 28.87 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 0.50 2.89 -3.82 2.61 0.23 -1.26 -4.95 115.26 111.45 2iqf n ASN 382 Ca 0.10 -3.16 -0.09 0.00 -0.53 0.00 0.00 54.58 50.90 2iqf n ASN 382 Cb 0.40 -0.49 -0.06 0.00 -2.08 0.00 0.00 39.78 37.55 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 -2.91 0.10 0.05 -2.53 -0.85 -1.26 -4.88 117.35 105.07 2iqf s TYR 383 Ca 0.37 -0.49 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 2iqf s TYR 383 Cb 0.32 0.04 -0.03 0.00 0.38 0.00 0.00 41.96 42.67 2iqf s TYR 383 CO 0.04 -0.64 0.01 0.95 -1.52 0.00 0.00 175.55 174.40 2iqf s THR 384 N -3.87 0.18 0.92 -3.49 -4.23 -1.26 -4.74 115.64 99.15 2iqf s THR 384 Ca 0.07 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.01 2iqf s THR 384 Cb 0.03 -1.15 0.14 0.00 1.34 0.00 0.00 72.50 72.87 2iqf s THR 384 CO -0.08 -0.80 1.14 -2.16 -0.54 0.00 0.00 174.62 172.18 2iqf s PRO 385 N -3.20 1.05 -0.06 3.99 0.04 -1.26 -5.20 135.00 130.36 2iqf s PRO 385 Ca 0.00 0.28 -0.15 0.00 0.04 0.00 0.00 61.00 61.17 2iqf s PRO 385 Cb 0.03 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.77 2iqf s PRO 385 CO -0.07 -2.26 0.35 0.45 0.04 0.00 0.00 177.00 175.51 2iqf s SER 386 N -4.01 -0.28 0.08 6.66 0.15 -1.26 -5.01 113.70 110.03 2iqf s SER 386 Ca 0.64 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.89 2iqf s SER 386 Cb -0.15 0.47 0.75 0.00 -1.71 0.00 0.00 66.02 65.38 2iqf s SER 386 CO 0.54 -0.35 1.63 -1.20 1.20 0.00 0.00 173.24 175.05 2iqf n SER 387 N 1.77 0.49 -4.96 5.45 7.64 -1.26 -4.90 113.62 117.85 2iqf n SER 387 Ca -0.19 0.26 -0.23 0.00 1.01 0.00 0.00 58.87 59.73 2iqf n SER 387 Cb 0.56 -0.25 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 2iqf n SER 387 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2iqf s LEU 388 N -3.70 3.71 0.48 -3.43 1.43 -1.26 -5.05 118.68 110.86 2iqf s LEU 388 Ca 0.11 0.24 -0.22 0.00 -1.03 0.00 0.00 54.13 53.23 2iqf s LEU 388 Cb 0.16 -3.13 -0.09 0.00 0.03 0.00 0.00 46.19 43.16 2iqf s LEU 388 CO 0.63 -0.64 0.93 -2.65 0.23 0.00 0.00 176.35 174.85 2iqf n PRO 389 N -2.01 1.13 -3.10 1.29 -0.02 -1.26 -4.91 135.00 126.13 2iqf n PRO 389 Ca 0.01 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2iqf n PRO 389 Cb 0.58 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.29 -0.61 3.71 -1.23 0.00 -1.26 -4.98 105.19 102.11 2iqf n GLY 390 Ca 0.11 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2iqf n GLY 390 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2iqf s TYR 391 N -3.00 2.83 -0.19 1.61 1.51 -1.26 -4.99 117.35 113.86 2iqf s TYR 391 Ca 0.00 0.44 -0.02 0.00 -1.01 0.00 0.00 57.07 56.48 2iqf s TYR 391 Cb 0.00 -4.01 -0.01 0.00 -0.11 0.00 0.00 41.96 37.83 2iqf s TYR 391 CO 0.00 -3.87 -0.09 0.15 -1.11 0.00 0.00 175.55 170.63 2iqf s LYS 392 N 1.55 3.34 0.63 -0.62 -0.14 -1.26 -4.99 119.74 118.25 2iqf s LYS 392 Ca 0.73 -0.66 -0.18 0.00 -1.36 0.00 0.00 55.97 54.49 2iqf s LYS 392 Cb -0.45 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2iqf s LYS 392 CO 0.32 -0.07 1.25 -1.21 -0.76 0.00 0.00 175.35 174.88 2iqf s GLU 393 N 1.11 2.71 -0.75 1.68 2.02 -1.26 -5.01 118.70 119.20 2iqf s GLU 393 Ca 0.01 1.95 -0.08 0.00 0.02 0.00 0.00 54.97 56.87 2iqf s GLU 393 Cb -0.15 -1.88 0.19 0.00 0.10 0.00 0.00 34.13 32.40 2iqf s GLU 393 CO -0.02 -1.45 0.62 0.34 0.02 0.00 0.00 175.26 174.78 2iqf s ASP 394 N -1.52 5.98 0.31 -0.19 3.68 -1.26 -4.94 116.67 118.73 2iqf s ASP 394 Ca 0.80 -2.89 0.24 0.00 2.13 0.00 0.00 52.55 52.83 2iqf s ASP 394 Cb -0.34 -2.02 1.10 0.00 -1.45 0.00 0.00 42.92 40.22 2iqf s ASP 394 CO 0.37 -0.43 1.73 0.11 0.13 0.00 0.00 175.17 177.07 2iqf h LYS 395 N 7.24 0.00 0.00 4.34 1.57 -2.01 -2.10 116.57 125.60 2iqf h LYS 395 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2iqf h LYS 395 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 2iqf h LYS 395 