#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4g n GLU 9 N 0.00 0.00 -0.06 3.52 1.02 -1.26 -4.09 120.64 119.78 1i4g n GLU 9 Ca 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.26 1i4g n GLU 9 Cb 0.00 -1.92 0.13 0.00 -0.02 0.00 0.00 31.44 29.63 1i4g n GLU 9 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1i4g n LYS 10 N -0.28 2.37 -0.05 3.49 4.81 -1.26 -4.01 118.16 123.23 1i4g n LYS 10 Ca 0.00 -2.03 -0.06 0.00 -0.87 0.00 0.00 58.31 55.35 1i4g n LYS 10 Cb 0.00 -1.48 -0.06 0.00 0.02 0.00 0.00 35.03 33.51 1i4g n LYS 10 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1i4g n ASP 11 N 1.39 3.00 -4.76 3.14 8.00 -1.26 -5.02 116.55 121.04 1i4g n ASP 11 Ca 0.16 -0.03 -0.40 0.00 0.71 0.00 0.00 54.79 55.22 1i4g n ASP 11 Cb 0.60 0.28 -0.04 0.00 -0.02 0.00 0.00 41.12 41.95 1i4g n ASP 11 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1i4g s LEU 12 N -5.13 4.52 0.40 0.64 1.43 -1.26 -5.02 118.68 114.27 1i4g s LEU 12 Ca -0.09 2.38 -0.24 0.00 -1.03 0.00 0.00 54.13 55.15 1i4g s LEU 12 Cb 0.03 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.53 1i4g s LEU 12 CO 0.31 -0.25 1.05 -0.13 0.23 0.00 0.00 176.35 177.55 1i4g s ARG 13 N -1.51 4.15 0.35 1.70 0.52 -1.26 -4.91 118.95 117.99 1i4g s ARG 13 Ca 0.46 1.50 -0.18 0.00 -0.52 0.00 0.00 55.73 56.99 1i4g s ARG 13 Cb -0.34 -2.52 -0.10 0.00 0.52 0.00 0.00 34.95 32.51 1i4g s ARG 13 CO 0.44 -0.15 0.82 0.15 0.02 0.00 0.00 175.30 176.58 1i4g s LYS 14 N -2.53 4.13 0.55 3.54 1.02 -1.26 -4.51 119.74 120.67 1i4g s LYS 14 Ca 0.58 0.87 0.27 0.00 0.02 0.00 0.00 55.97 57.71 1i4g s LYS 14 Cb -0.22 -2.40 1.59 0.00 -0.52 0.00 0.00 37.83 36.28 1i4g s LYS 14 CO 0.27 0.12 2.16 -0.22 -0.92 0.00 0.00 175.35 176.76 1i4g h LYS 15 N 2.28 0.00 0.00 1.68 3.64 -1.23 -1.44 116.57 121.50 1i4g h LYS 15 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1i4g h LYS 15 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1i4g h LYS 15 CO 0.64 0.06 0.00 -1.13 -2.27 0.00 0.00 179.45 176.75 1i4g n SER 16 N -3.87 0.70 0.09 4.20 3.41 -1.26 -2.17 113.62 114.72 1i4g n SER 16 Ca -0.03 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.35 1i4g n SER 16 Cb 0.15 -0.80 0.34 0.00 -0.26 0.00 0.00 64.21 63.64 1i4g n SER 16 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i4g n GLU 17 N -2.23 0.26 -2.50 4.33 1.02 -0.54 -4.84 120.64 116.14 1i4g n GLU 17 Ca 0.03 0.17 -0.31 0.00 -0.02 0.00 0.00 57.16 57.03 1i4g n GLU 17 Cb 0.29 -1.76 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 1i4g n GLU 17 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1i4g s LEU 18 N -4.38 3.63 0.90 -4.62 1.43 -0.92 -5.07 118.68 109.65 1i4g s LEU 18 Ca 0.09 1.32 -0.14 0.00 -1.03 0.00 0.00 54.13 54.37 1i4g s LEU 18 Cb 0.13 -4.26 0.15 0.00 0.03 0.00 0.00 46.19 42.25 1i4g s LEU 18 CO 0.63 -0.57 1.26 -1.10 0.23 0.00 0.00 176.35 176.81 1i4g s GLN 19 N -4.26 1.15 -0.00 1.70 -0.21 -1.26 -4.94 119.66 111.84 1i4g s GLN 19 Ca 0.54 -0.23 -0.25 0.00 0.02 0.00 0.00 55.36 55.44 1i4g s GLN 19 Cb -0.10 -1.89 -0.18 0.00 1.00 0.00 0.00 33.01 31.83 1i4g s GLN 19 CO 0.37 -2.09 1.28 0.78 -2.12 0.00 0.00 175.29 173.50 1i4g h GLY 20 N -1.41 -0.19 2.00 3.09 0.00 -1.97 -2.79 103.07 101.80 1i4g h GLY 20 Ca -0.45 0.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 1i4g h GLY 20 CO 0.48 -0.07 -0.31 -0.91 0.00 0.00 0.00 176.54 175.73 1i4g h THR 21 N -0.57 0.87 -0.29 4.70 1.35 -1.95 -2.79 112.91 114.23 1i4g h THR 21 Ca -0.02 -1.24 -0.00 0.00 -0.55 0.00 0.00 66.41 64.60 1i4g h THR 21 Cb 0.44 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1i4g h THR 21 CO 0.03 0.30 0.17 0.00 -0.25 0.00 0.00 175.52 175.77 1i4g h ALA 22 N 1.69 0.37 0.03 6.62 0.00 -1.66 -0.70 119.26 125.61 1i4g h ALA 22 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1i4g h ALA 22 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1i4g h ALA 22 CO 0.04 -0.11 -0.01 1.25 0.00 0.00 0.00 179.25 180.42 1i4g h LEU 23 N 0.36 -0.03 -1.22 0.00 5.85 -1.24 0.24 115.31 119.27 1i4g h LEU 23 Ca 0.10 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1i4g h LEU 23 Cb 0.04 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1i4g h LEU 23 CO -0.02 0.09 0.17 1.23 -0.34 0.00 0.00 178.44 179.57 1i4g h GLY 24 N -0.15 0.76 1.58 3.75 0.00 -1.41 -2.06 103.07 105.54 1i4g h GLY 24 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1i4g h GLY 24 CO 0.01 0.37 -0.57 3.43 0.00 0.00 0.00 176.54 179.78 1i4g h ASN 25 N 0.70 0.49 -0.80 0.19 2.35 -0.92 -0.54 115.58 117.04 1i4g h ASN 25 Ca 0.17 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1i4g h ASN 25 Cb 0.19 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1i4g h ASN 25 CO -0.01 0.95 0.32 -0.07 -1.65 0.00 0.00 177.43 176.97 1i4g h LEU 26 N 0.33 1.10 -0.60 1.61 3.38 -0.56 -1.21 115.31 119.37 1i4g h LEU 26 Ca 0.00 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1i4g h LEU 26 Cb 1.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 1i4g h LEU 26 CO 0.10 0.97 0.09 0.50 0.09 0.00 0.00 178.44 180.19 1i4g h LYS 27 N 1.17 1.00 0.12 1.13 3.64 -1.13 -1.53 116.57 120.98 1i4g h LYS 27 Ca 0.27 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1i4g h LYS 27 Cb 0.21 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1i4g h LYS 27 CO -0.02 0.95 -0.08 0.37 -2.27 0.00 0.00 179.45 178.39 1i4g h GLN 28 N 0.91 -0.20 0.47 1.90 5.75 -0.78 -0.52 115.11 122.63 1i4g h GLN 28 Ca 0.18 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.67 1i4g h GLN 28 Cb 0.44 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.04 1i4g h GLN 28 CO 0.01 -0.13 -0.23 0.82 -2.65 0.00 0.00 178.83 176.66 1i4g h ILE 29 N -0.21 0.54 0.00 2.39 2.04 -1.06 -1.08 117.51 120.13 1i4g h ILE 29 Ca -0.01 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.79 1i4g h ILE 29 Cb 0.18 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1i4g h ILE 29 CO 0.00 0.01 0.00 1.88 0.00 0.00 0.00 178.15 180.04 1i4g h TYR 30 N -0.66 0.00 0.00 1.37 -1.99 -1.28 -3.39 116.97 111.02 1i4g h TYR 30 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1i4g h TYR 30 Cb 0.50 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.23 1i4g h TYR 30 CO -0.04 0.00 -0.99 0.98 -0.00 0.00 0.00 178.16 178.12 1i4g n TYR 31 N -3.07 0.00 -0.13 4.88 9.36 -0.21 -3.86 117.16 124.14 1i4g n TYR 31 Ca 0.03 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.02 1i4g n TYR 31 Cb 0.44 0.00 -0.11 0.00 -0.63 0.00 0.00 39.34 39.04 1i4g n TYR 31 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 1i4g n TYR 32 N -2.30 0.09 -1.89 2.98 4.02 -0.82 -5.03 117.16 114.22 1i4g n TYR 32 Ca 0.00 0.02 -0.38 0.00 -0.01 0.00 0.00 57.90 57.53 1i4g n TYR 32 Cb 0.49 -1.01 0.03 0.00 -0.02 0.00 0.00 39.34 38.83 1i4g n TYR 32 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1i4g s ASN 33 N -6.91 5.53 0.49 7.72 0.01 -0.47 -5.02 114.94 116.29 1i4g s ASN 33 Ca -0.36 2.68 -0.18 0.00 -0.71 0.00 0.00 52.86 54.29 1i4g s ASN 33 Cb 0.11 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 1i4g s ASN 33 CO 0.57 -1.39 0.99 -1.61 -1.51 0.00 0.00 177.10 174.15 1i4g s GLU 34 N -2.80 3.97 0.37 -0.60 2.02 -1.26 -4.98 118.70 115.41 1i4g s GLU 34 Ca 0.69 1.08 0.08 0.00 0.02 0.00 0.00 54.97 56.83 1i4g s GLU 34 Cb -0.38 -2.14 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1i4g s GLU 34 CO 0.46 -0.26 0.31 0.15 0.02 0.00 0.00 175.26 175.94 1i4g s LYS 35 N -3.67 2.61 -0.40 1.61 1.02 -1.26 -4.60 119.74 115.04 1i4g s LYS 35 Ca 0.61 -1.42 -0.18 0.00 0.02 0.00 0.00 55.97 55.00 1i4g s LYS 35 Cb -0.11 -2.40 0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1i4g s LYS 35 CO 0.24 -0.02 0.48 0.00 -0.92 0.00 0.00 175.35 175.14 1i4g s ALA 36 N -2.39 3.43 -0.18 5.17 0.00 -0.45 -4.96 121.76 122.38 1i4g s ALA 36 Ca 0.43 -1.