#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fe3 h PRO 51 N 0.00 0.00 -5.05 2.61 0.13 -1.97 -3.43 132.00 124.29 3fe3 h PRO 51 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.79 3fe3 h PRO 51 Cb 0.00 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 30.94 3fe3 h PRO 51 CO 0.00 0.00 -0.74 -1.01 -0.23 0.00 0.00 178.00 176.02 3fe3 s HIS 52 N -3.17 1.09 -0.07 1.56 3.76 -1.26 -0.28 115.29 116.92 3fe3 s HIS 52 Ca 0.08 -0.59 -0.03 0.00 -0.15 0.00 0.00 55.06 54.37 3fe3 s HIS 52 Cb 0.09 -0.60 0.04 0.00 1.11 0.00 0.00 32.58 33.22 3fe3 s HIS 52 CO 0.65 0.02 0.13 -1.50 -0.85 0.00 0.00 174.74 173.19 3fe3 s ILE 53 N -2.08 -0.21 0.00 0.60 1.10 -0.15 -4.92 121.20 115.54 3fe3 s ILE 53 Ca 0.03 0.38 0.00 0.00 -0.51 0.00 0.00 60.65 60.54 3fe3 s ILE 53 Cb -0.05 -0.25 0.00 0.00 0.15 0.00 0.00 42.46 42.31 3fe3 s ILE 53 CO 0.01 0.16 0.00 0.61 -2.11 0.00 0.00 174.94 173.61 3fe3 n GLY 54 N 5.29 3.20 1.71 1.50 0.00 -1.26 -1.06 105.19 114.58 3fe3 n GLY 54 Ca -0.05 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 3fe3 n GLY 54 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3fe3 n ASN 55 N 2.28 3.57 -4.15 1.61 3.02 -1.26 -4.88 115.26 115.44 3fe3 n ASN 55 Ca 0.00 -2.93 -0.27 0.00 -0.03 0.00 0.00 54.58 51.35 3fe3 n ASN 55 Cb 0.00 -0.71 -0.16 0.00 -0.61 0.00 0.00 39.78 38.30 3fe3 n ASN 55 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3fe3 s TYR 56 N -1.90 1.82 -0.14 3.10 2.02 -0.23 -0.70 117.35 121.32 3fe3 s TYR 56 Ca 0.33 -0.53 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 3fe3 s TYR 56 Cb 0.27 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 3fe3 s TYR 56 CO 0.06 -0.18 0.45 0.50 -1.57 0.00 0.00 175.55 174.81 3fe3 s ARG 57 N 0.02 4.30 -0.01 -0.62 3.52 -0.23 -0.97 118.95 124.95 3fe3 s ARG 57 Ca -0.04 0.38 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 3fe3 s ARG 57 Cb -0.12 -3.46 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 3fe3 s ARG 57 CO 0.02 0.12 0.55 -0.51 -0.81 0.00 0.00 175.30 174.67 3fe3 s LEU 58 N 0.76 4.42 0.00 -0.88 1.43 0.62 -0.94 118.68 124.09 3fe3 s LEU 58 Ca 0.24 1.09 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 3fe3 s LEU 58 Cb -0.15 -2.83 0.00 0.00 0.03 0.00 0.00 46.19 43.24 3fe3 s LEU 58 CO 0.09 0.14 0.00 0.18 0.23 0.00 0.00 176.35 176.99 3fe3 n LEU 59 N 2.63 0.00 -4.75 1.79 7.99 0.30 -4.88 117.00 120.08 3fe3 n LEU 59 Ca -0.08 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.51 3fe3 n LEU 59 Cb 0.51 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.77 3fe3 n LEU 59 CO 0.42 0.00 0.75 -0.75 -1.51 0.00 0.00 177.39 176.30 3fe3 s LYS 60 N 3.96 4.70 -0.10 3.23 2.20 -1.25 -4.63 119.74 127.86 3fe3 s LYS 60 Ca 0.00 1.69 -0.29 0.00 -0.36 0.00 0.00 55.97 57.01 3fe3 s LYS 60 Cb 0.00 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3fe3 s LYS 60 CO 0.00 0.29 1.52 0.99 -0.36 0.00 0.00 175.35 177.78 3fe3 s THR 61 N -1.03 3.83 -0.87 3.43 2.01 -1.26 -0.94 115.64 120.82 3fe3 s THR 61 Ca 0.44 1.00 0.14 0.00 0.31 0.00 0.00 61.69 63.59 3fe3 s THR 61 Cb -0.30 -3.65 -0.11 0.00 0.01 0.00 0.00 72.50 68.45 3fe3 s THR 61 CO 0.37 -0.10 0.66 2.30 -0.69 0.00 0.00 174.62 177.17 3fe3 n ILE 62 N 5.47 0.00 -3.57 1.82 -5.35 -0.01 -4.95 119.36 112.77 3fe3 n ILE 62 Ca 0.16 -0.21 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 3fe3 n ILE 62 Cb 0.44 1.05 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 3fe3 n ILE 62 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fe3 s GLY 63 N -2.20 -0.48 -0.09 3.28 0.00 -0.94 -4.95 107.32 101.93 3fe3 s GLY 63 Ca 0.07 1.74 -0.01 0.00 0.00 0.00 0.00 44.72 46.53 3fe3 s GLY 63 CO 0.53 1.27 -0.03 1.25 0.00 0.00 0.00 173.10 176.11 3fe3 s LYS 64 N -0.62 1.04 0.19 2.90 2.47 -1.26 -0.14 119.74 124.31 3fe3 s LYS 64 Ca -0.05 -0.06 0.01 0.00 -1.56 0.00 0.00 55.97 54.30 3fe3 s LYS 64 Cb -0.02 -1.26 0.01 0.00 -1.46 0.00 0.00 37.83 35.10 3fe3 s LYS 64 CO 0.05 -0.29 0.05 0.41 0.16 0.00 0.00 175.35 175.73 3fe3 n GLY 65 N 5.05 3.62 0.28 5.54 0.00 0.22 -4.86 105.19 115.03 3fe3 n GLY 65 Ca -0.10 -2.25 -0.10 0.00 0.00 0.00 0.00 46.02 43.57 3fe3 n GLY 65 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fe3 h ASN 66 N 0.37 -0.75 -0.03 1.61 2.35 -1.78 -3.33 115.58 114.02 3fe3 h ASN 66 Ca -0.14 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3fe3 h ASN 66 Cb 0.45 0.32 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3fe3 h ASN 66 CO 0.23 -0.30 0.00 0.49 -1.65 0.00 0.00 177.43 176.20 3fe3 n PHE 67 N -5.37 0.03 -3.86 1.19 0.99 -1.26 -5.04 117.46 104.14 3fe3 n PHE 67 Ca -0.03 -0.08 -0.11 0.00 -0.00 0.00 0.00 57.45 57.23 3fe3 n PHE 67 Cb 0.28 -0.01 -0.09 0.00 -1.00 0.00 0.00 39.48 38.66 3fe3 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3fe3 s ALA 68 N -0.50 -0.35 0.18 4.37 0.00 -1.25 -3.19 121.76 121.01 3fe3 s ALA 68 Ca 0.06 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 51.92 3fe3 s ALA 68 Cb 0.04 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3fe3 s ALA 68 CO 0.06 -0.28 -0.19 0.15 0.00 0.00 0.00 175.76 175.50 3fe3 s LYS 69 N -1.93 1.35 -0.09 0.00 1.02 -0.86 0.71 119.74 119.94 3fe3 s LYS 69 Ca -0.10 -1.46 0.02 0.00 0.02 0.00 0.00 55.97 54.44 3fe3 s LYS 69 Cb -0.04 -1.44 0.02 0.00 -0.52 0.00 0.00 37.83 35.84 3fe3 s LYS 69 CO -0.01 0.29 -0.13 0.08 -0.92 0.00 0.00 175.35 174.67 3fe3 s VAL 70 N -2.07 1.26 0.06 3.17 1.01 0.80 -1.03 120.40 123.61 3fe3 s VAL 70 Ca 0.18 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.72 3fe3 s VAL 70 Cb -0.06 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3fe3 s VAL 70 CO 0.08 0.39 -0.19 -0.54 0.00 0.00 0.00 175.10 174.84 3fe3 s LYS 71 N 0.94 1.95 0.44 2.72 1.02 -0.05 -0.83 119.74 125.93 3fe3 s LYS 71 Ca -0.09 -1.06 -0.22 0.00 0.02 0.00 0.00 55.97 54.63 3fe3 s LYS 71 Cb -0.15 -2.14 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 3fe3 s LYS 71 CO 0.00 0.52 0.99 -1.17 -0.92 0.00 0.00 175.35 174.77 3fe3 s LEU 72 N -1.62 3.97 0.23 3.17 0.20 -0.11 0.07 118.68 124.59 3fe3 s LEU 72 Ca 0.15 1.83 -0.12 0.00 0.69 0.00 0.00 54.13 56.69 3fe3 s LEU 72 Cb -0.10 -4.45 -0.01 0.00 -0.43 0.00 0.00 46.19 41.20 3fe3 s LEU 72 CO 0.06 -0.50 0.43 0.00 -0.29 0.00 0.00 176.35 176.05 3fe3 s ALA 73 N -1.99 -0.14 -0.08 5.97 0.00 -0.49 -0.54 121.76 124.49 3fe3 s ALA 73 Ca 0.62 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3fe3 s ALA 73 Cb -0.14 1.06 0.01 0.00 0.00 0.00 0.00 23.12 24.05 3fe3 s ALA 73 CO 0.18 -0.80 -0.13 0.50 0.00 0.00 0.00 175.76 175.51 3fe3 s ARG 74 N -4.01 1.89 -0.03 0.00 3.52 -0.11 -1.58 118.95 118.62 3fe3 s ARG 74 Ca 0.22 -0.46 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 3fe3 s ARG 74 Cb 0.00 -1.61 -0.05 0.00 -1.56 0.00 0.00 34.95 31.73 3fe3 s ARG 74 CO 0.07 -0.03 1.52 -1.58 -0.81 0.00 0.00 175.30 174.47 3fe3 s HIS 75 N 0.87 2.47 0.37 5.12 5.65 -0.09 -1.07 115.29 128.60 3fe3 s HIS 75 Ca -0.10 0.53 0.17 0.00 0.25 0.00 0.00 55.06 55.91 3fe3 s HIS 75 Cb -0.15 -3.78 0.92 0.00 -1.18 0.00 0.00 32.58 28.39 3fe3 s HIS 75 CO 0.01 -3.09 1.90 -0.84 -0.65 0.00 0.00 174.74 172.06 3fe3 h ILE 76 N 5.20 1.04 0.00 0.89 3.07 -1.26 0.30 117.51 126.75 3fe3 h ILE 76 Ca -0.38 -1.03 -0.23 0.00 1.55 0.00 0.00 64.86 64.77 3fe3 h ILE 76 Cb 1.17 1.58 -0.04 0.00 -0.27 0.00 0.00 36.82 39.27 3fe3 h ILE 76 CO 0.93 0.28 -1.39 -0.07 -1.05 0.00 0.00 178.15 176.85 3fe3 h LEU 77 N 0.00 0.00 0.00 0.16 3.38 -1.92 -3.37 115.31 113.56 3fe3 h LEU 77 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fe3 h LEU 77 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3fe3 h LEU 77 CO 0.04 0.87 -0.68 0.35 0.09 0.00 0.00 178.44 179.11 3fe3 n THR 78 N -3.09 0.00 -0.95 0.22 -2.24 -1.20 -5.01 114.28 102.00 3fe3 n THR 78 Ca -0.10 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3fe3 n THR 78 Cb 0.96 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 3fe3 n THR 78 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fe3 n GLY 79 N 1.45 0.49 3.78 3.38 0.00 0.10 -5.03 105.19 109.37 3fe3 n GLY 79 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3fe3 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fe3 s ARG 80 N -0.44 4.18 0.17 1.61 1.81 -1.25 -4.68 118.95 120.35 3fe3 s ARG 80 Ca 0.00 1.47 -0.29 0.00 -1.72 0.00 0.00 55.73 55.19 3fe3 s ARG 80 Cb 0.00 -2.52 -0.07 0.00 -0.45 0.00 0.00 34.95 31.91 3fe3 s ARG 80 CO 0.00 -0.12 0.91 -2.00 -0.68 0.00 0.00 175.30 173.41 3fe3 s GLU 81 N -2.53 4.73 0.18 3.54 2.12 -1.26 -0.91 118.70 124.56 3fe3 s GLU 81 Ca 0.58 1.39 -0.00 0.00 0.36 0.00 0.00 54.97 57.30 3fe3 s GLU 81 Cb -0.21 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 3fe3 s GLU 81 CO 0.26 0.40 0.09 0.14 -0.54 0.00 0.00 175.26 175.61 3fe3 s VAL 82 N -0.67 0.19 -0.13 3.70 -7.23 -0.62 -4.60 120.40 111.04 3fe3 s VAL 82 Ca 0.42 -1.97 -0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3fe3 s VAL 82 Cb -0.24 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 3fe3 s VAL 82 CO 0.30 -0.20 -0.13 0.00 -0.31 0.00 0.00 175.10 174.76 3fe3 s ALA 83 N -4.01 2.62 -0.21 1.32 0.00 -0.24 -1.39 121.76 119.84 3fe3 s ALA 83 Ca 0.33 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 3fe3 s ALA 83 Cb 0.07 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3fe3 s ALA 83 CO 0.08 0.24 -0.08 0.42 0.00 0.00 0.00 175.76 176.42 3fe3 s ILE 84 N 0.37 3.02 -0.09 0.00 1.01 0.11 -0.71 121.20 124.91 3fe3 s ILE 84 Ca -0.11 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.68 3fe3 s ILE 84 Cb -0.16 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 3fe3 s ILE 84 CO 0.06 0.43 0.63 -0.75 0.00 0.00 0.00 174.94 175.30 3fe3 s LYS 85 N 1.42 4.40 -0.26 2.79 2.47 -0.30 -0.87 119.74 129.39 3fe3 s LYS 85 Ca 0.05 0.73 0.02 0.00 -1.56 0.00 0.00 55.97 55.22 3fe3 s LYS 85 Cb -0.14 -3.45 0.06 0.00 -1.46 0.00 0.00 37.83 32.84 3fe3 s LYS 85 CO -0.06 0.08 -0.10 0.42 0.16 0.00 0.00 175.35 175.85 3fe3 s ILE 86 N 0.78 2.25 -0.24 5.43 1.01 -0.20 -0.71 121.20 129.53 3fe3 s ILE 86 Ca 0.33 -1.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 3fe3 s ILE 86 Cb -0.17 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3fe3 s ILE 86 CO 0.15 -0.01 0.00 -0.63 0.00 0.00 0.00 174.94 174.46 3fe3 s ILE 87 N 1.12 3.73 -0.29 2.92 1.01 0.75 -2.03 121.20 128.41 3fe3 s ILE 87 Ca -0.08 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 59.87 3fe3 s ILE 87 Cb -0.20 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3fe3 s ILE 87 CO -0.05 0.36 1.44 -0.62 0.00 0.00 0.00 174.94 176.08 3fe3 s ASP 88 N 1.52 6.49 0.11 3.58 2.15 -1.19 -0.67 116.67 128.66 3fe3 s ASP 88 Ca 0.06 1.29 0.06 0.00 0.43 0.00 0.00 52.55 54.39 3fe3 s ASP 88 Cb -0.15 -2.54 -0.22 0.00 -0.30 0.00 0.00 42.92 39.72 3fe3 s ASP 88 CO -0.01 -1.22 1.23 0.11 -0.17 0.00 0.00 175.17 175.12 3fe3 h LYS 89 N 10.14 0.03 0.00 4.34 1.57 -0.16 -3.27 116.57 129.22 3fe3 h LYS 89 Ca -0.29 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3fe3 h LYS 89 Cb 1.12 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3fe3 h LYS 89 CO 1.03 1.00 0.00 0.25 -0.57 0.00 0.00 179.45 181.16 3fe3 n THR 90 N -3.36 1.33 -0.19 -0.16 -2.24 -1.23 -1.67 114.28 106.76 3fe3 n THR 90 Ca -0.02 0.33 0.09 0.00 -2.27 0.00 0.00 64.05 62.19 3fe3 n THR 90 Cb 0.95 -1.24 0.24 0.00 -2.10 0.00 0.00 70.33 68.18 3fe3 n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3fe3 n GLN 91 N -1.41 2.68 -4.53 -0.78 6.02 -1.23 -4.95 117.38 113.17 3fe3 n GLN 91 Ca 0.02 -2.33 -0.34 0.00 -0.01 0.00 0.00 57.00 54.34 3fe3 n GLN 91 Cb 0.06 -1.43 -0.11 0.00 1.02 0.00 0.00 30.24 29.77 3fe3 n GLN 91 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3fe3 s LEU 92 N -1.05 3.26 0.79 1.08 1.43 -0.67 -5.11 118.68 118.41 3fe3 s LEU 92 Ca 0.37 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.33 3fe3 s LEU 92 Cb 0.19 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.75 