CO 0.75 0.00 -0.03 0.66 -0.57 0.00 0.00 179.45 180.25 2iqf h SER 396 N 0.00 0.00 0.07 0.86 4.64 -2.05 -2.46 113.55 114.61 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 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2iqf h SER 396 CO 0.00 0.03 -0.02 0.00 -0.87 0.00 0.00 176.83 175.97 2iqf n ALA 397 N -2.13 2.66 -1.66 5.18 0.00 -0.79 -4.93 120.51 118.84 2iqf n ALA 397 Ca -0.01 -0.31 -0.44 0.00 0.00 0.00 0.00 53.44 52.68 2iqf n ALA 397 Cb 0.22 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.31 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 -0.55 1.92 -2.41 0.00 0.63 -0.93 -4.91 116.66 110.41 2iqf n ARG 398 Ca 0.20 0.68 -0.42 0.00 -0.92 0.00 0.00 57.85 57.39 2iqf n ARG 398 Cb 0.24 -2.26 -0.03 0.00 0.45 0.00 0.00 32.46 30.85 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 -0.05 7.09 0.67 6.15 3.68 -1.26 -5.00 116.67 127.94 2iqf s ASP 399 Ca 0.63 2.07 -0.17 0.00 2.13 0.00 0.00 52.55 57.20 2iqf s ASP 399 Cb -0.64 -2.59 -0.00 0.00 -1.45 0.00 0.00 42.92 38.24 2iqf s ASP 399 CO 0.56 -0.44 1.21 -2.65 0.13 0.00 0.00 175.17 173.98 2iqf n PRO 400 N 3.56 0.91 -1.46 4.34 -0.02 -1.26 -4.93 135.00 136.14 2iqf n PRO 400 Ca 0.08 0.37 -0.45 0.00 -2.02 0.00 0.00 63.50 61.47 2iqf n PRO 400 Cb 0.46 -2.45 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 -1.97 0.51 -4.01 -0.52 5.02 -1.26 -4.96 118.16 110.97 2iqf n LYS 401 Ca 0.15 0.18 -0.31 0.00 -2.02 0.00 0.00 58.31 56.31 2iqf n LYS 401 Cb 0.48 -1.34 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.14 3.11 -0.29 2.13 5.36 -1.26 -5.07 117.98 120.81 2iqf s PHE 402 Ca 0.62 -2.34 -0.27 0.00 -0.96 0.00 0.00 56.93 53.98 2iqf s PHE 402 Cb -0.79 -2.10 0.01 0.00 -0.34 0.00 0.00 43.02 39.80 2iqf s PHE 402 CO 0.58 -0.87 0.95 1.21 -1.46 0.00 0.00 175.22 175.63 2iqf s ASN 403 N 1.15 6.86 0.45 6.13 3.84 -1.26 -4.92 114.94 127.19 2iqf s ASN 403 Ca -0.02 0.98 0.30 0.00 0.21 0.00 0.00 52.86 54.33 2iqf s ASN 403 Cb -0.19 -2.49 1.17 0.00 -0.55 0.00 0.00 41.25 39.19 2iqf s ASN 403 CO -0.07 -0.72 1.88 -0.07 -2.79 0.00 0.00 177.10 175.33 2iqf h LEU 404 N 9.67 0.00 -2.48 3.21 3.38 -1.98 -1.44 115.31 125.67 2iqf h LEU 404 Ca -0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2iqf h LEU 404 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 2iqf h LEU 404 CO 0.96 0.00 0.02 0.00 0.09 0.00 0.00 178.44 179.51 2iqf h ALA 405 N 2.09 1.51 0.00 1.53 0.00 -1.92 -1.66 119.26 120.81 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 0.52 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2iqf h ALA 405 CO 0.00 -0.03 0.00 0.72 0.00 0.00 0.00 179.25 179.94 2iqf n HIS 406 N -3.78 0.45 0.00 0.00 8.25 -0.54 -3.95 115.22 115.64 2iqf n HIS 406 Ca -0.03 0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2iqf n HIS 406 Cb 0.10 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.42 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 -1.91 0.00 -3.95 1.59 -5.35 -0.71 -3.49 119.36 105.54 2iqf n ILE 407 Ca 0.02 -0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.27 2iqf n ILE 407 Cb 0.18 0.68 -0.03 0.00 -1.74 0.00 0.00 39.64 38.73 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 -0.71 1.73 -0.01 6.28 -1.05 -0.72 -4.65 118.70 119.58 2iqf s GLU 408 Ca 0.00 -1.27 0.10 0.00 -0.15 0.00 0.00 54.97 53.65 2iqf s GLU 408 Cb 0.00 0.52 -0.14 0.00 -0.44 0.00 0.00 34.13 34.08 2iqf s GLU 408 CO 0.00 -0.75 0.30 1.63 0.95 0.00 0.00 175.26 177.39 2iqf n LYS 409 N -0.44 1.75 -4.56 -4.83 5.02 -1.26 -4.28 118.16 109.57 2iqf n LYS 409 Ca -0.03 -0.05 -0.26 0.00 -2.02 0.00 0.00 58.31 55.95 2iqf n LYS 409 Cb 0.61 -1.12 -0.14 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.38 1.39 0.00 1.97 2.02 -1.26 -5.07 118.70 115.38 2iqf s GLU 410 Ca -0.01 -1.09 0.00 0.00 0.02 0.00 0.00 54.97 53.90 2iqf s GLU 410 Cb 0.07 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.69 