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.05 1i4g s ALA 36 Cb -0.04 -3.07 0.05 0.00 0.00 0.00 0.00 23.12 20.06 1i4g s ALA 36 CO 0.27 -1.50 -0.00 0.15 0.00 0.00 0.00 175.76 174.68 1i4g s LYS 37 N 2.30 0.98 0.01 0.00 1.02 -1.26 -1.86 119.74 120.93 1i4g s LYS 37 Ca 0.15 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.54 1i4g s LYS 37 Cb -0.16 -2.08 0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1i4g s LYS 37 CO 0.14 -0.56 0.23 0.99 -0.92 0.00 0.00 175.35 175.23 1i4g s THR 38 N 1.74 0.08 0.00 2.17 2.01 -0.75 -5.00 115.64 115.89 1i4g s THR 38 Ca -0.01 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1i4g s THR 38 Cb -0.17 -0.65 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1i4g s THR 38 CO -0.07 -0.36 -0.11 -1.61 -0.69 0.00 0.00 174.62 171.77 1i4g s GLU 39 N -1.73 2.41 -1.07 4.92 0.41 -1.26 -1.07 118.70 121.30 1i4g s GLU 39 Ca -0.11 -0.79 -0.03 0.00 -0.41 0.00 0.00 54.97 53.63 1i4g s GLU 39 Cb -0.05 -2.39 -0.03 0.00 -1.78 0.00 0.00 34.13 29.88 1i4g s GLU 39 CO 0.01 0.59 0.91 -1.71 -0.49 0.00 0.00 175.26 174.57 1i4g n ASN 40 N 1.71 -4.25 -4.82 -0.19 5.15 -0.91 -4.98 115.26 106.96 1i4g n ASN 40 Ca -0.16 -0.63 -0.24 0.00 -0.60 0.00 0.00 54.58 52.95 1i4g n ASN 40 Cb 0.52 -4.94 -0.05 0.00 -0.53 0.00 0.00 39.78 34.78 1i4g n ASN 40 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1i4g s LYS 41 N -4.80 2.34 -0.07 1.20 -0.14 -0.16 -4.86 119.74 113.25 1i4g s LYS 41 Ca 0.22 -1.78 -0.27 0.00 -1.36 0.00 0.00 55.97 52.78 1i4g s LYS 41 Cb -0.03 -2.14 0.06 0.00 -1.68 0.00 0.00 37.83 34.04 1i4g s LYS 41 CO 0.70 -0.25 0.60 -1.83 -0.76 0.00 0.00 175.35 173.82 1i4g s GLU 42 N -4.06 0.94 -0.19 1.68 -1.05 -1.26 -0.19 118.70 114.57 1i4g s GLU 42 Ca 0.42 0.28 -0.23 0.00 -0.15 0.00 0.00 54.97 55.28 1i4g s GLU 42 Cb 0.00 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.19 1i4g s GLU 42 CO 0.24 -0.26 0.63 0.45 0.95 0.00 0.00 175.26 177.26 1i4g s SER 43 N -0.97 -0.64 -0.21 0.83 0.15 -1.26 -5.00 113.70 106.60 1i4g s SER 43 Ca -0.10 1.11 0.14 0.00 0.70 0.00 0.00 55.95 57.80 1i4g s SER 43 Cb -0.02 1.10 0.45 0.00 -1.71 0.00 0.00 66.02 65.84 1i4g s SER 43 CO 0.07 -0.31 1.19 0.00 1.20 0.00 0.00 173.24 175.40 1i4g n HIS 44 N 2.31 1.09 -4.38 3.44 1.44 -1.26 -1.27 115.22 116.59 1i4g n HIS 44 Ca -0.15 -1.67 -0.31 0.00 -2.01 0.00 0.00 57.72 53.57 1i4g n HIS 44 Cb 0.56 -0.26 -0.10 0.00 0.12 0.00 0.00 29.99 30.30 1i4g n HIS 44 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1i4g s ASP 45 N -3.25 4.51 0.05 4.39 1.01 -1.26 -4.96 116.67 117.17 1i4g s ASP 45 Ca 0.40 -0.25 -0.17 0.00 0.71 0.00 0.00 52.55 53.24 1i4g s ASP 45 Cb 0.38 -0.97 0.03 0.00 1.01 0.00 0.00 42.92 43.37 1i4g s ASP 45 CO -0.04 0.24 0.40 -1.10 0.21 0.00 0.00 175.17 174.87 1i4g s GLN 46 N -1.73 0.92 0.00 8.23 -0.21 -1.26 -1.25 119.66 124.36 1i4g s GLN 46 Ca 0.19 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.15 1i4g s GLN 46 Cb -0.11 0.41 0.00 0.00 1.00 0.00 0.00 33.01 34.31 1i4g s GLN 46 CO 0.10 -0.32 0.00 1.19 -2.12 0.00 0.00 175.29 174.14 1i4g n PHE 47 N 0.43 0.00 -1.65 0.91 3.01 -1.26 -4.89 117.46 114.01 1i4g n PHE 47 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 57.99 1i4g n PHE 47 Cb 0.60 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.18 1i4g n PHE 47 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1i4g s LEU 48 N 0.00 2.32 0.53 4.37 1.43 -1.26 -4.94 118.68 121.12 1i4g s LEU 48 Ca 0.00 1.01 0.27 0.00 -1.03 0.00 0.00 54.13 54.38 1i4g s LEU 48 Cb 0.00 -3.47 1.46 0.00 0.03 0.00 0.00 46.19 44.21 1i4g s LEU 48 CO 0.00 -2.19 2.09 -0.61 0.23 0.00 0.00 176.35 175.87 1i4g h GLN 49 N -1.25 0.00 -0.69 1.70 4.15 -2.01 -2.65 115.11 114.36 1i4g h GLN 49 Ca -0.48 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 1i4g h GLN 49 Cb 1.31 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.97 1i4g h GLN 49 CO 0.62 0.11 0.07 -2.39 -1.93 0.00 0.00 178.83 175.31 1i4g n HIS 50 N -3.71 1.87 -4.38 3.99 1.44 -1.26 -4.41 115.22 108.76 1i4g n HIS 50 Ca -0.02 -0.74 -0.19 0.00 -2.01 0.00 0.00 57.72 54.76 1i4g n HIS 50 Cb 0.22 -0.50 -0.10 0.00 0.12 0.00 0.00 29.99 29.73 1i4g n HIS 50 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1i4g s THR 51 N -2.53 1.12 -0.02 0.61 -4.23 -1.00 -1.08 115.64 108.51 1i4g s THR 51 Ca 0.46 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1i4g s THR 51 Cb 0.36 -2.52 0.03 0.00 1.34 0.00 0.00 72.50 71.70 1i4g s THR 51 CO 0.13 -0.19 0.03 -0.63 -0.54 0.00 0.00 174.62 173.41 1i4g s ILE 52 N -3.36 -0.01 -0.22 2.99 1.01 -0.40 -4.57 121.20 116.65 1i4g s ILE 52 Ca 0.32 0.21 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 1i4g s ILE 52 Cb 0.07 -0.13 -0.05 0.00 0.01 0.00 0.00 42.46 42.36 1i4g s ILE 52 CO 0.12 0.11 0.12 -0.22 0.00 0.00 0.00 174.94 175.07 1i4g s LEU 53 N 1.16 4.03 -0.65 2.97 2.96 -0.38 0.10 118.68 128.88 1i4g s LEU 53 Ca -0.08 0.11 -0.06 0.00 -0.22 0.00 0.00 54.13 53.89 1i4g s LEU 53 Cb -0.13 -2.06 0.17 0.00 0.50 0.00 0.00 46.19 44.67 1i4g s LEU 53 CO -0.03 0.11 0.50 -0.36 -1.32 0.00 0.00 176.35 175.26 1i4g s PHE 54 N 0.75 3.50 0.25 5.38 0.40 0.10 -4.45 117.98 123.91 1i4g s PHE 54 Ca 0.06 -2.47 -0.31 0.00 -0.60 0.00 0.00 56.93 53.62 1i4g s PHE 54 Cb -0.13 -3.37 -0.12 0.00 0.51 0.00 0.00 43.02 39.91 1i4g s PHE 54 CO 0.02 -0.89 1.63 1.63 0.70 0.00 0.00 175.22 178.31 1i4g n LYS 55 N 3.76 2.66 -2.92 0.44 5.02 -1.26 -1.91 118.16 123.94 1i4g n LYS 55 Ca 0.07 0.95 -0.22 0.00 -2.02 0.00 0.00 58.31 57.09 1i4g n LYS 55 Cb 0.40 -2.75 0.03 0.00 -0.02 0.00 0.00 35.03 32.69 1i4g n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4g n GLY 56 N 2.91 -0.51 0.05 0.72 0.00 -1.03 -4.90 105.19 102.41 1i4g n GLY 56 Ca 0.12 0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 1i4g n GLY 56 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1i4g h PHE 57 N -1.19 -0.01 -3.38 1.61 3.57 0.04 -3.43 116.94 114.15 1i4g h PHE 57 Ca -0.53 -0.00 -0.55 0.00 3.53 0.00 0.00 57.97 60.43 1i4g h PHE 57 Cb 1.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.07 1i4g h PHE 57 CO 0.53 0.10 -0.11 -0.06 -2.23 0.00 0.00 178.31 176.54 1i4g s PHE 58 N -5.78 3.49 0.00 0.41 0.40 -0.78 -5.03 117.98 110.69 1i4g s PHE 58 Ca -0.14 0.93 0.00 0.00 -0.60 0.00 0.00 56.93 57.13 1i4g s PHE 58 Cb 0.05 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.29 1i4g s PHE 58 CO 0.66 0.33 0.00 0.25 0.70 0.00 0.00 175.22 177.17 1i4g n THR 59 N 0.23 0.00 0.15 0.64 -2.24 -1.26 -4.60 114.28 107.20 1i4g n THR 59 Ca -0.02 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.86 1i4g n THR 59 Cb 0.52 -1.61 0.07 0.00 -2.10 0.00 0.00 70.33 67.21 1i4g n THR 59 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1i4g h ASP 60 N 0.00 0.00 -0.39 3.42 3.04 -1.99 -3.33 116.42 117.18 1i4g h ASP 60 Ca 0.00 0.00 -0.14 0.00 -3.24 0.00 0.00 57.03 53.65 1i4g h ASP 60 Cb 0.00 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 38.20 1i4g h ASP 60 CO 0.00 0.09 0.18 1.41 -2.04 0.00 0.00 179.24 178.88 1i4g n HIS 61 N -2.93 1.26 -4.40 4.15 8.25 -1.26 -4.78 115.22 115.51 1i4g n HIS 61 Ca 0.01 -0.81 -0.24 0.00 -0.26 0.00 0.00 57.72 56.42 1i4g n HIS 61 Cb 0.58 -0.46 -0.11 0.00 1.12 0.00 0.00 29.99 31.11 1i4g n HIS 61 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1i4g s SER 62 N -0.20 3.19 0.42 0.41 0.01 -1.25 -5.03 113.70 111.25 1i4g s SER 62 Ca 0.26 -0.91 0.23 0.00 1.31 0.00 0.00 55.95 56.85 1i4g s SER 62 Cb 0.21 -0.23 0.60 0.00 0.21 0.00 0.00 66.02 66.82 1i4g s SER 62 CO 0.06 0.04 1.69 -0.25 0.41 0.00 0.00 173.24 175.20 1i4g h TRP 63 N 3.00 0.00 -1.76 2.43 2.91 -1.90 -3.46 115.95 117.17 1i4g h TRP 63 Ca -0.43 0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.08 1i4g h TRP 63 Cb 1.22 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 29.82 1i4g h TRP 63 CO 0.71 0.19 -0.45 0.71 -1.03 0.00 0.00 178.44 178.57 1i4g s TYR 64 N -3.35 2.80 0.00 2.65 1.51 -1.26 -4.86 117.35 114.84 1i4g s TYR 64 Ca 0.03 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.71 