3fe3 s LEU 92 CO 0.26 0.32 1.11 0.54 0.23 0.00 0.00 176.35 178.81 3fe3 s ASN 93 N -0.55 4.63 0.28 2.29 2.20 -1.26 -4.83 114.94 117.70 3fe3 s ASN 93 Ca 0.09 1.14 -0.05 0.00 -0.94 0.00 0.00 52.86 53.09 3fe3 s ASN 93 Cb -0.12 -1.83 0.54 0.00 -2.00 0.00 0.00 41.25 37.84 3fe3 s ASN 93 CO 0.02 -1.86 1.53 -2.65 -2.94 0.00 0.00 177.10 171.20 3fe3 n PRO 94 N -3.34 -0.09 0.10 3.55 -0.02 -1.26 -1.02 135.00 132.92 3fe3 n PRO 94 Ca 0.07 1.51 -0.13 0.00 -2.02 0.00 0.00 63.50 62.93 3fe3 n PRO 94 Cb 0.58 -2.30 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3fe3 n PRO 94 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fe3 h THR 95 N 0.00 0.92 -0.90 3.45 1.35 -2.00 -1.79 112.91 113.94 3fe3 h THR 95 Ca 0.51 -0.55 0.13 0.00 -0.55 0.00 0.00 66.41 65.95 3fe3 h THR 95 Cb 0.87 1.25 -0.07 0.00 -1.73 0.00 0.00 68.15 68.47 3fe3 h THR 95 CO -0.98 0.13 0.58 0.28 -0.25 0.00 0.00 175.52 175.27 3fe3 h SER 96 N -0.51 0.72 -0.39 5.36 0.02 -1.92 0.06 113.55 116.90 3fe3 h SER 96 Ca -0.02 0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 60.89 3fe3 h SER 96 Cb 0.39 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3fe3 h SER 96 CO 0.04 0.38 -0.05 0.25 -1.14 0.00 0.00 176.83 176.31 3fe3 h LEU 97 N 0.78 0.72 -0.63 5.07 5.85 -0.92 -1.84 115.31 124.33 3fe3 h LEU 97 Ca 0.45 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.70 3fe3 h LEU 97 Cb 0.61 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 3fe3 h LEU 97 CO -0.21 0.89 -0.24 1.56 -0.34 0.00 0.00 178.44 180.10 3fe3 h GLN 98 N 0.54 0.82 -0.39 1.25 1.08 -0.42 -2.51 115.11 115.49 3fe3 h GLN 98 Ca 0.10 -0.34 0.06 0.00 -1.45 0.00 0.00 58.65 57.02 3fe3 h GLN 98 Cb 0.55 -0.03 -0.05 0.00 -0.05 0.00 0.00 27.48 27.90 3fe3 h GLN 98 CO 0.03 0.97 0.09 -0.22 -0.95 0.00 0.00 178.83 178.76 3fe3 h LYS 99 N 0.71 0.22 -0.42 1.46 3.64 -0.96 -1.85 116.57 119.36 3fe3 h LYS 99 Ca 0.09 -0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 3fe3 h LYS 99 Cb 0.77 -0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 32.46 3fe3 h LYS 99 CO 0.06 0.15 -0.13 1.25 -2.27 0.00 0.00 179.45 178.51 3fe3 h LEU 100 N 0.23 -0.46 -0.92 5.20 5.85 -1.12 -1.34 115.31 122.74 3fe3 h LEU 100 Ca 0.18 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 3fe3 h LEU 100 Cb 0.20 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 3fe3 h LEU 100 CO -0.22 -0.16 -0.11 -0.26 -0.34 0.00 0.00 178.44 177.35 3fe3 h PHE 101 N -0.03 0.73 -0.68 1.25 0.04 -1.15 -0.04 116.94 117.06 3fe3 h PHE 101 Ca 0.20 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.79 3fe3 h PHE 101 Cb 0.34 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 3fe3 h PHE 101 CO -0.39 0.75 0.16 -0.09 -0.60 0.00 0.00 178.31 178.15 3fe3 h ARG 102 N 0.62 1.09 -0.17 1.51 2.43 -0.88 -1.80 114.38 117.16 3fe3 h ARG 102 Ca 0.11 -0.26 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 3fe3 h ARG 102 Cb 0.54 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.94 3fe3 h ARG 102 CO 0.03 0.97 -0.48 0.93 -1.51 0.00 0.00 179.97 179.91 3fe3 h GLU 103 N 1.01 0.44 -0.76 0.20 5.08 -0.88 -0.20 114.58 119.47 3fe3 h GLU 103 Ca 0.21 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3fe3 h GLU 103 Cb 0.37 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 3fe3 h GLU 103 CO 0.00 0.82 0.45 0.28 -1.00 0.00 0.00 179.01 179.57 3fe3 h VAL 104 N 0.35 1.22 -0.64 3.13 2.07 -0.83 -0.21 116.25 121.34 3fe3 h VAL 104 Ca 0.02 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 3fe3 h VAL 104 Cb 0.97 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3fe3 h VAL 104 CO 0.08 0.23 0.27 0.03 0.02 0.00 0.00 177.57 178.21 3fe3 h ARG 105 N 1.04 0.92 -0.47 1.57 3.08 -0.48 -1.99 114.38 118.04 3fe3 h ARG 105 Ca 0.27 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3fe3 h ARG 105 Cb -0.03 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.84 3fe3 h ARG 105 CO -0.05 0.74 0.16 0.82 -1.07 0.00 0.00 179.97 180.57 3fe3 h ILE 106 N 0.91 1.22 -0.55 2.04 2.04 -0.62 -2.63 117.51 119.91 3fe3 h ILE 106 Ca 0.22 -0.71 0.07 0.00 1.00 0.00 0.00 64.86 65.44 3fe3 h ILE 106 Cb 0.14 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3fe3 h ILE 106 CO -0.02 0.26 0.37 0.24 0.00 0.00 0.00 178.15 178.99 3fe3 h MET 107 N 0.62 0.45 0.00 2.37 2.86 -0.52 -0.11 114.93 120.59 3fe3 h MET 107 Ca 0.15 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.75 3fe3 h MET 107 Cb 0.24 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3fe3 h MET 107 CO -0.01 0.29 -0.08 0.87 1.06 0.00 0.00 176.91 179.05 3fe3 h LYS 108 N 0.46 0.00 -0.02 1.72 1.57 -1.00 -2.98 116.57 116.32 3fe3 h LYS 108 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3fe3 h LYS 108 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3fe3 h LYS 108 CO -0.07 0.08 -0.28 0.44 -0.57 0.00 0.00 179.45 179.06 3fe3 n ILE 109 N -3.35 0.00 -2.95 1.86 -5.35 -0.08 -4.80 119.36 104.69 3fe3 n ILE 109 Ca -0.01 -0.36 -0.44 0.00 -0.27 0.00 0.00 62.75 61.67 3fe3 n ILE 109 Cb 0.25 1.30 -0.04 0.00 -1.74 0.00 0.00 39.64 39.41 3fe3 n ILE 109 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3fe3 s LEU 110 N -2.10 4.74 -0.47 7.28 1.43 -1.06 -4.99 118.68 123.52 3fe3 s LEU 110 Ca 0.19 -1.14 0.03 0.00 -1.03 0.00 0.00 54.13 52.18 3fe3 s LEU 110 Cb 0.16 -2.38 0.13 0.00 0.03 0.00 0.00 46.19 44.13 3fe3 s LEU 110 CO 0.42 -1.32 0.22 0.20 0.23 0.00 0.00 176.35 176.10 3fe3 s ASN 111 N 3.65 4.16 -0.07 2.29 0.01 -1.26 -4.77 114.94 118.96 3fe3 s ASN 111 Ca 0.18 -2.76 -0.06 0.00 -0.71 0.00 0.00 52.86 49.51 3fe3 s ASN 111 Cb -0.19 -1.44 0.02 0.00 0.41 0.00 0.00 41.25 40.04 3fe3 s ASN 111 CO 0.09 -0.26 0.18 -2.28 -1.51 0.00 0.00 177.10 173.32 3fe3 s HIS 112 N 0.09 -0.19 -0.18 2.20 2.46 -1.26 -4.94 115.29 113.47 3fe3 s HIS 112 Ca 0.16 0.46 0.19 0.00 0.47 0.00 0.00 55.06 56.34 3fe3 s HIS 112 Cb -0.25 0.06 1.02 0.00 -0.13 0.00 0.00 32.58 33.29 3fe3 