2iqf s GLU 410 CO 0.41 0.40 0.32 1.19 0.02 0.00 0.00 175.26 177.60 2iqf n PHE 411 N 1.50 0.00 -2.19 1.61 3.01 -1.26 -5.05 117.46 115.08 2iqf n PHE 411 Ca -0.18 -0.04 -0.35 0.00 1.01 0.00 0.00 57.45 57.90 2iqf n PHE 411 Cb 0.53 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.00 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 -0.08 3.29 -0.18 -1.08 8.01 -1.26 -4.97 118.70 122.43 2iqf s GLU 412 Ca 0.00 1.55 -0.29 0.00 0.01 0.00 0.00 54.97 56.24 2iqf s GLU 412 Cb 0.00 -2.00 -0.01 0.00 -4.31 0.00 0.00 34.13 27.80 2iqf s GLU 412 CO 0.00 -0.89 1.29 0.08 0.01 0.00 0.00 175.26 175.75 2iqf s VAL 413 N -1.89 4.22 0.25 2.63 1.01 -1.26 -4.98 120.40 120.38 2iqf s VAL 413 Ca 0.71 1.46 -0.22 0.00 0.00 0.00 0.00 61.98 63.94 2iqf s VAL 413 Cb -0.23 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2iqf s VAL 413 CO 0.29 -0.17 0.79 0.86 0.00 0.00 0.00 175.10 176.87 2iqf s TRP 414 N 3.66 -0.15 -0.93 5.22 -0.00 -1.26 -5.07 118.94 120.41 2iqf s TRP 414 Ca 0.56 -0.28 -0.18 0.00 -0.00 0.00 0.00 56.10 56.20 2iqf s TRP 414 Cb -0.22 0.70 0.14 0.00 -0.00 0.00 0.00 33.47 34.09 2iqf s TRP 414 CO 0.17 -1.15 1.12 0.54 -0.00 0.00 0.00 176.95 177.63 2iqf s ASN 415 N -2.94 6.65 -0.28 5.86 4.22 -1.26 -5.03 114.94 122.15 2iqf s ASN 415 Ca 0.12 -2.10 -0.28 0.00 -2.14 0.00 0.00 52.86 48.46 2iqf s ASN 415 Cb -0.05 -2.39 0.01 0.00 1.28 0.00 0.00 41.25 40.10 2iqf s ASN 415 CO 0.06 -1.03 0.99 0.26 -2.04 0.00 0.00 177.10 175.34 2iqf s TRP 416 N 2.55 3.23 -0.17 1.54 0.52 -1.26 -4.97 118.94 120.39 2iqf s TRP 416 Ca 0.32 1.21 -0.30 0.00 0.02 0.00 0.00 56.10 57.36 2iqf s TRP 416 Cb -0.05 -3.42 -0.07 0.00 -1.15 0.00 0.00 33.47 28.78 2iqf s TRP 416 CO -0.09 -0.61 2.14 -3.47 0.02 0.00 0.00 176.95 174.94 2iqf n ASP 417 N 6.50 3.34 -0.11 2.95 2.03 -1.26 -4.82 116.55 125.17 2iqf n ASP 417 Ca 0.10 0.43 0.01 0.00 0.52 0.00 0.00 54.79 55.85 2iqf n ASP 417 Cb 0.47 -1.50 0.30 0.00 -0.72 0.00 0.00 41.12 39.66 2iqf n ASP 417 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2iqf h TYR 418 N 13.41 0.76 0.00 -0.67 -0.00 -1.93 -1.59 116.97 126.94 2iqf h TYR 418 Ca -0.42 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 58.30 2iqf h TYR 418 Cb 1.25 -0.25 -0.00 0.00 -0.00 0.00 0.00 36.73 37.73 2iqf h TYR 418 CO 0.94 0.53 -0.04 0.00 -0.00 0.00 0.00 178.16 179.59 2iqf h ARG 419 N 0.78 0.00 0.00 1.82 3.08 -1.88 -0.06 114.38 118.13 2iqf h ARG 419 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.12 2iqf h ARG 419 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 2iqf h ARG 419 CO -0.03 0.04 -0.65 0.00 -1.07 0.00 0.00 179.97 178.26 2iqf h ALA 420 N 1.96 0.68 0.05 0.04 0.00 -1.67 -3.23 119.26 117.09 2iqf h ALA 420 Ca -0.00 -0.59 -0.27 0.00 0.00 0.00 0.00 54.91 54.05 2iqf h ALA 420 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2iqf h ALA 420 CO 0.00 0.81 -1.36 0.22 0.00 0.00 0.00 179.25 178.92 2iqf h ASP 421 N 0.00 0.17 -2.83 0.00 1.82 -1.22 -3.46 116.42 110.90 2iqf h ASP 421 Ca -0.01 -0.23 -0.05 0.00 -0.39 0.00 0.00 57.03 56.35 2iqf h ASP 421 Cb 1.37 -0.06 -0.24 0.00 0.68 0.00 0.00 39.33 41.08 2iqf h ASP 421 CO 0.08 1.19 -0.21 -0.62 -1.61 0.00 0.00 179.24 178.08 2iqf s ASP 422 N -6.71 -0.66 -0.18 2.28 2.15 -0.15 -5.03 116.67 108.36 2iqf s ASP 422 Ca -0.04 1.18 0.14 0.00 0.43 0.00 0.00 52.55 54.26 2iqf s ASP 422 Cb 0.08 1.28 0.43 0.00 -0.30 0.00 0.00 42.92 44.42 2iqf s ASP 422 CO 0.84 -0.22 1.20 -1.54 -0.17 0.00 0.00 175.17 175.28 2iqf n SER 423 N 4.71 2.12 -3.97 -0.34 3.41 -1.24 -4.15 113.62 114.15 2iqf n SER 423 Ca -0.17 -3.38 -0.43 0.00 -0.26 0.00 0.00 58.87 54.62 2iqf n SER 423 Cb 0.54 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.69 5.28 0.16 4.04 2.03 -1.26 -4.72 116.55 121.39 2iqf n ASP 424 Ca 0.20 -3.13 0.12 0.00 0.52 0.00 0.00 54.79 52.50 2iqf n ASP 424 Cb 