1i4g s TYR 64 Cb 0.08 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1i4g s TYR 64 CO 0.66 0.14 0.00 0.27 -1.11 0.00 0.00 175.55 175.51 1i4g n ASN 65 N -1.36 2.84 -4.62 2.29 0.23 -0.75 -4.55 115.26 109.33 1i4g n ASN 65 Ca -0.01 0.00 -0.30 0.00 -0.53 0.00 0.00 54.58 53.74 1i4g n ASN 65 Cb 0.61 0.37 -0.09 0.00 -2.08 0.00 0.00 39.78 38.58 1i4g n ASN 65 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 1i4g s ASP 66 N -1.84 4.64 -0.14 0.53 -0.00 -0.93 0.33 116.67 119.26 1i4g s ASP 66 Ca 0.00 -0.29 0.01 0.00 -0.00 0.00 0.00 52.55 52.27 1i4g s ASP 66 Cb 0.00 -0.99 0.02 0.00 -0.00 0.00 0.00 42.92 41.95 1i4g s ASP 66 CO 0.00 0.18 -0.17 -0.22 -0.00 0.00 0.00 175.17 174.96 1i4g s LEU 67 N -2.19 1.86 -0.31 1.23 2.96 -0.81 -1.12 118.68 120.31 1i4g s LEU 67 Ca 0.23 -0.52 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1i4g s LEU 67 Cb -0.11 -1.26 0.01 0.00 0.50 0.00 0.00 46.19 45.32 1i4g s LEU 67 CO 0.15 0.00 0.13 -0.22 -1.32 0.00 0.00 176.35 175.10 1i4g s LEU 68 N 1.16 4.10 -0.20 -0.68 2.96 0.06 0.00 118.68 126.09 1i4g s LEU 68 Ca -0.01 -0.68 -0.15 0.00 -0.22 0.00 0.00 54.13 53.07 1i4g s LEU 68 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1i4g s LEU 68 CO -0.06 -0.22 0.35 -0.69 -1.32 0.00 0.00 176.35 174.40 1i4g s VAL 69 N 1.56 5.24 -0.18 1.68 1.01 0.12 -1.29 120.40 128.53 1i4g s VAL 69 Ca 0.03 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.55 1i4g s VAL 69 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1i4g s VAL 69 CO 0.05 0.29 0.03 -0.62 0.00 0.00 0.00 175.10 174.84 1i4g s ASP 70 N 0.96 5.28 0.41 3.32 3.68 0.88 -1.27 116.67 129.93 1i4g s ASP 70 Ca 0.17 -0.03 0.07 0.00 2.13 0.00 0.00 52.55 54.89 1i4g s ASP 70 Cb -0.14 -1.90 -0.05 0.00 -1.45 0.00 0.00 42.92 39.38 1i4g s ASP 70 CO 0.07 0.14 0.17 -0.36 0.13 0.00 0.00 175.17 175.32 1i4g s PHE 71 N 0.54 2.60 0.19 -5.34 0.40 -0.24 -2.00 117.98 114.12 1i4g s PHE 71 Ca 0.01 -0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 55.63 1i4g s PHE 71 Cb -0.13 -1.95 0.11 0.00 0.51 0.00 0.00 43.02 41.56 1i4g s PHE 71 CO 0.02 0.20 1.80 -0.44 0.70 0.00 0.00 175.22 177.49 1i4g h ASP 72 N 1.44 0.84 -5.06 1.36 3.45 -1.78 -3.46 116.42 113.21 1i4g h ASP 72 Ca -0.43 -0.10 0.09 0.00 0.43 0.00 0.00 57.03 57.02 1i4g h ASP 72 Cb 1.25 -0.21 -0.06 0.00 -0.56 0.00 0.00 39.33 39.75 1i4g h ASP 72 CO 0.71 0.70 0.28 -0.94 -1.57 0.00 0.00 179.24 178.41 1i4g s SER 73 N -5.99 -0.26 0.63 6.45 1.04 -1.26 -5.01 113.70 109.30 1i4g s SER 73 Ca -0.13 -0.53 0.39 0.00 0.48 0.00 0.00 55.95 56.16 1i4g s SER 73 Cb 0.14 0.67 2.12 0.00 0.10 0.00 0.00 66.02 69.05 1i4g s SER 73 CO 0.79 -1.24 2.28 0.50 0.98 0.00 0.00 173.24 176.55 1i4g h LYS 74 N 2.00 0.00 -0.10 4.02 3.64 -1.88 -2.71 116.57 121.55 1i4g h LYS 74 Ca -0.21 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1i4g h LYS 74 Cb 1.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 1i4g h LYS 74 CO 0.24 0.01 -0.03 -0.44 -2.27 0.00 0.00 179.45 176.97 1i4g h ASP 75 N 0.00 -0.10 -0.27 4.20 3.32 -1.95 -1.94 116.42 119.70 1i4g h ASP 75 Ca -0.00 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 1i4g h ASP 75 Cb 0.09 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1i4g h ASP 75 CO 0.00 -0.04 -0.21 0.40 -1.72 0.00 0.00 179.24 177.68 1i4g h ILE 76 N -0.00 1.31 -0.85 0.35 2.04 -1.90 -3.20 117.51 115.26 1i4g h ILE 76 Ca 0.05 -1.35 0.14 0.00 1.00 0.00 0.00 64.86 64.70 1i4g h ILE 76 Cb 0.08 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.68 1i4g h ILE 76 CO -0.10 0.42 0.55 0.58 0.00 0.00 0.00 178.15 179.61 1i4g h VAL 77 N 0.33 0.84 -0.67 1.67 2.07 -1.39 -2.49 116.25 116.61 1i4g h VAL 77 Ca 0.05 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.41 1i4g h VAL 77 Cb 0.75 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1i4g h VAL 77 CO 0.05 0.12 0.44 0.44 0.02 0.00 0.00 177.57 178.64 1i4g h ASP 78 N 0.63 0.63 0.62 0.57 3.45 -1.34 -1.19 116.42 119.79 1i4g h ASP 78 Ca 0.42 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.88 1i4g h ASP 78 Cb 0.73 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 1i4g h ASP 78 CO -0.18 0.42 0.00 0.29 -1.57 0.00 0.00 179.24 178.20 1i4g n LYS 79 N -4.47 0.06 0.00 3.56 5.02 -0.94 -3.87 118.16 117.52 1i4g n LYS 79 Ca 0.09 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1i4g n LYS 79 Cb 0.20 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 1i4g n LYS 79 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1i4g n TYR 80 N -1.71 0.00 -1.66 2.13 4.02 -0.59 -4.89 117.16 114.46 1i4g n TYR 80 Ca 0.03 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.45 1i4g n TYR 80 Cb 0.21 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.48 1i4g n TYR 80 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1i4g n LYS 81 N -1.80 2.03 0.00 -0.72 4.81 -0.55 -1.45 118.16 120.47 1i4g n LYS 81 Ca 0.00 0.73 0.00 0.00 -0.87 0.00 0.00 58.31 58.17 1i4g n LYS 81 Cb 0.35 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1i4g n LYS 81 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1i4g n GLY 82 N 3.40 2.35 3.90 3.14 0.00 -0.40 -4.98 105.19 112.61 1i4g n GLY 82 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1i4g n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4g s LYS 83 N 0.00 3.40 -0.15 1.61 -0.14 -0.53 -4.83 119.74 119.09 1i4g s LYS 83 Ca 0.00 0.30 -0.25 0.00 -1.36 0.00 0.00 55.97 54.66 1i4g s LYS 83 Cb 0.00 -2.27 -0.02 0.00 -1.68 0.00 0.00 37.83 33.87 1i4g s LYS 83 CO 0.00 -0.43 0.83 0.21 -0.76 0.00 0.00 175.35 175.20 1i4g s LYS 84 N -4.93 4.32 0.27 1.68 2.47 -1.26 -4.34 119.74 117.94 1i4g s LYS 84 Ca 0.51 1.03 0.03 0.00 -1.56 0.00 0.00 55.97 55.98 1i4g s LYS 84 Cb -0.11 -3.56 -0.06 0.00 -1.46 0.00 0.00 37.83 32.65 1i4g s LYS 84 CO 0.47 -0.28 0.03 0.14 0.16 0.00 0.00 175.35 175.87 1i4g s VAL 85 N 1.99 1.03 0.04 4.02 -7.23 0.73 -1.19 120.40 119.80 1i4g s VAL 85 Ca 0.39 -2.02 0.09 0.00 -1.81 0.00 0.00 61.98 58.62 1i4g s VAL 85 Cb -0.17 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1i4g s VAL 85 CO 0.14 -0.17 -0.24 -1.81 -0.31 0.00 0.00 175.10 172.70 1i4g s ASP 86 N -3.37 3.38 0.05 4.85 1.01 0.14 -0.99 116.67 121.74 1i4g s ASP 86 Ca 0.32 -0.53 0.08 0.00 0.71 0.00 0.00 52.55 53.13 1i4g s ASP 86 Cb 0.07 -0.40 -0.03 0.00 1.01 0.00 0.00 42.92 43.57 1i4g s ASP 86 CO 0.12 0.26 -0.24 -0.76 0.21 0.00 0.00 175.17 174.76 1i4g s LEU 87 N -1.30 2.17 -0.29 1.23 1.43 -0.23 -1.88 118.68 119.80 1i4g s LEU 87 Ca 0.13 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1i4g s LEU 87 Cb -0.10 -1.13 0.20 0.00 0.03 0.00 0.00 46.19 45.18 1i4g s LEU 87 CO 0.03 0.21 0.60 -0.47 0.23 0.00 0.00 176.35 176.95 1i4g s TYR 88 N -0.81 -1.73 0.09 0.29 6.04 -0.51 -1.81 117.35 118.91 1i4g s TYR 88 Ca 0.10 1.33 -0.25 0.00 0.04 0.00 0.00 57.07 58.29 1i4g s TYR 88 Cb -0.09 0.42 0.08 0.00 -1.04 0.00 0.00 41.96 41.33 1i4g s TYR 88 CO 0.02 -0.99 1.14 0.41 -1.54 0.00 0.00 175.55 174.59 1i4g n GLY 89 N 5.42 0.43 3.78 8.97 0.00 -0.78 -4.45 105.19 118.56 1i4g n GLY 89 Ca 0.03 -1.10 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1i4g n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4g s ALA 90 N -2.02 3.70 0.23 4.61 0.00 -1.26 -1.35 121.76 125.66 1i4g s ALA 90 Ca 0.26 -0.52 0.10 0.00 0.00 0.00 0.00 51.96 51.80 1i4g s ALA 90 Cb -0.02 -2.24 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 1i4g s ALA 90 CO 0.03 0.28 -0.10 1.52 0.00 0.00 0.00 175.76 177.50 1i4g s TYR 91 N -0.12 2.56 0.09 0.00 1.13 -1.26 -4.21 117.35 115.54 1i4g s TYR 91 Ca 0.15 -0.25 -0.04 0.00 -1.41 0.00 0.00 57.07 55.52 1i4g s TYR 91 Cb -0.13 -1.19 -0.03 0.00 -1.10 0.00 0.00 41.96 39.52 1i4g s TYR 91 CO 0.04 0.59 0.08 1.52 -2.51 0.00 0.00 175.55 175.27 1i4g s TYR 92 N -2.06 0.46 -0.07 -3.49 -0.85 0.92 -4.91 117.35 107.36 1i4g s TYR 92 Ca 0.28 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.92 