s HIS 112 CO -0.02 -0.10 1.55 -0.35 -2.47 0.00 0.00 174.74 173.34 3fe3 n PRO 113 N 2.92 0.12 -0.38 2.88 -0.04 -1.26 -1.85 135.00 137.39 3fe3 n PRO 113 Ca -0.13 0.61 0.07 0.00 -0.04 0.00 0.00 63.50 64.02 3fe3 n PRO 113 Cb 0.59 -1.98 0.21 0.00 -0.04 0.00 0.00 33.50 32.28 3fe3 n PRO 113 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fe3 n ASN 114 N -2.18 3.11 -4.06 3.54 4.13 -1.26 -4.90 115.26 113.64 3fe3 n ASN 114 Ca -0.01 -3.18 -0.25 0.00 1.68 0.00 0.00 54.58 52.82 3fe3 n ASN 114 Cb 0.10 -0.52 -0.16 0.00 -1.54 0.00 0.00 39.78 37.66 3fe3 n ASN 114 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3fe3 s ILE 115 N -2.92 1.21 -0.04 2.41 1.01 -0.77 -0.60 121.20 121.50 3fe3 s ILE 115 Ca 0.39 -0.55 -0.37 0.00 0.00 0.00 0.00 60.65 60.12 3fe3 s ILE 115 Cb 0.33 -1.08 -0.16 0.00 0.01 0.00 0.00 42.46 41.56 3fe3 s ILE 115 CO 0.05 0.37 1.55 0.52 0.00 0.00 0.00 174.94 177.42 3fe3 n VAL 116 N 3.56 0.15 -3.52 2.92 0.31 -0.54 -4.56 118.33 116.65 3fe3 n VAL 116 Ca -0.21 -0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.72 3fe3 n VAL 116 Cb 0.52 -1.12 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 3fe3 n VAL 116 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3fe3 s LYS 117 N 1.84 3.92 0.11 5.55 2.20 -1.26 -4.90 119.74 127.21 3fe3 s LYS 117 Ca 0.89 0.35 -0.26 0.00 -0.36 0.00 0.00 55.97 56.60 3fe3 s LYS 117 Cb -0.94 -3.24 -0.07 0.00 -1.51 0.00 0.00 37.83 32.07 3fe3 s LYS 117 CO 0.52 0.64 0.79 -1.17 -0.36 0.00 0.00 175.35 175.77 3fe3 s LEU 118 N -0.88 4.53 -0.11 5.43 2.96 -1.26 -0.92 118.68 128.44 3fe3 s LEU 118 Ca 0.23 1.58 0.08 0.00 -0.22 0.00 0.00 54.13 55.80 3fe3 s LEU 118 Cb -0.16 -3.30 -0.12 0.00 0.50 0.00 0.00 46.19 43.11 3fe3 s LEU 118 CO 0.12 0.11 0.01 0.49 -1.32 0.00 0.00 176.35 175.76 3fe3 n PHE 119 N 2.19 0.00 -3.56 5.38 3.72 0.17 -4.96 117.46 120.39 3fe3 n PHE 119 Ca -0.04 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.20 3fe3 n PHE 119 Cb 0.49 -0.51 -0.06 0.00 -0.94 0.00 0.00 39.48 38.46 3fe3 n PHE 119 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 3fe3 s GLU 120 N -2.25 0.98 -0.10 -1.08 2.12 -1.10 -3.97 118.70 113.30 3fe3 s GLU 120 Ca -0.07 0.49 0.03 0.00 0.36 0.00 0.00 54.97 55.78 3fe3 s GLU 120 Cb 0.03 0.46 -0.01 0.00 0.26 0.00 0.00 34.13 34.88 3fe3 s GLU 120 CO 0.40 -0.25 -0.20 0.08 -0.54 0.00 0.00 175.26 174.75 3fe3 s VAL 121 N -0.67 2.40 -0.11 3.70 1.01 -0.74 -0.89 120.40 125.09 3fe3 s VAL 121 Ca -0.07 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.02 3fe3 s VAL 121 Cb -0.02 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.43 3fe3 s VAL 121 CO 0.07 0.55 -0.18 -0.63 0.00 0.00 0.00 175.10 174.91 3fe3 s ILE 122 N 0.20 1.70 -0.03 2.22 1.01 -0.28 -4.74 121.20 121.29 3fe3 s ILE 122 Ca -0.13 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.77 3fe3 s ILE 122 Cb -0.16 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.79 3fe3 s ILE 122 CO 0.07 0.48 -0.11 -0.70 0.00 0.00 0.00 174.94 174.68 3fe3 s GLU 123 N 0.78 1.17 0.50 2.79 2.12 -1.26 -0.39 118.70 124.40 3fe3 s GLU 123 Ca -0.10 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.87 3fe3 s GLU 123 Cb -0.16 -1.06 -0.01 0.00 0.26 0.00 0.00 34.13 33.15 3fe3 s GLU 123 CO 0.01 0.14 0.02 0.95 -0.54 0.00 0.00 175.26 175.84 3fe3 s THR 124 N 0.19 1.08 0.32 -1.70 -4.23 0.09 -5.02 115.64 106.38 3fe3 s THR 124 Ca -0.04 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3fe3 s THR 124 Cb -0.10 -2.18 0.20 0.00 1.34 0.00 0.00 72.50 71.76 3fe3 s THR 124 CO 0.01 0.00 1.92 -0.33 -0.54 0.00 0.00 174.62 175.68 3fe3 h GLU 125 N 1.41 0.76 0.00 3.99 5.08 -2.03 -3.29 114.58 120.50 3fe3 h GLU 125 Ca -0.43 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 3fe3 h GLU 125 Cb 1.31 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3fe3 h GLU 125 CO 0.72 0.62 -1.70 0.36 -1.00 0.00 0.00 179.01 178.00 3fe3 n LYS 126 N -4.35 0.52 -4.34 2.33 2.85 -1.26 -4.77 118.16 109.14 3fe3 n LYS 126 Ca 0.04 -0.14 -0.18 0.00 -1.05 0.00 0.00 58.31 56.98 3fe3 n LYS 126 Cb 0.15 -1.50 -0.14 0.00 -0.65 0.00 0.00 35.03 32.89 3fe3 n LYS 126 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3fe3 s THR 127 N -3.34 0.75 -0.17 0.58 2.01 -1.24 0.61 115.64 114.83 3fe3 s THR 127 Ca -0.04 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.43 3fe3 s THR 127 Cb 0.14 -0.65 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 3fe3 s THR 127 CO 0.88 0.13 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.64 3fe3 s LEU 128 N -0.43 2.88 -0.17 4.42 2.96 0.15 -0.74 118.68 127.76 3fe3 s LEU 128 Ca 0.02 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3fe3 s LEU 128 Cb -0.04 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 3fe3 s LEU 128 CO -0.00 0.08 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.73 3fe3 s TYR 129 N 0.85 2.93 -0.25 5.38 1.51 0.47 -0.18 117.35 128.07 3fe3 s TYR 129 Ca -0.02 -0.64 -0.02 0.00 -1.01 0.00 0.00 57.07 55.38 3fe3 s TYR 129 Cb -0.15 -1.97 0.03 0.00 -0.11 0.00 0.00 41.96 39.76 3fe3 s TYR 129 CO 0.01 -0.28 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.61 3fe3 s LEU 130 N 0.75 3.22 -0.29 -1.29 1.43 0.11 -1.13 118.68 121.49 3fe3 s LEU 130 Ca -0.03 -0.87 -0.20 0.00 -1.03 0.00 0.00 54.13 52.00 3fe3 s LEU 130 Cb -0.15 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 3fe3 s LEU 130 CO 0.02 -0.13 0.64 -0.63 0.23 0.00 0.00 176.35 176.47 3fe3 s ILE 131 N 1.33 4.94 0.22 -0.59 1.09 -0.07 -1.15 121.20 126.97 3fe3 s ILE 131 Ca 0.00 0.94 0.01 0.00 -1.10 0.00 0.00 60.65 60.50 3fe3 s ILE 131 Cb -0.17 -3.99 -0.05 0.00 -1.06 0.00 0.00 42.46 37.20 3fe3 s ILE 131 CO -0.04 -0.10 0.07 0.00 -0.10 0.00 0.00 174.94 174.76 3fe3 s MET 132 N 2.60 1.27 0.30 2.79 0.23 0.11 0.45 119.30 127.05 3fe3 s MET 132 Ca 0.26 -1.66 -0.30 0.00 -1.03 0.00 0.00 55.69 52.96 3fe3 s MET 132 Cb -0.15 -0.18 -0.12 0.00 -1.53 0.00 0.00 34.83 32.85 