0.84 -1.46 0.09 0.00 -0.72 0.00 0.00 41.12 39.86 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 5.91 0.00 0.00 -0.67 0.99 -1.92 -3.40 116.97 117.88 2iqf h TYR 425 Ca 0.36 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.06 2iqf h TYR 425 Cb 0.66 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.39 2iqf h TYR 425 CO 1.19 0.01 -1.47 0.66 -0.00 0.00 0.00 178.16 178.55 2iqf n TYR 426 N -2.90 0.00 0.39 4.88 4.02 -1.26 -4.58 117.16 117.71 2iqf n TYR 426 Ca 0.02 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.72 2iqf n TYR 426 Cb 0.54 -0.26 -0.10 0.00 -0.02 0.00 0.00 39.34 39.51 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 0.01 -0.32 -0.72 2.02 -1.89 -1.34 112.91 110.66 2iqf h THR 427 Ca -0.04 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 2iqf h THR 427 Cb 0.64 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 2iqf h THR 427 CO 0.00 0.00 -0.11 1.56 0.37 0.00 0.00 175.52 177.35 2iqf h GLN 428 N -1.15 0.64 -0.94 6.66 4.20 -1.86 -1.99 115.11 120.66 2iqf h GLN 428 Ca -0.09 -0.26 0.03 0.00 0.06 0.00 0.00 58.65 58.39 2iqf h GLN 428 Cb 0.95 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.64 2iqf h GLN 428 CO 0.05 0.83 0.62 -1.00 -0.67 0.00 0.00 178.83 178.66 2iqf h PRO 429 N 0.41 1.17 -0.50 1.46 0.13 -1.80 -0.65 132.00 132.21 2iqf h PRO 429 Ca 0.08 -0.07 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2iqf h PRO 429 Cb 0.61 -0.26 -0.04 0.00 0.13 0.00 0.00 31.00 31.44 2iqf h PRO 429 CO 0.04 0.78 0.25 0.78 -0.23 0.00 0.00 178.00 179.61 2iqf h GLY 430 N 1.21 0.70 1.01 1.56 0.00 -0.94 0.14 103.07 106.75 2iqf h GLY 430 Ca 0.37 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.51 2iqf h GLY 430 CO -0.11 0.11 0.37 -0.55 0.00 0.00 0.00 176.54 176.35 2iqf h ASP 431 N 0.49 0.89 -0.06 0.19 3.32 -1.12 -0.37 116.42 119.76 2iqf h ASP 431 Ca 0.22 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 2iqf h ASP 431 Cb 0.14 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.46 2iqf h ASP 431 CO -0.16 0.74 -0.01 0.22 -1.72 0.00 0.00 179.24 178.32 2iqf h TYR 432 N 0.96 0.13 -0.19 4.55 3.20 -0.93 -2.08 116.97 122.62 2iqf h TYR 432 Ca 0.24 -0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.14 2iqf h TYR 432 Cb 0.07 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.24 2iqf h TYR 432 CO -0.00 0.42 -0.23 -0.92 -1.64 0.00 0.00 178.16 175.79 2iqf h TYR 433 N -0.19 -0.60 0.00 -3.82 3.20 -0.58 -2.24 116.97 112.74 2iqf h TYR 433 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 2iqf h TYR 433 Cb 0.37 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.93 2iqf h TYR 433 CO 0.04 -0.30 -0.08 0.00 -1.64 0.00 0.00 178.16 176.17 2iqf h ARG 434 N -0.26 0.00 0.00 1.82 3.08 -1.07 -2.18 114.38 115.78 2iqf h ARG 434 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2iqf h ARG 434 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2iqf h ARG 434 CO -0.34 0.08 0.00 0.66 -1.07 0.00 0.00 179.97 179.30 2iqf h SER 435 N 0.00 0.00 -3.83 7.04 4.64 -0.75 -3.45 113.55 117.19 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 0.17 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.29 2iqf h SER 435 CO 0.01 0.00 0.51 -0.76 -0.87 0.00 0.00 176.83 175.72 2iqf s LEU 436 N -5.84 4.51 0.79 5.97 1.43 -0.82 -4.99 118.68 119.72 2iqf s LEU 436 Ca 0.02 2.36 -0.14 0.00 -1.03 0.00 0.00 54.13 55.35 2iqf s LEU 436 Cb 0.09 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.73 2iqf s LEU 436 CO 0.53 -0.24 1.22 -2.16 0.23 0.00 0.00 176.35 175.92 2iqf s PRO 437 N -1.56 1.75 0.36 1.29 0.04 -1.26 -4.70 135.00 130.91 2iqf s PRO 437 Ca 0.46 1.81 0.05 0.00 0.04 0.00 0.00 61.00 63.36 2iqf s PRO 437 Cb -0.34 -1.78 0.71 0.00 0.04 0.00 0.00 34.50 33.13 2iqf s PRO 437 CO 0.44 -2.15 1.97 0.00 0.04 0.00 0.00 177.00 177.30 2iqf h ALA 438 N -0.71 1.66 -0.12 8.56 0.00 -1.96 -0.14 119.26 126.55 2iqf h ALA 438 Ca -0.47 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.28 2iqf h ALA 438 Cb 1.