1i4g s TYR 92 Cb -0.07 -0.27 -0.06 0.00 0.38 0.00 0.00 41.96 41.94 1i4g s TYR 92 CO 0.16 -0.49 -0.04 0.41 -1.52 0.00 0.00 175.55 174.07 1i4g n GLY 93 N -0.01 -0.16 3.66 5.49 0.00 -1.26 0.43 105.19 113.33 1i4g n GLY 93 Ca -0.12 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1i4g n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1i4g s TYR 94 N -2.15 1.66 -0.07 1.61 5.04 -1.26 -0.80 117.35 121.38 1i4g s TYR 94 Ca -0.08 -0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.44 1i4g s TYR 94 Cb 0.02 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.26 1i4g s TYR 94 CO 0.20 -4.66 0.00 1.04 -1.34 0.00 0.00 175.55 170.79 1i4g n GLN 95 N 7.30 -0.21 -2.60 4.97 1.13 -1.26 -4.40 117.38 122.31 1i4g n GLN 95 Ca 0.18 0.20 -0.43 0.00 -1.94 0.00 0.00 57.00 55.02 1i4g n GLN 95 Cb 0.42 -3.48 -0.02 0.00 0.11 0.00 0.00 30.24 27.26 1i4g n GLN 95 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1i4g s ALA 97 N 2.33 3.07 0.14 0.00 0.00 -1.26 -4.95 121.76 121.09 1i4g s ALA 97 Ca 0.50 -2.57 0.00 0.00 0.00 0.00 0.00 51.96 49.89 1i4g s ALA 97 Cb -0.20 -4.38 0.00 0.00 0.00 0.00 0.00 23.12 18.55 1i4g s ALA 97 CO 0.17 -3.33 0.00 0.41 0.00 0.00 0.00 175.76 173.01 1i4g n GLY 98 N 6.10 1.61 3.25 0.00 0.00 -1.26 -5.08 105.19 109.81 1i4g n GLY 98 Ca 0.33 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.25 1i4g n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i4g s GLY 99 N -0.71 1.88 -0.06 -0.02 0.00 -1.26 -5.04 107.32 102.11 1i4g s GLY 99 Ca 0.00 -1.85 -0.10 0.00 0.00 0.00 0.00 44.72 42.77 1i4g s GLY 99 CO 0.00 -1.46 0.26 -1.59 0.00 0.00 0.00 173.10 170.31 1i4g s THR 100 N -3.80 5.30 -0.10 0.90 2.01 -1.26 -4.18 115.64 114.51 1i4g s THR 100 Ca 0.39 0.46 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 1i4g s THR 100 Cb 0.05 -3.54 -0.19 0.00 0.01 0.00 0.00 72.50 68.83 1i4g s THR 100 CO 0.19 0.59 0.76 1.55 -0.69 0.00 0.00 174.62 177.01 1i4g h PRO 101 N 4.80 -0.05 0.00 4.92 0.13 -2.09 -3.51 132.00 136.19 1i4g h PRO 101 Ca -0.53 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.30 1i4g h PRO 101 Cb 1.22 0.01 0.13 0.00 0.13 0.00 0.00 31.00 32.49 1i4g h PRO 101 CO 0.60 0.59 0.27 0.09 -0.23 0.00 0.00 178.00 179.33 1i4g n ASN 102 N -4.75 -0.15 -4.71 1.44 4.13 -1.26 -5.06 115.26 104.90 1i4g n ASN 102 Ca -0.08 -1.29 -0.37 0.00 1.68 0.00 0.00 54.58 54.52 1i4g n ASN 102 Cb 0.33 -0.72 -0.07 0.00 -1.54 0.00 0.00 39.78 37.78 1i4g n ASN 102 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i4g s LYS 103 N -5.02 4.22 -0.11 3.52 1.02 -1.26 -4.53 119.74 117.57 1i4g s LYS 103 Ca 0.53 0.06 -0.03 0.00 0.02 0.00 0.00 55.97 56.55 1i4g s LYS 103 Cb -0.02 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 1i4g s LYS 103 CO 0.37 0.16 0.02 0.99 -0.92 0.00 0.00 175.35 175.97 1i4g s THR 104 N 0.73 4.41 0.14 2.17 2.01 -1.26 -1.82 115.64 122.02 1i4g s THR 104 Ca 0.16 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 62.02 1i4g s THR 104 Cb -0.13 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1i4g s THR 104 CO 0.05 0.57 0.03 0.00 -0.69 0.00 0.00 174.62 174.57 1i4g s ALA 105 N -0.52 3.31 0.21 7.40 0.00 -0.27 -4.78 121.76 127.10 1i4g s ALA 105 Ca 0.09 -1.24 0.10 0.00 0.00 0.00 0.00 51.96 50.91 1i4g s ALA 105 Cb -0.12 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1i4g s ALA 105 CO 0.02 0.57 -0.12 0.00 0.00 0.00 0.00 175.76 176.24 1i4g s MET 107 N -3.00 0.45 -0.30 0.00 0.00 -0.41 -0.06 119.30 115.98 1i4g s MET 107 Ca 0.26 0.30 -0.12 0.00 0.00 0.00 0.00 55.69 56.12 1i4g s MET 107 Cb -0.08 0.21 -0.04 0.00 0.00 0.00 0.00 34.83 34.93 1i4g s MET 107 CO 0.15 -0.08 0.23 0.71 0.00 0.00 0.00 175.02 176.03 1i4g s TYR 108 N -0.19 3.22 0.00 4.11 1.51 -1.26 -0.09 117.35 124.66 1i4g s TYR 108 Ca -0.03 0.04 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1i4g s TYR 108 Cb -0.03 -2.44 0.00 0.00 -0.11 0.00 0.00 41.96 39.38 1i4g s TYR 108 CO 0.01 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 1i4g n GLY 109 N 5.04 3.07 2.10 0.71 0.00 -0.85 -4.44 105.19 110.81 1i4g n GLY 109 Ca -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 1i4g n GLY 109 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4g n GLY 110 N 0.00 0.57 3.44 -0.02 0.00 -1.26 -4.84 105.19 103.08 1i4g n GLY 110 Ca 0.00 -0.87 -0.33 0.00 0.00 0.00 0.00 46.02 44.82 1i4g n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1i4g s VAL 111 N -2.14 2.97 0.02 1.61 1.01 -1.26 -1.43 120.40 121.17 1i4g s VAL 111 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 1i4g s VAL 111 Cb 0.00 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1i4g s VAL 111 CO 0.00 0.58 0.00 0.42 0.00 0.00 0.00 175.10 176.10 1i4g s THR 112 N -0.51 0.11 0.35 3.92 -4.23 -0.79 -4.91 115.64 109.59 1i4g s THR 112 Ca 0.07 -0.95 -0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1i4g s THR 112 Cb -0.12 -0.41 -0.10 0.00 1.34 0.00 0.00 72.50 73.21 1i4g s THR 112 CO 0.01 -0.52 1.31 -0.76 -0.54 0.00 0.00 174.62 174.12 1i4g s LEU 113 N -1.59 4.38 -0.07 4.79 1.43 -1.26 -0.68 118.68 125.67 1i4g s LEU 113 Ca -0.14 2.68 -0.25 0.00 -1.03 0.00 0.00 54.13 55.40 1i4g s LEU 113 Cb -0.08 -3.71 -0.26 0.00 0.03 0.00 0.00 46.19 42.17 1i4g s LEU 113 CO -0.01 -0.61 0.92 -0.74 0.23 0.00 0.00 176.35 176.14 1i4g h HIS 114 N 3.21 0.29 -2.63 0.29 -0.00 -1.44 -3.43 115.15 111.44 1i4g h HIS 114 Ca -0.49 -0.19 -0.52 0.00 -0.00 0.00 0.00 60.37 59.17 1i4g h HIS 114 Cb 1.23 -0.02 0.05 0.00 -0.00 0.00 0.00 27.41 28.67 1i4g h HIS 114 CO 0.55 1.08 1.04 -0.51 -0.00 0.00 0.00 177.93 180.09 1i4g s ASP 115 N -6.50 6.39 -1.58 3.26 -0.00 -1.26 -3.08 116.67 113.90 1i4g s ASP 115 Ca -0.16 2.83 0.00 0.00 -0.00 0.00 0.00 52.55 55.23 1i4g s ASP 115 Cb -0.00 -2.59 0.00 0.00 -0.00 0.00 0.00 42.92 40.33 1i4g s ASP 115 CO 0.76 -0.98 0.00 0.59 -0.00 0.00 0.00 175.17 175.54 1i4g n ASN 116 N 4.48 -4.94 -0.01 0.27 3.02 -1.26 -4.82 115.26 112.00 1i4g n ASN 116 Ca 0.16 0.17 0.08 0.00 -0.03 0.00 0.00 54.58 54.96 1i4g n ASN 116 Cb 0.36 -4.22 -0.12 0.00 -0.61 0.00 0.00 39.78 35.19 1i4g n ASN 116 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1i4g n ASN 117 N -1.67 1.23 -4.69 6.41 5.15 -1.18 -4.93 115.26 115.59 1i4g n ASN 117 Ca -0.20 -0.07 -0.42 0.00 -0.60 0.00 0.00 54.58 53.29 1i4g n ASN 117 Cb 0.63 1.69 -0.03 0.00 -0.53 0.00 0.00 39.78 41.54 1i4g n ASN 117 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1i4g s ARG 118 N -3.08 4.29 0.36 1.20 3.52 -1.26 -0.47 118.95 123.50 1i4g s ARG 118 Ca -0.05 1.96 -0.23 0.00 -0.13 0.00 0.00 55.73 57.28 1i4g s ARG 118 Cb 0.11 -3.55 -0.10 0.00 -1.56 0.00 0.00 34.95 29.84 1i4g s ARG 118 CO 0.68 -0.56 0.93 -0.51 -0.81 0.00 0.00 175.30 175.03 1i4g s LEU 119 N 2.29 4.17 0.40 -0.88 1.43 -0.37 -4.89 118.68 120.85 1i4g s LEU 119 Ca 0.64 1.74 0.09 0.00 -1.03 0.00 0.00 54.13 55.56 1i4g s LEU 119 Cb -0.31 -4.20 0.84 0.00 0.03 0.00 0.00 46.19 42.55 1i4g s LEU 119 CO 0.27 -0.18 1.98 0.71 0.23 0.00 0.00 176.35 179.35 1i4g h THR 120 N 2.32 1.14 -3.31 5.49 1.35 -1.95 -3.42 112.91 114.52 1i4g h THR 120 Ca -0.48 -0.51 -0.21 0.00 -0.55 0.00 0.00 66.41 64.66 1i4g h THR 120 Cb 1.19 0.95 -0.29 0.00 -1.73 0.00 0.00 68.15 68.27 1i4g h THR 120 CO 0.63 0.18 -0.56 -1.83 -0.25 0.00 0.00 175.52 173.69 1i4g s GLU 121 N -5.02 0.14 -0.02 4.72 -1.05 -1.26 -5.13 118.70 111.08 1i4g s GLU 121 Ca -0.06 0.29 -0.40 0.00 -0.15 0.00 0.00 54.97 54.64 1i4g s GLU 121 Cb 0.16 -0.02 -0.19 0.00 -0.44 0.00 0.00 34.13 33.63 1i4g s GLU 121 CO 0.73 -0.08 1.15 -1.91 0.95 0.00 0.00 175.26 176.10 1i4g n GLU 122 N 3.51 0.18 -3.42 -4.83 2.13 -1.26 -4.95 120.64 112.01 1i4g n GLU 122 Ca -0.18 0.07 -0.37 0.00 0.66 0.00 0.00 57.16 57.33 1i4g n GLU 122 Cb 0.56 -1.59 -0.07 0.00 0.27 0.00 0.00 31.44 30.61 1i4g n GLU 122 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1i4g s LYS 123 N 0.29 4.27 -0.26 5.31 2.47 0.58 -4.94 119.74 127.47 1i4g s LYS 123 Ca 0.91 0.25 -0.08 0.00 -1.56 0.00 0.00 55.97 55.49 1i4g s LYS 123 Cb -1.23 -3.46 -0.03 0.00 -1.46 0.00 0.00 37.83 31.65 1i4g s LYS 123 CO 0.57 0.14 0.09 0.15 0.16 0.00 0.00 175.35 176.46 1i4g s LYS 124 N 0.72 3.67 -0.33 4.03 1.02 -1.26 -0.05 119.74 127.53 1i4g s LYS 124 Ca 0.21 -0.48 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 1i4g s LYS 124 Cb -0.14 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 1i4g s LYS 124 CO 0.07 -0.20 0.52 0.08 -0.92 0.00 0.00 175.35 174.90 1i4g s VAL 125 N 1.63 5.02 0.23 3.17 1.01 0.22 -5.00 120.40 126.68 1i4g s VAL 125 Ca 0.06 0.46 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1i4g s VAL 125 Cb -0.15 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.16 1i4g s VAL 125 CO 0.05 -0.16 1.63 -2.65 0.00 0.00 0.00 175.10 173.97 1i4g n PRO 126 N 5.72 2.59 -4.10 2.72 -0.02 -1.26 -4.50 135.00 136.14 1i4g n PRO 126 Ca -0.04 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 1i4g n PRO 126 Cb 0.49 -2.