3fe3 s MET 132 CO 0.11 -0.25 1.43 -1.91 -2.03 0.00 0.00 175.02 172.37 3fe3 n GLU 133 N -0.35 2.31 -3.73 3.16 2.13 -0.10 -1.08 120.64 122.99 3fe3 n GLU 133 Ca -0.02 0.82 -0.36 0.00 0.66 0.00 0.00 57.16 58.25 3fe3 n GLU 133 Cb 0.65 -2.49 -0.10 0.00 0.27 0.00 0.00 31.44 29.77 3fe3 n GLU 133 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 3fe3 s TYR 134 N -0.50 3.27 -0.40 4.31 5.04 -1.26 -4.52 117.35 123.28 3fe3 s TYR 134 Ca 0.61 0.11 -0.10 0.00 -2.44 0.00 0.00 57.07 55.25 3fe3 s TYR 134 Cb -0.56 -2.24 0.05 0.00 0.35 0.00 0.00 41.96 39.56 3fe3 s TYR 134 CO 0.55 0.01 0.24 0.00 -1.34 0.00 0.00 175.55 175.00 3fe3 s ALA 135 N 1.07 3.29 -2.16 3.97 0.00 -1.26 -4.91 121.76 121.76 3fe3 s ALA 135 Ca 0.06 -1.94 0.28 0.00 0.00 0.00 0.00 51.96 50.36 3fe3 s ALA 135 Cb -0.14 -2.64 1.09 0.00 0.00 0.00 0.00 23.12 21.44 3fe3 s ALA 135 CO 0.04 -1.53 1.77 -1.13 0.00 0.00 0.00 175.76 174.91 3fe3 n SER 136 N 4.97 1.10 -0.42 0.00 3.41 -1.24 -4.31 113.62 117.14 3fe3 n SER 136 Ca -0.11 -1.18 0.14 0.00 -0.26 0.00 0.00 58.87 57.46 3fe3 n SER 136 Cb 0.44 0.02 0.58 0.00 -0.26 0.00 0.00 64.21 64.99 3fe3 n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fe3 n GLY 137 N 1.21 -0.13 7.00 5.00 0.00 0.13 -4.91 105.19 113.49 3fe3 n GLY 137 Ca 0.17 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.78 3fe3 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fe3 n GLY 138 N 1.15 -1.50 3.77 -0.02 0.00 -1.24 -4.61 105.19 102.74 3fe3 n GLY 138 Ca 0.20 -1.25 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 3fe3 n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fe3 s GLU 139 N 0.00 4.71 0.16 1.61 2.02 -1.26 -1.18 118.70 124.76 3fe3 s GLU 139 Ca 0.00 1.37 -0.15 0.00 0.02 0.00 0.00 54.97 56.21 3fe3 s GLU 139 Cb 0.00 -3.09 0.07 0.00 0.10 0.00 0.00 34.13 31.21 3fe3 s GLU 139 CO 0.00 0.44 1.78 0.28 0.02 0.00 0.00 175.26 177.78 3fe3 h VAL 140 N 2.96 0.98 -0.49 2.63 2.07 -1.43 -1.46 116.25 121.51 3fe3 h VAL 140 Ca -0.46 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 3fe3 h VAL 140 Cb 1.20 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3fe3 h VAL 140 CO 0.67 0.08 0.08 0.15 0.02 0.00 0.00 177.57 178.56 3fe3 h PHE 141 N 0.42 0.79 -0.40 1.57 3.57 -1.85 -0.34 116.94 120.70 3fe3 h PHE 141 Ca 0.18 -0.08 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3fe3 h PHE 141 Cb 0.08 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3fe3 h PHE 141 CO -0.10 0.70 0.05 -0.44 -2.23 0.00 0.00 178.31 176.29 3fe3 h ASP 142 N 0.73 0.56 -0.72 0.41 3.32 -1.88 0.36 116.42 119.20 3fe3 h ASP 142 Ca 0.16 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3fe3 h ASP 142 Cb 0.34 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3fe3 h ASP 142 CO 0.01 0.60 0.32 0.22 -1.72 0.00 0.00 179.24 178.66 3fe3 h TYR 143 N 0.59 1.07 -0.39 4.55 3.20 -0.09 -1.70 116.97 124.20 3fe3 h TYR 143 Ca 0.13 -0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.81 3fe3 h TYR 143 Cb 0.29 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3fe3 h TYR 143 CO 0.01 0.81 -0.26 -0.07 -1.64 0.00 0.00 178.16 177.01 3fe3 h LEU 144 N 1.02 0.83 -0.84 2.82 3.38 -0.41 0.14 115.31 122.26 3fe3 h LEU 144 Ca 0.24 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 3fe3 h LEU 144 Cb 0.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3fe3 h LEU 144 CO -0.03 1.05 0.26 0.58 0.09 0.00 0.00 178.44 180.40 3fe3 h VAL 145 N 0.70 1.26 -0.18 1.22 2.07 -0.86 0.03 116.25 120.48 3fe3 h VAL 145 Ca 0.09 -0.84 -0.19 0.00 0.82 0.00 0.00 66.70 66.57 3fe3 h VAL 145 Cb 0.79 0.40 0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3fe3 h VAL 145 CO 0.07 0.34 -0.65 0.00 0.02 0.00 0.00 177.57 177.35 3fe3 h ALA 146 N 1.20 0.32 -0.01 1.67 0.00 -0.93 -3.38 119.26 118.14 3fe3 h ALA 146 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fe3 h ALA 146 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3fe3 h ALA 146 CO -0.01 0.61 -0.10 0.72 0.00 0.00 0.00 179.25 180.46 3fe3 n HIS 147 N -4.03 0.00 -2.91 0.00 8.25 0.47 -5.10 115.22 111.89 3fe3 n HIS 147 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 3fe3 n HIS 147 Cb 0.68 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.78 3fe3 n HIS 147 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fe3 n GLY 148 N 0.69 -1.97 3.61 -1.41 0.00 -0.01 -4.93 105.19 101.17 3fe3 n GLY 148 Ca 0.04 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.32 3fe3 n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3fe3 n ARG 149 N -0.85 0.69 -3.24 1.61 1.85 -1.26 -4.64 116.66 110.82 3fe3 n ARG 149 Ca 0.00 0.28 -0.36 0.00 -1.00 0.00 0.00 57.85 56.77 3fe3 n ARG 149 Cb 0.05 -2.17 -0.06 0.00 -1.05 0.00 0.00 32.46 29.23 3fe3 n ARG 149 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3fe3 s MET 150 N -3.01 4.13 0.85 2.89 -1.94 -0.46 -4.96 119.30 116.79 3fe3 s MET 150 Ca 0.75 0.69 -0.11 0.00 -1.71 0.00 0.00 55.69 55.30 3fe3 s MET 150 Cb -0.38 -2.97 0.10 0.00 2.01 0.00 0.00 34.83 33.60 3fe3 s MET 150 CO 0.49 0.47 1.15 0.15 -0.01 0.00 0.00 175.02 177.27 3fe3 s LYS 151 N -1.82 1.50 0.29 2.03 1.02 -1.26 -4.58 119.74 116.92 3fe3 s LYS 151 Ca 0.38 1.53 -0.02 0.00 0.02 0.00 0.00 55.97 57.88 3fe3 s LYS 151 Cb -0.16 -1.78 0.41 0.00 -0.52 0.00 0.00 37.83 35.77 3fe3 s LYS 151 CO 0.20 -2.27 1.93 0.93 -0.92 0.00 0.00 175.35 175.22 3fe3 h GLU 152 N -1.37 1.06 -0.49 1.68 5.08 -1.95 -1.35 114.58 117.24 3fe3 h GLU 152 Ca -0.44 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 57.89 3fe3 h GLU 152 Cb 1.27 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3fe3 h GLU 152 CO 0.45 0.75 0.14 -0.22 -1.00 0.00 0.00 179.01 179.14 3fe3 h LYS 153 N 1.08 0.29 -0.07 2.33 3.64 -2.00 -0.38 116.57 121.45 3fe3 h LYS 153 Ca 0.28 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.41 3fe3 h LYS 153 Cb -0.03 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 3fe3 h LYS 153 CO -0.05 