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2iqf h ALA 438 CO 0.47 0.24 -0.51 0.38 0.00 0.00 0.00 179.25 179.84 2iqf h ASP 439 N 0.80 0.37 -0.15 0.00 2.03 -2.00 -2.40 116.42 115.06 2iqf h ASP 439 Ca 0.30 -0.18 -0.05 0.00 -0.73 0.00 0.00 57.03 56.37 2iqf h ASP 439 Cb 0.18 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2iqf h ASP 439 CO -0.10 0.81 -0.11 -0.08 -1.03 0.00 0.00 179.24 178.74 2iqf h GLU 440 N 0.27 0.33 -0.88 4.15 4.81 -1.53 -2.44 114.58 119.29 2iqf h GLU 440 Ca 0.01 -0.16 0.20 0.00 -0.13 0.00 0.00 59.36 59.28 2iqf h GLU 440 Cb 0.99 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 30.25 2iqf h GLU 440 CO 0.08 0.69 0.40 0.87 -0.73 0.00 0.00 179.01 180.33 2iqf h LYS 441 N -0.02 0.45 -0.35 1.92 1.57 -0.95 0.11 116.57 119.30 2iqf h LYS 441 Ca 0.03 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2iqf h LYS 441 Cb 0.61 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 2iqf h LYS 441 CO 0.03 0.30 -0.18 0.93 -0.57 0.00 0.00 179.45 179.95 2iqf h GLU 442 N 0.46 0.74 -0.54 3.15 4.39 -1.33 0.63 114.58 122.09 2iqf h GLU 442 Ca 0.53 -0.33 0.07 0.00 0.34 0.00 0.00 59.36 59.97 2iqf h GLU 442 Cb 0.94 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.51 2iqf h GLU 442 CO -0.48 0.94 0.23 0.00 -1.16 0.00 0.00 179.01 178.54 2iqf h ARG 443 N 0.52 0.42 -0.02 2.33 3.08 -0.91 -1.80 114.38 118.01 2iqf h ARG 443 Ca 0.08 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.11 2iqf h ARG 443 Cb 0.73 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2iqf h ARG 443 CO 0.05 0.28 -0.04 1.25 -1.07 0.00 0.00 179.97 180.44 2iqf h LEU 444 N 0.43 -0.11 -0.65 3.04 5.85 -0.60 0.36 115.31 123.63 2iqf h LEU 444 Ca 0.26 0.02 0.12 0.00 0.84 0.00 0.00 57.88 59.12 2iqf h LEU 444 Cb 0.25 0.05 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2iqf h LEU 444 CO -0.23 -0.05 0.18 0.45 -0.34 0.00 0.00 178.44 178.44 2iqf h HIS 445 N -0.06 0.29 -0.11 1.25 3.86 -0.75 -1.33 115.15 118.30 2iqf h HIS 445 Ca 0.02 0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 59.09 2iqf h HIS 445 Cb 0.09 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 2iqf h HIS 445 CO -0.12 -0.01 -0.68 0.22 0.86 0.00 0.00 177.93 178.20 2iqf h ASP 446 N 0.31 0.55 -0.20 2.45 3.58 -0.87 -0.41 116.42 121.83 2iqf h ASP 446 Ca 0.35 -0.34 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2iqf h ASP 446 Cb 0.52 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2iqf h ASP 446 CO -0.41 1.07 0.10 0.74 -2.88 0.00 0.00 179.24 177.86 2iqf h THR 447 N 0.33 1.13 -0.20 2.25 2.02 -0.61 -1.51 112.91 116.32 2iqf h THR 447 Ca -0.02 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 2iqf h THR 447 Cb 1.25 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.66 2iqf h THR 447 CO 0.12 0.12 -0.04 0.40 0.37 0.00 0.00 175.52 176.49 2iqf h ILE 448 N 0.20 1.28 -0.92 3.11 2.04 -1.23 -2.67 117.51 119.32 2iqf h ILE 448 Ca 0.07 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 2iqf h ILE 448 Cb 0.10 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 2iqf h ILE 448 CO -0.01 0.30 0.56 1.23 0.00 0.00 0.00 178.15 180.24 2iqf h GLY 449 N 0.11 1.34 0.90 5.37 0.00 -0.99 -0.66 103.07 109.13 2iqf h GLY 449 Ca 0.05 -0.55 0.03 0.00 0.00 0.00 0.00 47.33 46.86 2iqf h GLY 449 CO 0.02 0.53 0.53 -2.09 0.00 0.00 0.00 176.54 175.53 2iqf h GLU 450 N 1.27 1.01 0.29 4.80 4.22 -1.26 -0.89 114.58 124.02 2iqf h GLU 450 Ca 0.33 -0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.70 2iqf h GLU 450 Cb -0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 28.96 2iqf h GLU 450 CO -0.06 0.67 -0.14 1.03 -2.18 0.00 0.00 179.01 178.33 2iqf h SER 451 N 1.04 -0.33 -0.63 1.04 0.87 -1.06 -3.10 113.55 111.38 2iqf h SER 451 Ca 