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.09 1i4g n PRO 126 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i4g s ILE 127 N 0.64 2.16 -0.37 4.25 1.01 -1.26 -0.79 121.20 126.84 1i4g s ILE 127 Ca 0.71 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 60.29 1i4g s ILE 127 Cb -0.54 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.99 1i4g s ILE 127 CO 0.40 0.50 0.26 0.20 0.00 0.00 0.00 174.94 176.30 1i4g s ASN 128 N 1.29 6.07 -0.11 3.58 0.01 -0.17 -4.53 114.94 121.08 1i4g s ASN 128 Ca 0.04 -0.60 0.03 0.00 -0.71 0.00 0.00 52.86 51.62 1i4g s ASN 128 Cb -0.13 -2.14 0.00 0.00 0.41 0.00 0.00 41.25 39.39 1i4g s ASN 128 CO -0.12 -0.31 -0.23 -0.22 -1.51 0.00 0.00 177.10 174.71 1i4g s LEU 129 N 1.70 2.07 -0.07 0.60 0.20 -1.26 -0.47 118.68 121.45 1i4g s LEU 129 Ca 0.06 -0.56 0.05 0.00 0.69 0.00 0.00 54.13 54.37 1i4g s LEU 129 Cb -0.18 -1.39 -0.01 0.00 -0.43 0.00 0.00 46.19 44.18 1i4g s LEU 129 CO 0.10 0.12 -0.23 0.26 -0.29 0.00 0.00 176.35 176.32 1i4g s TRP 130 N 0.53 2.51 -0.25 5.38 0.51 -0.09 -1.16 118.94 126.38 1i4g s TRP 130 Ca -0.14 -0.67 -0.00 0.00 -2.12 0.00 0.00 56.10 53.16 1i4g s TRP 130 Cb -0.17 -1.63 0.03 0.00 -0.81 0.00 0.00 33.47 30.89 1i4g s TRP 130 CO 0.05 -0.18 -0.08 -1.17 -0.51 0.00 0.00 176.95 175.05 1i4g s LEU 131 N -0.14 3.17 -1.55 2.99 2.96 -0.12 -0.27 118.68 125.71 1i4g s LEU 131 Ca -0.04 -0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 52.76 1i4g s LEU 131 Cb -0.14 -1.62 0.09 0.00 0.50 0.00 0.00 46.19 45.02 1i4g s LEU 131 CO 0.04 -0.13 0.92 0.47 -1.32 0.00 0.00 176.35 176.32 1i4g n ASP 132 N 4.61 -4.21 0.00 3.68 8.00 0.73 -1.24 116.55 128.13 1i4g n ASP 132 Ca -0.16 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.50 1i4g n ASP 132 Cb 0.46 -3.65 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1i4g n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1i4g n GLY 133 N -1.64 3.18 3.70 0.44 0.00 -1.26 -5.02 105.19 104.60 1i4g n GLY 133 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1i4g n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4g s LYS 134 N -0.42 4.34 0.08 1.61 1.02 -0.37 -4.99 119.74 121.00 1i4g s LYS 134 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 1i4g s LYS 134 Cb 0.00 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.78 1i4g s LYS 134 CO 0.00 0.02 1.10 -1.14 -0.92 0.00 0.00 175.35 174.41 1i4g s GLN 135 N 1.04 4.52 0.27 1.68 0.74 -1.26 -0.94 119.66 125.71 1i4g s GLN 135 Ca 0.31 1.65 0.08 0.00 0.05 0.00 0.00 55.36 57.45 1i4g s GLN 135 Cb -0.16 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.55 1i4g s GLN 135 CO 0.13 -0.09 0.11 -0.80 -0.55 0.00 0.00 175.29 174.09 1i4g s ASN 136 N 0.69 4.98 0.18 6.67 0.02 -0.31 -4.96 114.94 122.21 1i4g s ASN 136 Ca 0.54 -0.50 -0.23 0.00 -1.02 0.00 0.00 52.86 51.65 1i4g s ASN 136 Cb -0.27 -1.05 -0.08 0.00 0.02 0.00 0.00 41.25 39.87 1i4g s ASN 136 CO 0.30 -0.07 0.75 -0.89 0.02 0.00 0.00 177.10 177.21 1i4g s THR 137 N -2.26 4.45 -0.13 1.60 2.01 -1.26 -4.32 115.64 115.73 1i4g s THR 137 Ca 0.33 1.54 -0.00 0.00 0.31 0.00 0.00 61.69 63.87 1i4g s THR 137 Cb -0.06 -4.02 0.03 0.00 0.01 0.00 0.00 72.50 68.45 1i4g s THR 137 CO 0.23 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.78 1i4g s VAL 138 N -1.29 1.16 0.33 3.82 1.01 -1.26 -5.03 120.40 119.14 1i4g s VAL 138 Ca 0.38 -0.41 -0.28 0.00 0.00 0.00 0.00 61.98 61.67 1i4g s VAL 138 Cb -0.21 -1.18 -0.13 0.00 0.00 0.00 0.00 36.38 34.87 1i4g s VAL 138 CO 0.24 0.35 1.25 -0.81 0.00 0.00 0.00 175.10 176.13 1i4g n PRO 139 N 4.90 2.00 0.14 2.72 -0.04 -1.26 -4.84 135.00 138.61 1i4g n PRO 139 Ca -0.13 0.70 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 1i4g n PRO 139 Cb 0.50 -2.25 0.51 0.00 -0.04 0.00 0.00 33.50 32.22 1i4g n PRO 139 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i4g n LEU 140 N 0.89 0.56 -0.11 1.53 4.77 -1.26 -2.03 117.00 121.34 1i4g n LEU 140 Ca 0.06 0.70 0.14 0.00 -0.03 0.00 0.00 56.01 56.88 1i4g n LEU 140 Cb 0.35 -0.70 0.59 0.00 -2.33 0.00 0.00 43.42 41.33 1i4g n LEU 140 CO 0.62 -0.75 0.86 1.21 -1.33 0.00 0.00 177.39 177.99 1i4g n GLU 141 N -2.19 0.66 0.02 3.23 2.13 -1.26 -4.31 120.64 118.92 1i4g n GLU 141 Ca 0.00 -0.23 -0.11 0.00 0.66 0.00 0.00 57.16 57.49 1i4g n GLU 141 Cb 0.11 -1.50 -0.05 0.00 0.27 0.00 0.00 31.44 30.28 1i4g n GLU 141 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1i4g h THR 142 N 0.56 0.81 -3.14 6.31 2.02 -1.76 -3.41 112.91 114.30 1i4g h THR 142 Ca 0.00 0.00 -0.63 0.00 0.77 0.00 0.00 66.41 66.55 1i4g h THR 142 Cb 0.37 0.81 -0.35 0.00 -1.74 0.00 0.00 68.15 67.23 1i4g h THR 142 CO 0.00 0.00 -0.85 -0.69 0.37 0.00 0.00 175.52 174.35 1i4g s VAL 143 N -6.18 1.76 0.03 3.16 1.01 -1.26 -4.73 120.40 114.19 1i4g s VAL 143 Ca -0.14 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1i4g s VAL 143 Cb 0.08 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 1i4g s VAL 143 CO 0.67 0.49 -0.05 -1.59 0.00 0.00 0.00 175.10 174.63 1i4g s LYS 144 N 1.24 0.41 0.05 2.72 -2.85 -1.26 -0.61 119.74 119.45 1i4g s LYS 144 Ca 0.01 -0.71 -0.07 0.00 -1.00 0.00 0.00 55.97 54.20 1i4g s LYS 144 Cb -0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.61 1i4g s LYS 144 CO -0.08 -0.02 0.14 -0.08 0.10 0.00 0.00 175.35 175.41 1i4g s THR 145 N -1.63 0.14 -0.35 3.79 -1.32 0.93 -4.97 115.64 112.22 1i4g s THR 145 Ca -0.12 -1.11 0.12 0.00 -1.21 0.00 0.00 61.69 59.36 1i4g s THR 145 Cb -0.09 -1.08 0.30 0.00 -1.51 0.00 0.00 72.50 70.13 1i4g s THR 145 CO -0.01 -0.61 1.23 0.59 -2.21 0.00 0.00 174.62 173.60 1i4g n ASN 146 N 0.45 2.90 -4.60 8.08 4.13 -1.26 -0.30 115.26 124.66 1i4g n ASN 146 Ca -0.17 -2.51 -0.33 0.00 1.68 0.00 0.00 54.58 53.25 1i4g n ASN 146 Cb 0.60 -0.31 -0.10 0.00 -1.54 0.00 0.00 39.78 38.42 1i4g n ASN 146 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1i4g s LYS 147 N -1.90 2.61 -0.07 3.52 1.02 -1.26 -1.23 119.74 122.43 1i4g s LYS 147 Ca 0.26 -0.67 -0.23 0.00 0.02 0.00 0.00 55.97 55.34 1i4g s LYS 147 Cb 0.19 -2.53 -0.18 0.00 -0.52 0.00 0.00 37.83 34.78 1i4g s LYS 147 CO 0.08 0.62 0.90 0.87 -0.92 0.00 0.00 175.35 176.90 1i4g h LYS 148 N 4.68 -0.10 -4.80 1.68 1.57 -1.12 -3.42 116.57 115.07 1i4g h LYS 148 Ca -0.48 0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 57.63 1i4g h LYS 148 Cb 1.17 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 33.28 1i4g h LYS 148 CO 0.54 0.45 -0.56 -0.80 -0.57 0.00 0.00 179.45 178.51 1i4g s ASN 149 N -5.70 5.53 0.02 0.86 0.01 -1.26 -0.91 114.94 113.49 1i4g s ASN 149 Ca -0.14 -0.48 0.07 0.00 -0.71 0.00 0.00 52.86 51.60 1i4g s ASN 149 Cb -0.00 -2.00 -0.02 0.00 0.41 0.00 0.00 41.25 39.64 1i4g s ASN 149 CO 0.55 -0.18 -0.21 0.54 -1.51 0.00 0.00 177.10 176.29 1i4g s VAL 150 N 1.62 1.69 0.42 1.60 0.11 -0.20 -4.92 120.40 120.72 1i4g s VAL 150 Ca 0.05 -1.08 -0.24 0.00 -2.93 0.00 0.00 61.98 57.79 