0.19 -0.86 1.49 -2.27 0.00 0.00 179.45 177.95 3fe3 h GLU 154 N 0.30 0.63 -0.97 1.90 4.81 -1.73 -2.82 114.58 116.71 3fe3 h GLU 154 Ca 0.24 -0.58 0.09 0.00 -0.13 0.00 0.00 59.36 58.98 3fe3 h GLU 154 Cb 0.28 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.73 3fe3 h GLU 154 CO -0.27 1.19 0.62 0.00 -0.73 0.00 0.00 179.01 179.82 3fe3 h ALA 155 N 0.63 1.51 -0.21 2.92 0.00 -1.11 -2.37 119.26 120.63 3fe3 h ALA 155 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3fe3 h ALA 155 Cb 1.49 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3fe3 h ALA 155 CO 0.17 0.31 0.11 -0.09 0.00 0.00 0.00 179.25 179.74 3fe3 h ARG 156 N 1.04 0.29 -0.38 0.00 2.43 -0.97 0.20 114.38 116.98 3fe3 h ARG 156 Ca 0.44 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.53 3fe3 h ARG 156 Cb 0.33 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3fe3 h ARG 156 CO -0.20 0.29 0.04 0.66 -1.51 0.00 0.00 179.97 179.25 3fe3 h SER 157 N 0.22 0.54 -0.17 -3.80 4.64 -1.23 -0.25 113.55 113.50 3fe3 h SER 157 Ca 0.07 -0.09 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3fe3 h SER 157 Cb 0.08 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3fe3 h SER 157 CO -0.01 0.58 -0.45 0.11 -0.87 0.00 0.00 176.83 176.19 3fe3 h LYS 158 N 0.56 0.60 -0.12 4.77 1.79 -1.17 -3.22 116.57 119.79 3fe3 h LYS 158 Ca 0.12 -0.42 -0.13 0.00 -2.18 0.00 0.00 60.65 58.04 3fe3 h LYS 158 Cb 0.29 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 3fe3 h LYS 158 CO 0.00 1.04 -0.50 0.35 -1.08 0.00 0.00 179.45 179.27 3fe3 h PHE 159 N 0.25 0.38 -0.62 -1.35 3.57 -0.33 -1.78 116.94 117.06 3fe3 h PHE 159 Ca -0.01 -0.12 0.06 0.00 3.53 0.00 0.00 57.97 61.43 3fe3 h PHE 159 Cb 1.06 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 39.67 3fe3 h PHE 159 CO 0.10 0.75 0.32 0.00 -2.23 0.00 0.00 178.31 177.25 3fe3 h ARG 160 N 0.25 0.58 -0.72 1.11 3.08 -1.15 0.50 114.38 118.02 3fe3 h ARG 160 Ca 0.01 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 3fe3 h ARG 160 Cb 0.97 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.85 3fe3 h ARG 160 CO 0.08 0.38 0.30 1.96 -1.07 0.00 0.00 179.97 181.62 3fe3 h GLN 161 N 0.60 1.08 -0.16 0.04 4.20 -1.48 -1.26 115.11 118.12 3fe3 h GLN 161 Ca 0.29 -0.19 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3fe3 h GLN 161 Cb 0.21 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 3fe3 h GLN 161 CO -0.20 0.88 -0.18 0.82 -0.67 0.00 0.00 178.83 179.48 3fe3 h ILE 162 N 1.04 1.35 -0.64 2.54 2.04 -1.01 -1.26 117.51 121.57 3fe3 h ILE 162 Ca 0.24 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.72 3fe3 h ILE 162 Cb 0.20 1.88 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 3fe3 h ILE 162 CO -0.02 0.41 0.33 0.58 0.00 0.00 0.00 178.15 179.45 3fe3 h VAL 163 N 0.03 1.21 -0.47 1.67 2.07 -0.87 -1.12 116.25 118.76 3fe3 h VAL 163 Ca 0.02 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 67.00 3fe3 h VAL 163 Cb 0.73 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3fe3 h VAL 163 CO 0.04 0.23 0.30 -1.28 0.02 0.00 0.00 177.57 176.89 3fe3 h SER 164 N 0.87 0.51 -0.22 0.57 0.87 -1.17 0.88 113.55 115.87 3fe3 h SER 164 Ca 0.22 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.74 3fe3 h SER 164 Cb 0.07 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3fe3 h SER 164 CO -0.03 0.37 -0.02 0.00 -0.53 0.00 0.00 176.83 176.62 3fe3 h ALA 165 N 1.19 0.29 -0.37 6.23 0.00 -0.93 -1.94 119.26 123.72 3fe3 h ALA 165 Ca 0.18 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 3fe3 h ALA 165 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3fe3 h ALA 165 CO -0.06 0.04 -0.33 0.28 0.00 0.00 0.00 179.25 179.19 3fe3 h VAL 166 N 0.14 1.28 -0.65 0.00 2.07 -1.05 -2.22 116.25 115.81 3fe3 h VAL 166 Ca 0.06 -1.49 0.02 0.00 0.82 0.00 0.00 66.70 66.10 3fe3 h VAL 166 Cb 0.44 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 31.57 3fe3 h VAL 166 CO 0.01 0.50 0.43 -0.61 0.02 0.00 0.00 177.57 177.92 3fe3 h GLN 167 N 0.68 0.82 -0.48 1.57 -0.00 -0.80 -0.32 115.11 116.59 3fe3 h GLN 167 Ca 0.06 -0.05 -0.05 0.00 -0.00 0.00 0.00 58.65 58.62 3fe3 h GLN 167 Cb 0.91 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 3fe3 h GLN 167 CO 0.08 0.55 0.11 -0.92 0.00 0.00 0.00 178.83 178.65 3fe3 h TYR 168 N 0.85 0.81 -0.40 3.99 3.20 -0.94 -0.49 116.97 123.99 3fe3 h TYR 168 Ca 0.25 -0.10 0.02 0.00 3.14 0.00 0.00 58.73 62.03 3fe3 h TYR 168 Cb -0.05 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 3fe3 h TYR 168 CO -0.00 0.73 0.24 0.00 -1.64 0.00 0.00 178.16 177.49 3fe3 h HIS 170 N 0.48 0.93 0.00 0.00 3.86 -0.60 -0.85 115.15 118.97 3fe3 h HIS 170 Ca 0.16 -0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.33 3fe3 h HIS 170 Cb 0.00 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 28.17 3fe3 h HIS 170 CO -0.07 0.63 -0.16 0.37 0.86 0.00 0.00 177.93 179.56 3fe3 h GLN 171 N 0.97 0.00 -0.62 2.45 4.15 -0.95 -0.37 115.11 120.73 3fe3 h GLN 171 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3fe3 h GLN 171 Cb -0.02 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.67 3fe3 h GLN 171 CO -0.05 0.16 0.00 1.63 -1.93 0.00 0.00 178.83 178.64 3fe3 n LYS 172 N -4.07 4.32 -2.27 1.69 5.02 -0.45 -4.95 118.16 117.45 3fe3 n LYS 172 Ca -0.02 -2.89 -0.14 0.00 -2.02 0.00 0.00 58.31 53.25 3fe3 n LYS 172 Cb 0.24 -2.11 -0.01 0.00 -0.02 0.00 0.00 35.03 33.14 3fe3 n LYS 172 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3fe3 n ARG 173 N 0.75 -1.15 -3.89 1.97 5.12 -0.15 -5.00 116.66 114.32 3fe3 n ARG 173 Ca 0.26 0.66 -0.35 0.00 -1.93 0.00 0.00 57.85 56.48 3fe3 n ARG 173 Cb 1.05 -4.91 -0.14 0.00 -1.16 0.00 0.00 32.46 27.30 3fe3 n ARG 173 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3fe3 s ILE 174 N -2.69 3.35 0.00 0.55 -1.09 -0.47 -5.01 121.20 115.85 3fe3 s ILE 174 Ca 0.01 -0.69 0.07 0.00 -2.23 0.00 0.00 60.65 57.81 3fe3 s ILE 174 Cb -0.00 