0.33 -0.20 0.14 0.00 -1.23 0.00 0.00 61.79 60.82 2iqf h SER 451 Cb -0.01 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 2iqf h SER 451 CO -0.11 0.08 0.43 -0.07 -0.53 0.00 0.00 176.83 176.64 2iqf h LEU 452 N -0.80 0.23 -2.58 2.23 3.38 -1.11 -1.73 115.31 114.93 2iqf h LEU 452 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2iqf h LEU 452 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2iqf h LEU 452 CO 0.07 0.13 0.02 0.00 0.09 0.00 0.00 178.44 178.75 2iqf h ALA 453 N 1.69 1.02 -0.00 1.53 0.00 -1.08 -1.70 119.26 120.72 2iqf h ALA 453 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2iqf h ALA 453 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2iqf h ALA 453 CO -0.06 -0.02 -0.19 0.72 0.00 0.00 0.00 179.25 179.69 2iqf n HIS 454 N -2.88 0.00 -2.77 0.00 8.25 -0.65 -4.87 115.22 112.30 2iqf n HIS 454 Ca -0.03 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.02 2iqf n HIS 454 Cb 0.09 -0.26 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 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 -2.70 4.57 -2.31 1.59 1.01 -0.64 -4.63 120.40 117.28 2iqf s VAL 455 Ca 0.21 2.00 0.22 0.00 0.00 0.00 0.00 61.98 64.41 2iqf s VAL 455 Cb 0.19 -4.29 0.07 0.00 0.00 0.00 0.00 36.38 32.35 2iqf s VAL 455 CO 0.54 0.31 1.11 0.35 0.00 0.00 0.00 175.10 177.42 2iqf n THR 456 N 2.90 0.00 -3.99 3.92 -2.24 -1.26 -4.82 114.28 108.79 2iqf n THR 456 Ca 0.02 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 61.09 2iqf n THR 456 Cb 0.49 1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 69.92 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 -2.15 3.14 0.39 4.78 3.76 -1.26 -5.00 115.29 118.95 2iqf s HIS 457 Ca 0.21 -1.83 0.07 0.00 -0.15 0.00 0.00 55.06 53.36 2iqf s HIS 457 Cb 0.18 -2.03 0.79 0.00 1.11 0.00 0.00 32.58 32.63 2iqf s HIS 457 CO 0.43 -0.79 1.98 0.87 -0.85 0.00 0.00 174.74 176.38 2iqf h LYS 458 N 7.94 0.46 -0.97 1.40 1.57 -2.00 -2.44 116.57 122.53 2iqf h LYS 458 Ca -0.28 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 58.54 2iqf h LYS 458 Cb 1.08 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 33.23 2iqf h LYS 458 CO 0.54 0.40 0.60 0.93 -0.57 0.00 0.00 179.45 181.36 2iqf h GLU 459 N 0.45 0.98 -0.07 3.15 3.07 -1.99 -0.06 114.58 120.11 2iqf h GLU 459 Ca 0.11 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.90 2iqf h GLU 459 Cb 0.14 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.83 2iqf h GLU 459 CO -0.01 0.65 0.00 0.82 -1.40 0.00 0.00 179.01 179.07 2iqf h ILE 460 N 1.01 1.24 -0.27 3.13 2.04 -1.84 -1.67 117.51 121.15 2iqf h ILE 460 Ca 0.46 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.59 2iqf h ILE 460 Cb 0.37 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2iqf h ILE 460 CO -0.23 0.21 0.14 0.58 0.00 0.00 0.00 178.15 178.84 2iqf h VAL 461 N -0.16 1.01 -0.97 1.67 2.07 -1.38 -1.68 116.25 116.80 2iqf h VAL 461 Ca 0.02 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2iqf h VAL 461 Cb 0.32 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.72 2iqf h VAL 461 CO 0.00 0.05 0.64 0.44 0.02 0.00 0.00 177.57 178.73 2iqf h ASP 462 N 0.30 1.10 -0.48 0.57 3.32 -1.01 -0.23 116.42 119.99 2iqf h ASP 462 Ca 0.11 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.07 2iqf h ASP 462 Cb 0.02 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 2iqf h ASP 462 CO -0.07 0.78 0.03 0.50 -1.72 0.00 0.00 179.24 178.76 2iqf h LYS 463 N 1.29 0.84 -0.28 3.56 3.64 -1.04 -1.85 116.57 122.72 2iqf h LYS 463 Ca 0.37 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2iqf h LYS 463 Cb -0.10 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 2iqf h LYS 463 CO -0.09 0.87 0.05 0.37 -2.27 0.00 0.00 179.45 178.37 2iqf h GLN 464 N 0.70 0.46 -0.86 1.90 5.75 -0.87 -2.13 115.11 120.06 2iqf h GLN 464 Ca 0.14 -0.12 0.12 0.00 -0.15 0.00 0.00 58.65 