1i4g s VAL 150 Cb -0.17 -1.44 -0.08 0.00 -1.53 0.00 0.00 36.38 33.16 1i4g s VAL 150 CO 0.06 0.33 1.09 0.42 -3.33 0.00 0.00 175.10 173.68 1i4g s THR 151 N -0.66 3.49 0.44 5.04 -4.23 -1.26 -0.63 115.64 117.83 1i4g s THR 151 Ca 0.08 1.13 0.11 0.00 -1.18 0.00 0.00 61.69 61.83 1i4g s THR 151 Cb -0.09 -3.58 0.24 0.00 1.34 0.00 0.00 72.50 70.42 1i4g s THR 151 CO 0.01 -0.00 2.06 0.58 -0.54 0.00 0.00 174.62 176.73 1i4g h VAL 152 N 2.08 1.08 -0.85 2.29 2.07 -1.50 -2.49 116.25 118.93 1i4g h VAL 152 Ca -0.49 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 66.86 1i4g h VAL 152 Cb 1.23 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1i4g h VAL 152 CO 0.62 0.10 0.51 -0.61 0.02 0.00 0.00 177.57 178.20 1i4g h GLN 153 N 0.30 0.88 -0.43 1.57 4.15 -1.91 0.14 115.11 119.81 1i4g h GLN 153 Ca 0.08 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.45 1i4g h GLN 153 Cb 0.05 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 1i4g h GLN 153 CO -0.01 0.58 0.28 1.49 -1.93 0.00 0.00 178.83 179.24 1i4g h GLU 154 N 0.91 0.55 -0.12 1.69 4.81 -1.66 -0.24 114.58 120.52 1i4g h GLU 154 Ca 0.39 -0.03 -0.21 0.00 -0.13 0.00 0.00 59.36 59.37 1i4g h GLU 154 Cb 0.25 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.51 1i4g h GLU 154 CO -0.20 0.36 -0.77 -0.07 -0.73 0.00 0.00 179.01 177.60 1i4g h LEU 155 N 0.57 0.78 -0.56 1.64 3.38 -1.35 -3.13 115.31 116.64 1i4g h LEU 155 Ca 0.16 -0.52 -0.09 0.00 0.09 0.00 0.00 57.88 57.52 1i4g h LEU 155 Cb -0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1i4g h LEU 155 CO -0.04 1.30 0.00 -0.78 0.09 0.00 0.00 178.44 179.01 1i4g h ASP 156 N 0.44 0.97 -0.41 -0.43 3.58 -0.57 -0.64 116.42 119.36 1i4g h ASP 156 Ca -0.05 -0.31 0.01 0.00 0.42 0.00 0.00 57.03 57.11 1i4g h ASP 156 Cb 1.39 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 42.15 1i4g h ASP 156 CO 0.15 1.04 0.25 -0.07 -2.88 0.00 0.00 179.24 177.72 1i4g h LEU 157 N 0.87 0.41 -0.11 2.28 3.38 -1.09 -1.27 115.31 119.78 1i4g h LEU 157 Ca 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1i4g h LEU 157 Cb 0.54 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1i4g h LEU 157 CO 0.03 0.30 0.05 1.56 0.09 0.00 0.00 178.44 180.47 1i4g h GLN 158 N 0.50 0.15 -0.57 1.13 4.20 -1.45 -2.13 115.11 116.95 1i4g h GLN 158 Ca 0.16 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.86 1i4g h GLN 158 Cb -0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1i4g h GLN 158 CO -0.06 0.22 0.36 0.00 -0.67 0.00 0.00 178.83 178.69 1i4g h ALA 159 N 0.92 0.72 0.00 3.87 0.00 -0.96 -3.05 119.26 120.76 1i4g h ALA 159 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1i4g h ALA 159 Cb 0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1i4g h ALA 159 CO -0.00 0.12 -0.57 0.00 0.00 0.00 0.00 179.25 178.79 1i4g h ARG 160 N 0.73 0.00 -0.92 0.00 3.08 -1.19 -1.99 114.38 114.09 1i4g h ARG 160 Ca 0.22 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.27 1i4g h ARG 160 Cb -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 1i4g h ARG 160 CO -0.07 0.57 0.60 -0.09 -1.07 0.00 0.00 179.97 179.92 1i4g h ARG 161 N 0.00 1.22 -0.21 0.04 2.43 -1.28 -0.72 114.38 115.86 1i4g h ARG 161 Ca -0.01 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.00 1i4g h ARG 161 Cb 1.04 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 30.32 1i4g h ARG 161 CO 0.07 0.82 -0.18 -0.92 -1.51 0.00 0.00 179.97 178.25 1i4g h TYR 162 N 1.25 0.58 0.00 2.20 3.20 -1.42 -1.33 116.97 121.45 1i4g h TYR 162 Ca 0.34 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1i4g h TYR 162 Cb -0.13 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.02 1i4g h TYR 162 CO -0.00 0.82 -0.05 -0.07 -1.64 0.00 0.00 178.16 177.22 1i4g h LEU 163 N 0.17 0.00 0.09 2.82 3.38 -0.91 0.56 115.31 121.42 1i4g h LEU 163 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1i4g h LEU 163 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1i4g h LEU 163 CO 0.05 0.05 -0.04 -0.61 0.09 0.00 0.00 178.44 177.97 1i4g h GLN 164 N 0.00 -0.11 0.10 1.13 5.75 -0.95 0.56 115.11 121.58 1i4g h GLN 164 Ca -0.00 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.52 1i4g h GLN 164 Cb 0.09 0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 1i4g h GLN 164 CO 0.01 0.42 -0.23 0.93 -2.65 0.00 0.00 178.83 177.31 1i4g h GLU 165 N -0.86 -0.40 0.15 1.69 5.08 -0.93 0.42 114.58 119.73 1i4g h GLU 165 Ca -0.01 0.03 -0.29 0.00 -1.00 0.00 0.00 59.36 58.08 1i4g h GLU 165 Cb 0.58 0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.94 1i4g h GLU 165 CO 0.02 -0.27 -1.28 -0.22 -1.00 0.00 0.00 179.01 176.27 1i4g h LYS 166 N -0.41 0.42 -0.15 2.33 3.11 -1.03 -3.39 116.57 117.44 1i4g h LYS 166 Ca 0.03 -0.65 0.00 0.00 -2.81 0.00 0.00 60.65 57.22 1i4g h LYS 166 Cb 0.44 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 1i4g h LYS 166 CO -0.14 1.29 0.00 0.66 -2.81 0.00 0.00 179.45 178.46 1i4g n TYR 167 N -3.65 0.20 -3.58 1.91 4.02 0.17 -5.00 117.16 111.23 1i4g n TYR 167 Ca -0.11 -0.41 -0.26 0.00 -0.01 0.00 0.00 57.90 57.11 1i4g n TYR 167 Cb 1.02 -0.03 -0.00 0.00 -0.02 0.00 0.00 39.34 40.31 1i4g n TYR 167 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1i4g n ASN 168 N 0.08 -3.84 -0.34 7.72 3.02 0.14 -4.59 115.26 117.45 1i4g n ASN 168 Ca 0.06 -0.55 0.04 0.00 -0.03 0.00 0.00 54.58 54.10 1i4g n ASN 168 Cb 0.30 -3.15 0.12 0.00 -0.61 0.00 0.00 39.78 36.44 1i4g n ASN 168 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1i4g h LEU 169 N -1.21 -0.97 -3.82 3.41 5.85 -1.68 -2.20 115.31 114.69 1i4g h LEU 169 Ca -0.48 0.29 -0.46 0.00 0.84 0.00 0.00 57.88 58.07 1i4g h LEU 169 Cb 1.32 0.61 -0.26 0.00 0.37 0.00 0.00 40.66 42.70 1i4g h LEU 169 CO 0.59 -0.31 0.44 -1.22 -0.34 0.00 0.00 178.44 177.60 1i4g n TYR 170 N -5.58 2.59 -3.82 1.25 0.53 -1.26 -4.82 117.16 106.04 1i4g n TYR 170 Ca 0.14 -2.03 -0.30 0.00 -1.02 0.00 0.00 57.90 54.70 1i4g n TYR 170 Cb 0.47 -0.90 -0.04 0.00 -1.03 0.00 0.00 39.34 37.84 1i4g n TYR 170 CO 0.00 0.00 0.00 -0.80 -1.02 0.00 0.00 176.86 175.04 1i4g s ASN 171 N -1.83 6.39 0.71 7.72 -0.87 -0.83 -4.62 114.94 121.61 1i4g s ASN 171 Ca 0.55 0.36 -0.12 0.00 -1.57 0.00 0.00 52.86 52.08 1i4g s ASN 171 Cb 0.46 -1.99 0.02 0.00 -0.02 0.00 0.00 41.25 39.72 1i4g s ASN 171 CO 0.06 0.08 1.08 -0.94 -2.57 0.00 0.00 177.10 174.80 1i4g s SER 172 N -2.75 5.05 0.30 -1.22 1.04 -1.26 -4.28 113.70 110.58 1i4g s SER 172 Ca 0.37 1.78 0.05 0.00 0.48 0.00 0.00 55.95 58.63 1i4g s SER 172 Cb -0.12 -2.52 0.73 0.00 0.10 0.00 0.00 66.02 64.21 1i4g s SER 172 CO 0.27 -1.67 1.76 0.44 0.98 0.00 0.00 173.24 175.02 1i4g h ASP 173 N -0.63 0.69 -0.62 7.02 3.32 -1.96 0.67 116.42 124.92 1i4g h ASP 173 Ca -0.44 0.11 0.13 0.00 0.02 0.00 0.00 57.03 56.84 1i4g h ASP 173 Cb 1.22 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.73 1i4g h ASP 173 CO 0.54 0.22 0.42 0.58 -1.72 0.00 0.00 179.24 179.28 1i4g h VAL 174 N 0.68 0.83 -1.09 -1.35 2.07 -1.92 -2.29 116.25 113.18 1i4g h VAL 174 Ca 0.57 -0.10 -0.65 0.00 0.82 0.00 0.00 66.70 67.34 1i4g h VAL 174 Cb 0.93 0.49 -0.27 0.00 -1.52 0.00 0.00 31.29 30.93 1i4g h VAL 174 CO -0.41 0.06 0.84 0.49 0.02 0.00 0.00 177.57 178.57 1i4g n PHE 175 N -4.45 2.96 -1.27 1.57 3.72 0.22 -4.87 117.46 115.34 1i4g n PHE 175 Ca 0.11 -2.78 -0.09 0.00 -0.05 0.00 0.00 57.45 54.64 1i4g n PHE 175 Cb 0.48 -1.36 -0.04 0.00 -0.94 0.00 0.00 39.48 37.62 1i4g n PHE 175 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1i4g n ASP 176 N -0.67 -4.50 -4.54 4.37 9.92 -0.86 -4.74 116.55 115.53 1i4g n ASP 176 Ca 0.57 0.23 -0.41 0.00 -0.53 0.00 0.00 54.79 54.65 1i4g n ASP 176 Cb 0.58 -2.81 -0.03 0.00 -0.64 0.00 0.00 41.12 38.22 1i4g n ASP 176 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1i4g s GLY 177 N -2.68 1.21 0.12 0.44 0.00 -1.14 -4.77 107.32 100.51 1i4g s GLY 177 Ca 0.00 -1.98 0.23 0.00 0.00 0.00 0.00 44.72 42.97 1i4g s GLY 177 