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.24 3fe3 s ILE 174 CO 0.01 0.29 -0.21 -0.69 -1.23 0.00 0.00 174.94 173.10 3fe3 s VAL 175 N 1.44 1.70 -0.17 2.92 1.01 -1.26 -3.52 120.40 122.52 3fe3 s VAL 175 Ca 0.04 -1.02 -0.13 0.00 0.00 0.00 0.00 61.98 60.87 3fe3 s VAL 175 Cb -0.15 -1.44 -0.22 0.00 0.00 0.00 0.00 36.38 34.57 3fe3 s VAL 175 CO -0.02 0.40 0.23 1.57 0.00 0.00 0.00 175.10 177.27 3fe3 n HIS 176 N 2.32 1.03 -2.25 5.22 -0.00 -1.26 -4.65 115.22 115.63 3fe3 n HIS 176 Ca -0.16 0.31 -0.16 0.00 0.46 0.00 0.00 57.72 58.18 3fe3 n HIS 176 Cb 0.53 -1.12 -0.02 0.00 -0.12 0.00 0.00 29.99 29.26 3fe3 n HIS 176 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 3fe3 n ARG 177 N -3.93 -1.90 -1.05 1.57 1.74 -1.26 -4.77 116.66 107.06 3fe3 n ARG 177 Ca -0.34 0.78 -0.05 0.00 -0.77 0.00 0.00 57.85 57.47 3fe3 n ARG 177 Cb 0.88 -5.35 -0.06 0.00 -1.02 0.00 0.00 32.46 26.91 3fe3 n ARG 177 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3fe3 n ASP 178 N -1.69 -0.72 -4.77 0.55 2.03 -1.26 -5.06 116.55 105.64 3fe3 n ASP 178 Ca -0.18 -1.98 -0.41 0.00 0.52 0.00 0.00 54.79 52.74 3fe3 n ASP 178 Cb 0.62 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 41.24 3fe3 n ASP 178 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3fe3 n LEU 179 N 0.06 4.80 -3.90 -2.67 4.77 -1.26 -4.93 117.00 113.88 3fe3 n LEU 179 Ca -0.23 1.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.85 3fe3 n LEU 179 Cb 0.75 -1.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.22 3fe3 n LEU 179 CO -0.12 0.02 0.38 -1.59 -1.33 0.00 0.00 177.39 174.75 3fe3 s LYS 180 N -2.19 1.93 0.36 3.23 -2.85 -1.26 -4.62 119.74 114.34 3fe3 s LYS 180 Ca 0.56 -1.33 0.04 0.00 -1.00 0.00 0.00 55.97 54.23 3fe3 s LYS 180 Cb -0.47 0.56 0.69 0.00 -2.06 0.00 0.00 37.83 36.55 3fe3 s LYS 180 CO 0.62 -0.87 1.99 0.00 0.10 0.00 0.00 175.35 177.19 3fe3 h ALA 181 N 2.07 1.55 0.00 0.59 0.00 -1.94 -1.24 119.26 120.28 3fe3 h ALA 181 Ca -0.27 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fe3 h ALA 181 Cb 1.25 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fe3 h ALA 181 CO 0.34 0.38 0.07 0.93 0.00 0.00 0.00 179.25 180.97 3fe3 h GLU 182 N 0.68 0.00 0.00 0.00 3.07 -1.96 -2.04 114.58 114.33 3fe3 h GLU 182 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3fe3 h GLU 182 Cb 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3fe3 h GLU 182 CO -0.03 0.00 -0.01 -0.91 -1.40 0.00 0.00 179.01 176.66 3fe3 h ASN 183 N 0.00 0.00 -3.76 1.42 -0.26 -1.45 -3.43 115.58 108.10 3fe3 h ASN 183 Ca 0.00 -0.00 -0.68 0.00 -0.56 0.00 0.00 56.30 55.05 3fe3 h ASN 183 Cb 0.13 0.00 -0.33 0.00 -1.06 0.00 0.00 38.32 37.06 3fe3 h ASN 183 CO 0.00 0.00 -0.70 -0.76 -1.06 0.00 0.00 177.43 174.92 3fe3 s LEU 184 N -5.04 3.97 0.43 1.61 1.02 -0.77 -0.84 118.68 119.06 3fe3 s LEU 184 Ca 0.09 -1.33 0.07 0.00 0.02 0.00 0.00 54.13 52.98 3fe3 s LEU 184 Cb 0.10 -1.71 -0.04 0.00 0.02 0.00 0.00 46.19 44.56 3fe3 s LEU 184 CO 0.62 -0.28 0.22 -0.76 0.02 0.00 0.00 176.35 176.18 3fe3 s LEU 185 N 1.24 3.08 0.03 1.79 1.43 0.09 -1.25 118.68 125.08 3fe3 s LEU 185 Ca -0.04 -1.08 0.07 0.00 -1.03 0.00 0.00 54.13 52.05 3fe3 s LEU 185 Cb -0.20 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3fe3 s LEU 185 CO -0.01 -0.63 -0.20 -0.76 0.23 0.00 0.00 176.35 174.98 3fe3 s LEU 186 N -3.97 2.13 0.00 1.79 1.43 -0.33 -0.64 118.68 119.09 3fe3 s LEU 186 Ca 0.40 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3fe3 s LEU 186 Cb 0.02 -0.97 0.09 0.00 0.03 0.00 0.00 46.19 45.36 3fe3 s LEU 186 CO 0.22 0.18 0.62 -0.90 0.23 0.00 0.00 176.35 176.70 3fe3 n ASP 187 N 2.08 0.98 0.27 2.29 5.68 -0.63 0.17 116.55 127.39 3fe3 n ASP 187 Ca -0.17 -1.79 0.13 0.00 -0.50 0.00 0.00 54.79 52.46 3fe3 n ASP 187 Cb 0.53 -0.39 0.75 0.00 -1.14 0.00 0.00 41.12 40.87 3fe3 n ASP 187 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3fe3 h ALA 188 N -0.37 1.32 -0.55 2.12 0.00 -1.91 -1.14 119.26 118.73 3fe3 h ALA 188 Ca -0.20 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3fe3 h ALA 188 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3fe3 h ALA 188 CO 0.23 0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 3fe3 n ASP 189 N -3.68 4.20 -0.89 0.00 8.00 -1.26 -4.92 116.55 118.00 3fe3 n ASP 189 Ca -0.02 -2.41 -0.12 0.00 0.71 0.00 0.00 54.79 52.96 3fe3 n ASP 189 Cb 0.22 -0.54 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 3fe3 n ASP 189 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3fe3 n MET 190 N 0.92 -1.07 -2.77 -1.24 2.81 -0.43 -5.02 117.12 110.33 3fe3 n MET 190 Ca 0.22 0.88 -0.35 0.00 -1.81 0.00 0.00 57.70 56.64 3fe3 n MET 190 Cb 0.80 -4.97 -0.06 0.00 -0.71 0.00 0.00 33.22 28.28 3fe3 n MET 190 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3fe3 s ASN 191 N -2.69 7.08 0.25 7.83 0.01 -1.26 -4.81 114.94 121.36 3fe3 s ASN 191 Ca 0.00 1.80 -0.30 0.00 -0.71 0.00 0.00 52.86 53.65 3fe3 s ASN 191 Cb 0.00 -2.56 -0.09 0.00 0.41 0.00 0.00 41.25 39.01 3fe3 s ASN 191 CO 0.00 -0.25 1.19 -0.63 -1.51 0.00 0.00 177.10 175.90 3fe3 s ILE 192 N -1.87 3.33 -0.19 0.60 -1.09 -1.26 -1.60 121.20 119.11 3fe3 s ILE 192 Ca 0.56 1.24 -0.01 0.00 -2.23 0.00 0.00 60.65 60.22 3fe3 s ILE 192 Cb -0.15 -3.79 0.05 0.00 -1.58 0.00 0.00 42.46 36.99 3fe3 s ILE 192 CO 0.19 0.25 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.58 3fe3 s LYS 193 N -0.99 1.34 -0.11 2.79 -0.14 0.19 -4.42 119.74 118.40 3fe3 s LYS 193 Ca 0.49 -0.65 -0.23 0.00 -1.36 0.00 0.00 55.97 54.22 3fe3 s LYS 193 Cb -0.34 -2.21 -0.03 0.00 -1.68 0.00 0.00 37.83 33.57 3fe3 s LYS 193 CO 0.42 -0.52 0.70 0.42 -0.76 0.00 0.00 175.35 175.61 3fe3 s ILE 194 N 1.60 5.02 0.00 2.17 -1.09 0.23 -0.73 121.20 128.40 3fe3 s ILE 194 Ca -0.02 1.42 0.03 0.00 -2.23 0.00 0.00 60.65 59.85 3fe3 s ILE 194 Cb -0.17 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.65 3fe3 s ILE 194 CO -0.07 0.19 -0.06 0.00 -1.23 0.00 0.00 174.94 173.78 3fe3 s ALA 195 N 1.20 3.06 -1.48 9.38 0.00 -0.02 -1.46 121.76 132.44 3fe3 s ALA 195 Ca 0.36 -1.