58.64 2iqf h GLN 464 Cb 0.47 -0.05 -0.08 0.00 1.07 0.00 0.00 27.48 28.89 2iqf h GLN 464 CO 0.02 0.57 0.48 -0.07 -2.65 0.00 0.00 178.83 177.18 2iqf h LEU 465 N 0.28 0.65 -1.19 -2.39 3.38 -0.97 -0.91 115.31 114.17 2iqf h LEU 465 Ca 0.09 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2iqf h LEU 465 Cb 0.33 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2iqf h LEU 465 CO 0.00 0.33 0.26 -0.08 0.09 0.00 0.00 178.44 179.05 2iqf h GLU 466 N 0.75 0.83 -0.54 1.13 4.57 -0.90 -1.01 114.58 119.42 2iqf h GLU 466 Ca 0.44 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.45 2iqf h GLU 466 Cb 0.50 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2iqf h GLU 466 CO -0.30 0.66 0.13 0.45 -1.18 0.00 0.00 179.01 178.78 2iqf h HIS 467 N 0.83 0.90 -0.78 0.92 3.86 -0.57 -1.66 115.15 118.65 2iqf h HIS 467 Ca 0.20 -0.11 0.04 0.00 -1.16 0.00 0.00 60.37 59.34 2iqf h HIS 467 Cb 0.12 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.28 2iqf h HIS 467 CO 0.01 0.79 0.49 0.74 0.86 0.00 0.00 177.93 180.81 2iqf h PHE 468 N 0.76 0.91 -0.43 2.45 0.05 -0.60 -2.73 116.94 117.36 2iqf h PHE 468 Ca 0.17 0.03 -0.01 0.00 3.82 0.00 0.00 57.97 61.97 2iqf h PHE 468 Cb 0.34 -0.30 -0.02 0.00 2.00 0.00 0.00 35.95 37.97 2iqf h PHE 468 CO 0.02 0.51 0.22 -0.22 -0.18 0.00 0.00 178.31 178.66 2iqf h LYS 469 N 0.94 0.61 0.00 1.51 3.64 -0.91 -0.43 116.57 121.94 2iqf h LYS 469 Ca 0.32 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2iqf h LYS 469 Cb 0.05 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2iqf h LYS 469 CO -0.13 0.51 -0.08 0.87 -2.27 0.00 0.00 179.45 178.35 2iqf h LYS 470 N 0.56 0.00 -0.02 1.90 1.57 -1.06 -1.86 116.57 117.66 2iqf h LYS 470 Ca 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2iqf h LYS 470 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2iqf h LYS 470 CO -0.02 0.08 -0.04 0.00 -0.57 0.00 0.00 179.45 178.90 2iqf h ALA 471 N 1.92 0.03 -1.57 3.86 0.00 -1.03 -3.46 119.26 119.02 2iqf h ALA 471 Ca -0.00 -0.30 0.11 0.00 0.00 0.00 0.00 54.91 54.72 2iqf h ALA 471 Cb 0.15 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 17.67 2iqf h ALA 471 CO 0.01 -0.16 0.33 0.34 0.00 0.00 0.00 179.25 179.77 2iqf s ASP 472 N -5.85 -0.57 0.51 0.00 -1.08 -0.26 -4.19 116.67 105.24 2iqf s ASP 472 Ca -0.16 0.90 0.23 0.00 -0.52 0.00 0.00 52.55 52.99 2iqf s ASP 472 Cb 0.02 1.26 1.38 0.00 -1.46 0.00 0.00 42.92 44.11 2iqf s ASP 472 CO 0.69 -0.14 2.09 -0.65 0.52 0.00 0.00 175.17 177.68 2iqf h PRO 473 N 6.25 0.00 0.00 4.34 0.11 -1.76 -1.51 132.00 139.44 2iqf h PRO 473 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2iqf h PRO 473 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2iqf h PRO 473 CO 0.19 0.10 -0.38 0.87 -0.21 0.00 0.00 178.00 178.57 2iqf h LYS 474 N 0.00 0.00 0.47 1.05 1.57 -1.91 -0.92 116.57 116.83 2iqf h LYS 474 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2iqf h LYS 474 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2iqf h LYS 474 CO 0.01 0.38 -0.23 -0.92 -0.57 0.00 0.00 179.45 178.13 2iqf h TYR 475 N 0.00 -0.59 -0.69 -1.35 -0.00 -1.56 0.14 116.97 112.92 2iqf h TYR 475 Ca -0.00 -0.01 0.10 0.00 -0.00 0.00 0.00 58.73 58.81 2iqf h TYR 475 Cb 1.01 0.19 -0.07 0.00 -0.00 0.00 0.00 36.73 37.86 2iqf h TYR 475 CO 0.00 -0.28 0.32 0.00 -0.00 0.00 0.00 178.16 178.20 2iqf h ALA 476 N -0.43 0.94 -0.25 1.82 0.00 -1.45 -2.03 119.26 117.86 2iqf h ALA 476 Ca -0.06 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2iqf h ALA 476 Cb 0.57 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2iqf h ALA 476 CO 0.11 -0.10 0.13 1.49 0.00 0.00 0.00 179.25 180.88 2iqf h GLU 477 N 0.54 0.36 -0.63 0.00 4.81 -1.07 -0.77 114.58 117.82 2iqf h GLU 477 Ca 0.35 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2iqf h GLU 477 Cb 0.40 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2iqf