CO 0.00 2.55 0.97 0.28 0.00 0.00 0.00 173.10 176.90 1i4g n LYS 178 N 8.70 0.51 -2.49 2.90 5.02 -1.26 -4.09 118.16 127.45 1i4g n LYS 178 Ca 0.19 0.04 -0.42 0.00 -2.02 0.00 0.00 58.31 56.10 1i4g n LYS 178 Cb 0.50 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1i4g n LYS 178 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1i4g s VAL 179 N -3.33 4.06 -0.11 -0.18 1.01 -1.26 -4.39 120.40 116.19 1i4g s VAL 179 Ca -0.00 1.58 0.11 0.00 0.00 0.00 0.00 61.98 63.67 1i4g s VAL 179 Cb 0.12 -4.01 -0.15 0.00 0.00 0.00 0.00 36.38 32.33 1i4g s VAL 179 CO 0.81 0.18 0.06 0.00 0.00 0.00 0.00 175.10 176.15 1i4g n GLN 180 N 3.32 1.92 -3.99 2.72 1.13 0.12 -4.82 117.38 117.77 1i4g n GLN 180 Ca 0.06 -0.02 -0.08 0.00 -1.94 0.00 0.00 57.00 55.03 1i4g n GLN 180 Cb 0.47 -1.31 -0.09 0.00 0.11 0.00 0.00 30.24 29.42 1i4g n GLN 180 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1i4g s ARG 181 N -2.34 0.69 -0.19 -1.09 0.52 -1.04 -0.70 118.95 114.80 1i4g s ARG 181 Ca -0.06 -1.07 -0.29 0.00 -0.52 0.00 0.00 55.73 53.79 1i4g s ARG 181 Cb 0.04 0.26 0.13 0.00 0.52 0.00 0.00 34.95 35.90 1i4g s ARG 181 CO 0.49 -0.17 1.04 0.20 0.02 0.00 0.00 175.30 176.88 1i4g s GLY 182 N -2.81 -0.20 -0.00 -3.53 0.00 -1.26 -1.29 107.32 98.23 1i4g s GLY 182 Ca 0.05 2.24 0.03 0.00 0.00 0.00 0.00 44.72 47.04 1i4g s GLY 182 CO -0.10 1.20 -0.10 -2.27 0.00 0.00 0.00 173.10 171.82 1i4g s LEU 183 N -0.85 2.04 -0.09 0.66 2.96 0.04 -0.81 118.68 122.64 1i4g s LEU 183 Ca 0.00 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 1i4g s LEU 183 Cb -0.01 -0.52 0.01 0.00 0.50 0.00 0.00 46.19 46.17 1i4g s LEU 183 CO -0.01 0.10 -0.14 -0.51 -1.32 0.00 0.00 176.35 174.47 1i4g s ILE 184 N -0.34 1.36 -0.12 6.68 2.07 -0.37 -0.56 121.20 129.92 1i4g s ILE 184 Ca 0.03 -0.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.70 1i4g s ILE 184 Cb -0.05 -1.24 -0.01 0.00 0.13 0.00 0.00 42.46 41.30 1i4g s ILE 184 CO -0.00 0.41 -0.19 -0.69 -1.91 0.00 0.00 174.94 172.56 1i4g s VAL 185 N 0.78 2.52 -0.45 4.00 1.01 0.45 -0.61 120.40 128.09 1i4g s VAL 185 Ca -0.12 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1i4g s VAL 185 Cb -0.16 -2.02 0.10 0.00 0.00 0.00 0.00 36.38 34.31 1i4g s VAL 185 CO 0.02 0.54 0.32 -0.36 0.00 0.00 0.00 175.10 175.63 1i4g s PHE 186 N 0.44 3.37 -0.29 5.22 0.40 -0.10 -1.66 117.98 125.37 1i4g s PHE 186 Ca -0.13 -1.63 -0.13 0.00 -0.60 0.00 0.00 56.93 54.43 1i4g s PHE 186 Cb -0.17 -3.28 -0.04 0.00 0.51 0.00 0.00 43.02 40.04 1i4g s PHE 186 CO 0.06 -0.92 0.28 0.00 0.70 0.00 0.00 175.22 175.34 1i4g s ALA 187 N 1.42 3.54 0.21 5.36 0.00 -0.62 -1.72 121.76 129.95 1i4g s ALA 187 Ca 0.04 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1i4g s ALA 187 Cb -0.25 -2.62 -0.04 0.00 0.00 0.00 0.00 23.12 20.21 1i4g s ALA 187 CO 0.01 -0.68 -0.12 0.95 0.00 0.00 0.00 175.76 175.93 1i4g s THR 188 N 1.91 3.01 -0.05 0.00 -4.23 -1.26 -2.03 115.64 112.98 1i4g s THR 188 Ca 0.11 -1.85 0.13 0.00 -1.18 0.00 0.00 61.69 58.90 1i4g s THR 188 Cb -0.16 -2.51 -0.15 0.00 1.34 0.00 0.00 72.50 71.01 1i4g s THR 188 CO 0.11 -0.19 0.94 0.77 -0.54 0.00 0.00 174.62 175.71 1i4g h SER 189 N 2.72 0.00 -0.19 3.99 4.64 -1.92 -3.38 113.55 119.41 1i4g h SER 189 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1i4g h SER 189 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1i4g h SER 189 CO 0.55 0.79 0.00 0.35 -0.87 0.00 0.00 176.83 177.65 1i4g n THR 190 N -3.08 0.23 -3.52 2.95 -2.24 -1.26 -4.93 114.28 102.44 1i4g n THR 190 Ca -0.09 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.08 1i4g n THR 190 Cb 0.92 0.67 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 1i4g n THR 190 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1i4g s GLU 191 N -1.77 1.08 0.79 -0.78 -1.05 -1.26 -5.14 118.70 110.57 1i4g s GLU 191 Ca 0.34 0.03 -0.14 0.00 -0.15 0.00 0.00 54.97 55.05 1i4g s GLU 191 Cb 0.20 0.51 0.03 0.00 -0.44 0.00 0.00 34.13 34.42 1i4g s GLU 191 CO 0.29 -0.37 0.85 -0.35 0.95 0.00 0.00 175.26 176.63 1i4g n PRO 192 N 0.60 0.20 -1.08 -4.83 -0.04 -1.26 -4.30 135.00 124.30 1i4g n PRO 192 Ca -0.19 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 1i4g n PRO 192 Cb 0.59 -2.14 0.12 0.00 -0.04 0.00 0.00 33.50 32.03 1i4g n PRO 192 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1i4g s SER 193 N -1.84 3.79 -0.22 3.54 0.01 -1.26 -4.75 113.70 112.97 1i4g s SER 193 Ca 0.69 1.85 -0.01 0.00 1.31 0.00 0.00 55.95 59.79 1i4g s SER 193 Cb -0.30 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.48 1i4g s SER 193 CO 0.55 -2.50 -0.10 -0.69 0.41 0.00 0.00 173.24 170.92 1i4g s VAL 194 N -2.83 2.68 -0.23 3.43 1.01 -0.70 -4.96 120.40 118.80 1i4g s VAL 194 Ca 0.63 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.59 1i4g s VAL 194 Cb -0.19 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.87 1i4g s VAL 194 CO 0.57 0.32 0.07 0.20 0.00 0.00 0.00 175.10 176.26 1i4g s ASN 195 N 1.33 5.29 -0.13 3.32 0.01 -1.26 -0.92 114.94 122.57 1i4g s ASN 195 Ca 0.02 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.07 1i4g s ASN 195 Cb -0.15 -1.94 0.00 0.00 0.41 0.00 0.00 41.25 39.57 1i4g s ASN 195 CO -0.07 0.03 -0.20 -0.31 -1.51 0.00 0.00 177.10 175.04 1i4g s TYR 196 N 1.24 2.67 -0.22 2.20 4.12 0.22 -4.99 117.35 122.59 1i4g s TYR 196 Ca 0.05 -1.07 -0.28 0.00 0.02 0.00 0.00 57.07 55.79 1i4g s TYR 196 Cb -0.14 -1.79 0.00 0.00 -1.52 0.00 0.00 41.96 38.51 1i4g s TYR 196 CO 0.03 -0.45 0.99 0.34 0.02 0.00 0.00 175.55 176.48 1i4g s ASP 197 N 0.56 7.06 0.56 2.29 3.68 -1.26 -1.23 116.67 128.32 1i4g s ASP 197 Ca -0.12 1.32 0.38 0.00 2.13 0.00 0.00 52.55 56.26 1i4g s ASP 197 Cb -0.17 -2.52 2.03 0.00 -1.45 0.00 0.00 42.92 40.82 1i4g s ASP 197 CO 0.04 -0.61 2.15 -0.07 0.13 0.00 0.00 175.17 176.81 1i4g h LEU 198 N 9.21 0.00 -2.96 -1.34 3.38 -1.34 -0.78 115.31 121.49 1i4g h LEU 198 Ca -0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1i4g h LEU 198 Cb 1.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1i4g h LEU 198 CO 0.94 0.00 -0.17 0.49 0.09 0.00 0.00 178.44 179.79 1i4g n PHE 199 N -2.83 0.00 0.83 1.13 3.01 -1.26 -4.75 117.46 113.59 1i4g n PHE 199 Ca -0.02 -1.08 0.12 0.00 1.01 0.00 0.00 57.45 57.47 1i4g n PHE 199 Cb 0.07 -0.17 0.27 0.00 -0.01 0.00 0.00 39.48 39.64 1i4g n PHE 199 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1i4g n GLY 200 N -1.26 0.99 3.77 1.37 0.00 -0.30 -4.78 105.19 104.99 1i4g n GLY 200 Ca 0.16 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1i4g n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4g s ALA 201 N -1.72 2.55 -0.02 4.61 0.00 -1.26 -5.01 121.76 120.91 1i4g s ALA 201 Ca 0.35 0.65 -0.01 0.00 0.00 0.00 0.00 51.96 52.94 1i4g s ALA 201 Cb 0.20 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.95 1i4g s ALA 201 CO 0.30 -1.10 0.09 -1.14 0.00 0.00 0.00 175.76 173.91 1i4g s GLN 202 N -3.81 3.13 0.28 0.00 -0.44 -1.26 -5.02 119.66 112.54 1i4g s GLN 202 Ca 0.69 -0.44 0.00 0.00 -2.50 0.00 0.00 55.36 53.11 1i4g s GLN 202 Cb -0.22 -2.90 0.00 0.00 -1.64 0.00 0.00 33.01 28.25 1i4g s GLN 202 CO 0.36 0.66 0.00 0.41 0.50 0.00 0.00 175.29 177.23 1i4g n GLY 203 N 1.25 -2.55 0.00 2.59 0.00 -1.26 -3.10 105.19 102.11 1i4g n GLY 203 Ca -0.13 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.13 1i4g n GLY 203 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i4g n GLN 204 N -0.25 0.10 -4.22 1.61 6.02 -1.26 -4.76 117.38 114.60 1i4g n GLN 204 Ca 0.00 -0.01 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 1i4g n GLN 204 Cb 0.00 -1.02 -0.07 0.00 1.02 0.00 0.00 30.24 30.17 1i4g n GLN 204 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1i4g s TYR 205 N -2.06 2.73 0.34 1.08 1.51 -1.26 -3.91 117.35 115.78 1i4g s TYR 205 Ca -0.00 -0.27 0.11 0.00 -1.01 0.00 0.00 57.07 55.90 1i4g s TYR 205 Cb 0.01 -1.35 0.89 0.00 -0.11 0.00 0.00 41.96 41.40 1i4g s TYR 205 CO 0.04 0.53 1.77 0.77 -1.11 0.00 0.00 175.55 177.54 1i4g h SER 206 N 1.75 0.65 0.18 2.29 0.02 -1.92 -0.74 113.55 115.77 1i4g h SER 206 Ca -0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1i4g h SER 206 Cb 1.25 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1i4g h SER 206 CO 0.61 0.17 0.00 -0.55 -1.14 0.00 0.00 176.83 175.93 1i4g h ASN 207 N 0.60 0.00 0.00 3.07 -1.07 -1.96 -1.49 115.58 114.72 1i4g h ASN 207 Ca 0.59 0.00 -0.19 0.00 0.07 0.00 0.00 56.30 56.78 1i4g h ASN 207 Cb 1.16 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.37 1i4g h ASN 207 CO -0.37 0.00 -1.71 0.35 0.07 0.00 0.00 177.43 175.77 1i4g n THR 208 N -2.79 0.71 0.21 6.14 -2.24 -0.39 -4.41 114.28 111.50 1i4g n THR 208 Ca -0.02 -0.38 0.06 0.00 -2.27 0.00 0.00 64.05 61.45 1i4g n THR 208 Cb 0.10 -0.81 0.44 0.00 -2.10 0.00 0.00 70.33 67.96 1i4g n THR 208 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1i4g h LEU 209 N 0.00 0.00 -1.00 3.22 3.38 -1.01 -2.62 115.31 117.28 1i4g h LEU 209 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1i4g h LEU 209 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1i4g h LEU 209 CO -0.01 0.31 -0.10 0.18 0.09 0.00 0.00 178.44 178.91 1i4g n LEU 210 N -3.75 1.65 0.14 1.67 4.77 -0.58 -4.11 117.00 116.78 1i4g n LEU 210 Ca -0.01 -0.53 0.11 0.00 -0.03 0.00 0.00 56.01 55.54 1i4g n LEU 210 Cb 0.40 -0.03 0.53 0.00 -2.33 0.00 0.00 43.42 41.99 1i4g n LEU 210 CO 0.36 0.28 0.83 0.54 -1.33 0.00 0.00 177.39 178.07 1i4g n ARG 211 N 0.13 0.16 0.27 3.23 1.74 -0.99 -2.26 116.66 118.94 1i4g n ARG 211 Ca 0.16 0.54 0.13 0.00 -0.77 0.00 0.00 57.85 57.91 1i4g n ARG 211 Cb 0.40 -1.90 0.73 0.00 -1.02 0.00 0.00 32.46 30.67 1i4g n ARG 211 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 1i4g h ILE 212 N 0.00 0.51 -0.01 0.55 3.07 -1.78 -2.95 117.51 116.89 1i4g h ILE 212 Ca 0.00 -0.54 0.00 0.00 1.55 0.00 0.00 64.86 65.87 1i4g h ILE 212 Cb 0.16 1.36 0.00 0.00 -0.27 0.00 0.00 36.82 38.07 1i4g h ILE 212 CO 0.00 0.11 -0.18 -1.22 -1.05 0.00 0.00 178.15 175.81 1i4g n TYR 213 N -3.57 0.00 0.22 0.16 0.53 -0.96 -4.36 117.16 109.18 1i4g n TYR 213 Ca -0.02 0.00 0.16 0.00 -1.02 0.00 0.00 57.90 57.02 1i4g n TYR 213 Cb 0.24 -0.06 0.82 0.00 -1.03 0.00 0.00 39.34 39.31 1i4g n TYR 213 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 1i4g h ARG 214 N 1.94 0.00 0.00 -0.72 2.43 -1.67 -0.80 114.38 115.56 1i4g h ARG 214 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1i4g h ARG 214 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1i4g h ARG 214 CO 0.00 0.00 0.00 -0.40 -1.51 0.00 0.00 179.97 178.06 1i4g n ASP 215 N -3.92 0.00 -3.99 -3.80 3.85 -1.26 -2.75 116.55 104.68 1i4g n ASP 215 Ca 0.01 -0.06 -0.31 0.00 -0.71 0.00 0.00 54.79 53.72 1i4g n ASP 215 Cb 0.27 -0.28 0.00 0.00 -1.35 0.00 0.00 41.12 39.77 1i4g n ASP 215 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1i4g n ASN 216 N -1.28 -3.38 -4.72 -1.12 5.15 -0.31 -4.87 115.26 104.74 1i4g n ASN 216 Ca 0.11 -0.88 -0.42 0.00 -0.60 0.00 0.00 54.58 52.79 1i4g n ASN 216 Cb 0.18 -3.45 -0.03 0.00 -0.53 0.00 0.00 39.78 35.95 1i4g n ASN 216 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1i4g s LYS 217 N -6.64 4.15 -0.01 1.20 2.20 -1.26 -4.91 119.74 114.47 1i4g s LYS 217 Ca 0.53 2.54 0.08 0.00 -0.36 0.00 0.00 55.97 58.76 1i4g s LYS 217 Cb -0.28 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 1i4g s LYS 217 CO 0.87 -0.71 -0.26 0.99 -0.36 0.00 0.00 175.35 175.88 1i4g s THR 218 N 1.14 2.04 0.05 3.43 2.01 -1.26 -1.17 115.64 121.89 1i4g s THR 218 Ca 0.73 -1.15 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1i4g s THR 218 Cb -0.48 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.30 1i4g s THR 218 CO 0.32 0.54 -0.06 0.27 -0.69 0.00 0.00 174.62 175.00 1i4g s ILE 219 N -0.64 0.45 -0.02 1.82 -4.36 0.20 -4.92 121.20 113.73 1i4g s ILE 219 Ca 0.10 -1.31 -0.30 0.00 -0.26 0.00 0.00 60.65 58.88 1i4g s ILE 219 Cb -0.10 -0.87 -0.03 0.00 1.25 0.00 0.00 42.46 42.72 1i4g s ILE 219 CO -0.00 -0.58 0.99 0.21 0.24 0.00 0.00 174.94 175.80 1i4g s ASN 220 N -2.02 7.34 0.19 4.36 3.84 -1.26 -1.03 114.94 126.36 1i4g s ASN 220 Ca -0.05 1.64 0.14 0.00 0.21 0.00 0.00 52.86 54.81 1i4g s ASN 220 Cb -0.05 -2.57 -0.03 0.00 -0.55 0.00 0.00 41.25 38.06 1i4g s ASN 220 CO -0.02 -0.31 1.24 0.77 -2.79 0.00 0.00 177.10 175.99 1i4g h SER 221 N 6.87 0.00 -0.02 -4.21 4.64 -1.26 -3.41 113.55 116.15 1i4g h SER 221 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1i4g h SER 221 Cb 1.20 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1i4g h SER 221 CO 0.77 0.59 -0.01 -0.62 -0.87 0.00 0.00 176.83 176.69 1i4g n GLU 222 N -3.14 -0.01 -2.80 4.77 -0.58 -1.26 -1.83 120.64 115.79 1i4g n GLU 222 Ca -0.02 0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.56 1i4g n GLU 222 Cb 0.79 -0.06 -0.01 0.00 -0.57 0.00 0.00 31.44 31.60 1i4g n GLU 222 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1i4g n ASN 223 N -3.38 2.88 -4.81 1.62 2.85 -1.26 -5.08 115.26 108.07 1i4g n ASN 223 Ca 0.00 -3.28 -0.22 0.00 -0.11 0.00 0.00 54.58 50.97 1i4g n ASN 223 Cb 0.00 -0.54 -0.05 0.00 1.24 0.00 0.00 39.78 40.44 1i4g n ASN 223 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1i4g s MET 224 N -3.15 2.45 0.18 1.20 0.23 -0.76 -4.16 119.30 115.28 1i4g s MET 224 Ca 0.41 -1.58 -0.14 0.00 -1.03 0.00 0.00 55.69 53.35 1i4g s MET 224 Cb 0.38 -2.25 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 1i4g s MET 224 CO -0.09 -0.07 0.41 -3.38 -2.03 0.00 0.00 175.02 169.86 1i4g s HIS 225 N -2.47 0.09 -0.10 3.16 -3.43 -0.86 -4.49 115.29 107.19 1i4g s HIS 225 Ca 0.43 -0.44 0.04 0.00 -0.80 0.00 0.00 55.06 54.29 1i4g s HIS 225 Cb -0.02 0.20 -0.00 0.00 -1.43 0.00 0.00 32.58 31.33 1i4g s HIS 225 CO 0.25 -0.82 -0.24 0.42 -2.00 0.00 0.00 174.74 172.36 1i4g s ILE 226 N -3.91 2.10 -0.10 -5.38 1.01 0.03 -1.58 121.20 113.37 1i4g s ILE 226 Ca 0.12 -1.01 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 1i4g s ILE 226 Cb 0.01 -1.80 -0.03 0.00 0.01 0.00 0.00 42.46 40.65 1i4g s ILE 226 CO -0.02 0.56 -0.04 -1.81 0.00 0.00 0.00 174.94 173.63 1i4g s ASP 227 N 0.33 4.88 -0.06 3.58 1.01 -0.66 -1.00 116.67 124.76 1i4g s ASP 227 Ca -0.19 0.01 0.01 0.00 0.71 0.00 0.00 52.55 53.09 1i4g s ASP 227 Cb -0.18 -1.42 0.02 0.00 1.01 0.00 0.00 42.92 42.35 1i4g s ASP 227 CO 0.09 0.32 -0.06 -0.63 0.21 0.00 0.00 175.17 175.10 1i4g s ILE 228 N -0.54 0.71 -0.16 0.77 1.01 0.38 -0.41 121.20 122.96 1i4g s ILE 228 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1i4g s ILE 228 Cb -0.12 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.63 1i4g s ILE 228 CO 0.02 0.27 -0.17 -0.31 0.00 0.00 0.00 174.94 174.76 1i4g s TYR 229 N 1.05 2.77 0.03 3.97 1.51 0.28 -0.91 117.35 126.05 1i4g s TYR 229 Ca -0.08 -1.15 0.08 0.00 -1.01 0.00 0.00 57.07 54.90 1i4g s TYR 229 Cb -0.14 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 1i4g s TYR 229 CO -0.01 -0.54 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.15 1i4g s LEU 230 N 0.89 2.27 0.01 -1.29 1.43 0.63 -0.78 118.68 121.83 1i4g s LEU 230 Ca -0.04 -0.52 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1i4g s LEU 230 Cb -0.15 -1.36 -0.01 0.00 0.03 0.00 0.00 46.19 44.70 1i4g s LEU 230 CO -0.02 0.27 -0.05 -0.31 0.23 0.00 0.00 176.35 176.47 1i4g s TYR 231 N -0.80 0.44 -1.85 0.29 1.51 -0.41 -0.19 117.35 116.35 1i4g s TYR 231 Ca 0.12 -0.17 0.18 0.00 -1.01 0.00 0.00 57.07 56.19 1i4g s TYR 231 Cb -0.10 -0.28 0.33 0.00 -0.11 0.00 0.00 41.96 41.80 1i4g s TYR 231 CO 0.02 -0.03 1.25 0.25 -1.11 0.00 0.00 175.55 175.93 1i4g n THR 232 N 2.64 0.53 -0.44 -0.71 -2.24 -1.26 0.13 114.28 112.92 1i4g n THR 232 Ca -0.15 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1i4g n THR 232 Cb 0.58 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1i4g n THR 232 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96