h GLU 477 CO -0.29 0.34 0.35 0.78 -0.73 0.00 0.00 179.01 179.46 2iqf h GLY 478 N 0.29 0.94 0.92 1.92 0.00 -0.73 -2.30 103.07 104.11 2iqf h GLY 478 Ca 0.09 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.95 2iqf h GLY 478 CO -0.01 0.41 0.05 -2.08 0.00 0.00 0.00 176.54 174.91 2iqf h VAL 479 N 0.86 1.24 -0.46 4.60 2.07 -1.21 -2.48 116.25 120.87 2iqf h VAL 479 Ca 0.22 -0.85 0.04 0.00 0.82 0.00 0.00 66.70 66.94 2iqf h VAL 479 Cb 0.03 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2iqf h VAL 479 CO -0.04 0.29 0.22 0.50 0.02 0.00 0.00 177.57 178.56 2iqf h LYS 480 N 0.44 0.42 -0.07 1.57 3.64 -1.03 0.50 116.57 122.03 2iqf h LYS 480 Ca 0.11 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2iqf h LYS 480 Cb 0.36 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2iqf h LYS 480 CO 0.01 0.28 0.04 -0.22 -2.27 0.00 0.00 179.45 177.29 2iqf h LYS 481 N 0.43 0.09 -0.63 1.90 3.64 -1.38 -0.55 116.57 120.08 2iqf h LYS 481 Ca 0.20 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.60 2iqf h LYS 481 Cb 0.13 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2iqf h LYS 481 CO -0.16 0.10 0.39 0.00 -2.27 0.00 0.00 179.45 177.51 2iqf h ALA 482 N 0.99 0.82 -0.30 5.00 0.00 -1.10 -1.26 119.26 123.41 2iqf h ALA 482 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2iqf h ALA 482 Cb 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2iqf h ALA 482 CO -0.00 0.14 0.03 1.25 0.00 0.00 0.00 179.25 180.67 2iqf h LEU 483 N 0.77 -0.05 -0.37 0.00 5.85 0.35 -0.38 115.31 121.48 2iqf h LEU 483 Ca 0.25 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.99 2iqf h LEU 483 Cb 0.02 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2iqf h LEU 483 CO -0.10 0.01 0.08 -0.33 -0.34 0.00 0.00 178.44 177.76 2iqf h GLU 484 N 0.13 0.60 -0.73 1.25 5.08 -0.80 0.20 114.58 120.31 2iqf h GLU 484 Ca 0.14 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.43 2iqf h GLU 484 Cb 0.17 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.28 2iqf h GLU 484 CO -0.21 0.65 0.40 -0.22 -1.00 0.00 0.00 179.01 178.63 2iqf h LYS 485 N 0.46 0.68 0.00 2.33 3.64 -1.06 0.73 116.57 123.34 2iqf h LYS 485 Ca 0.12 -0.04 -0.20 0.00 -1.27 0.00 0.00 60.65 59.26 2iqf h LYS 485 Cb 0.33 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 2iqf h LYS 485 CO 0.00 0.45 -0.93 0.45 -2.27 0.00 0.00 179.45 177.16 2iqf h HIS 486 N 0.70 0.02 -0.52 1.91 3.86 -0.68 -3.00 115.15 117.44 2iqf h HIS 486 Ca 0.35 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.46 2iqf h HIS 486 Cb 0.30 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.75 2iqf h HIS 486 CO -0.08 0.93 -0.03 1.96 0.86 0.00 0.00 177.93 181.56 2iqf h GLN 487 N 0.00 0.93 -0.17 2.45 4.20 -0.23 -2.72 115.11 119.58 2iqf h GLN 487 Ca -0.01 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2iqf h GLN 487 Cb 1.63 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 2iqf h GLN 487 CO 0.12 0.97 0.11 0.87 -0.67 0.00 0.00 178.83 180.23 2iqf h LYS 488 N 0.80 0.21 -0.90 1.46 1.57 -0.86 -2.87 116.57 116.00 2iqf h LYS 488 Ca 0.14 -0.01 -0.62 0.00 -1.87 0.00 0.00 60.65 58.29 2iqf h LYS 488 Cb 0.57 -0.05 -0.34 0.00 0.08 0.00 0.00 32.23 32.49 2iqf h LYS 488 CO 0.03 0.14 0.24 0.00 -0.57 0.00 0.00 179.45 179.29 2iqf n MET 489 N -4.51 3.01 -0.08 3.15 0.00 -1.07 -4.76 117.12 112.85 2iqf n MET 489 Ca -0.00 -3.61 -0.06 0.00 0.00 0.00 0.00 57.70 54.03 2iqf n MET 489 Cb 0.08 -2.28 -0.16 0.00 0.00 0.00 0.00 33.22 30.87 2iqf n MET 489 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2iqf n MET 490 N -0.85 0.68 -0.55 3.17 2.81 -1.05 -4.98 117.12 116.35 2iqf n MET 490 Ca 0.55 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 2iqf n MET 490 Cb 0.79 -1.53 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 2iqf n MET 490 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65