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3fe3 s ALA 195 Cb -0.17 -1.17 0.02 0.00 0.00 0.00 0.00 23.12 21.80 3fe3 s ALA 195 CO 0.16 0.62 0.38 -0.25 0.00 0.00 0.00 175.76 176.66 3fe3 n ASP 196 N 1.53 -5.31 -4.69 0.00 8.00 -1.26 -4.52 116.55 110.29 3fe3 n ASP 196 Ca -0.15 -0.18 -0.42 0.00 0.71 0.00 0.00 54.79 54.74 3fe3 n ASP 196 Cb 0.53 -4.36 -0.03 0.00 -0.02 0.00 0.00 41.12 37.24 3fe3 n ASP 196 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fe3 s PHE 197 N -3.03 3.52 -1.33 1.24 2.19 -1.26 -2.35 117.98 116.97 3fe3 s PHE 197 Ca 0.22 1.50 -0.03 0.00 0.33 0.00 0.00 56.93 58.95 3fe3 s PHE 197 Cb -0.10 -3.10 0.00 0.00 -1.31 0.00 0.00 43.02 38.51 3fe3 s PHE 197 CO 0.27 -0.17 0.38 0.41 1.83 0.00 0.00 175.22 177.95 3fe3 n GLY 198 N 3.15 -0.31 2.82 13.12 0.00 -1.26 -4.99 105.19 117.72 3fe3 n GLY 198 Ca 0.06 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3fe3 n GLY 198 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3fe3 s PHE 199 N -3.02 1.41 0.35 1.61 5.36 -0.99 -4.89 117.98 117.82 3fe3 s PHE 199 Ca 0.19 -0.98 -0.27 0.00 -0.96 0.00 0.00 56.93 54.91 3fe3 s PHE 199 Cb -0.08 -1.18 -0.12 0.00 -0.34 0.00 0.00 43.02 41.30 3fe3 s PHE 199 CO 0.23 -0.60 1.20 0.45 -1.46 0.00 0.00 175.22 175.04 3fe3 n SER 200 N 4.95 2.25 0.26 6.13 2.88 -1.26 -4.85 113.62 123.97 3fe3 n SER 200 Ca -0.10 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.75 3fe3 n SER 200 Cb 0.47 -1.43 0.77 0.00 -0.75 0.00 0.00 64.21 63.27 3fe3 n SER 200 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fe3 h ASN 201 N 2.24 0.00 0.03 -3.46 2.35 -1.95 -1.70 115.58 113.09 3fe3 h ASN 201 Ca -0.45 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.30 3fe3 h ASN 201 Cb 1.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 3fe3 h ASN 201 CO 0.61 0.00 -0.03 -0.08 -1.65 0.00 0.00 177.43 176.28 3fe3 h GLU 202 N 0.00 0.00 -0.36 0.81 4.81 -1.90 -2.76 114.58 115.19 3fe3 h GLU 202 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fe3 h GLU 202 Cb 0.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.68 3fe3 h GLU 202 CO 0.00 0.03 0.00 1.19 -0.73 0.00 0.00 179.01 179.50 3fe3 n PHE 203 N -4.41 1.20 -3.46 0.92 3.72 -0.64 -4.45 117.46 110.34 3fe3 n PHE 203 Ca -0.03 -0.81 -0.20 0.00 -0.05 0.00 0.00 57.45 56.36 3fe3 n PHE 203 Cb 0.12 -0.34 -0.02 0.00 -0.94 0.00 0.00 39.48 38.30 3fe3 n PHE 203 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3fe3 s THR 204 N -2.65 2.84 0.03 4.37 -4.23 -1.04 -4.74 115.64 110.22 3fe3 s THR 204 Ca 0.44 -1.26 -0.22 0.00 -1.18 0.00 0.00 61.69 59.47 3fe3 s THR 204 Cb 0.34 -3.03 -0.16 0.00 1.34 0.00 0.00 72.50 71.00 3fe3 s THR 204 CO 0.12 -0.02 1.35 0.58 -0.54 0.00 0.00 174.62 176.10 3fe3 h VAL 205 N 0.96 1.34 0.00 2.29 2.07 -1.88 -3.23 116.25 117.80 3fe3 h VAL 205 Ca -0.41 -1.19 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 3fe3 h VAL 205 Cb 1.27 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.92 3fe3 h VAL 205 CO 0.55 0.34 -0.27 1.23 0.02 0.00 0.00 177.57 179.43 3fe3 h GLY 206 N -0.14 0.00 0.00 2.17 0.00 -1.90 -3.33 103.07 99.87 3fe3 h GLY 206 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3fe3 h GLY 206 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3fe3 n GLY 207 N -0.11 -0.31 0.28 4.60 0.00 -1.22 -3.85 105.19 104.58 3fe3 n GLY 207 Ca -0.01 -1.01 0.07 0.00 0.00 0.00 0.00 46.02 45.07 3fe3 n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fe3 h LYS 208 N 0.00 0.19 -1.01 1.61 1.57 -1.95 -1.22 116.57 115.77 3fe3 h LYS 208 Ca 0.00 -0.01 0.28 0.00 -1.87 0.00 0.00 60.65 59.05 3fe3 h LYS 208 Cb 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3fe3 h LYS 208 CO 0.00 0.13 0.70 -0.07 -0.57 0.00 0.00 179.45 179.64 3fe3 h LEU 209 N 0.19 0.15 -0.56 2.94 3.38 -1.96 0.99 115.31 120.44 3fe3 h LEU 209 Ca 0.45 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.42 3fe3 h LEU 209 Cb 0.82 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 3fe3 h LEU 209 CO -0.60 0.04 0.27 0.44 0.09 0.00 0.00 178.44 178.67 3fe3 h ASP 210 N 0.14 0.74 -0.03 -0.43 3.32 -1.32 0.33 116.42 119.17 3fe3 h ASP 210 Ca 0.51 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.41 3fe3 h ASP 210 Cb 1.75 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 41.11 3fe3 h ASP 210 CO -0.09 0.67 -0.02 0.00 -1.72 0.00 0.00 179.24 178.08 3fe3 h ALA 211 N 1.10 0.04 -0.68 3.45 0.00 -0.99 0.33 119.26 122.51 3fe3 h ALA 211 Ca 0.19 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3fe3 h ALA 211 Cb 0.13 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fe3 h ALA 211 CO -0.02 -0.21 0.13 0.74 0.00 0.00 0.00 179.25 179.89 3fe3 h PHE 212 N -0.38 1.16 -0.04 0.00 0.04 -0.96 0.11 116.94 116.87 3fe3 h PHE 212 Ca 0.01 -0.15 -0.15 0.00 2.80 0.00 0.00 57.97 60.48 3fe3 h PHE 212 Cb 0.49 -0.32 0.01 0.00 2.20 0.00 0.00 35.95 38.32 3fe3 h PHE 212 CO 0.08 0.96 -0.54 0.00 -0.60 0.00 0.00 178.31 178.21 3fe3 n GLY 214 N 0.91 -0.42 0.08 0.00 0.00 0.11 -4.62 105.19 101.25 3fe3 n GLY 214 Ca -0.09 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3fe3 n GLY 214 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fe3 h ALA 215 N 2.37 0.47 -0.99 4.61 0.00 -0.83 -3.39 119.26 121.50 3fe3 h ALA 215 Ca 0.00 -1.16 0.14 0.00 0.00 0.00 0.00 54.91 53.89 3fe3 h ALA 215 Cb 0.41 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 3fe3 h ALA 215 CO 0.00 1.34 0.62 -1.35 0.00 0.00 0.00 179.25 179.86 3fe3 h PRO 216 N 0.02 0.88 0.00 0.00 0.11 -1.79 -1.14 132.00 130.08 3fe3 h PRO 216 Ca -0.17 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.88 3fe3 h PRO 216 Cb 1.92 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.83 3fe3 h PRO 216 CO 0.12 0.58 -0.04 -1.35 -0.21 0.00 0.00 178.00 177.10 3fe3 h PRO 217 N 0.90 0.00 -0.01 1.05 0.11 -1.88 -1.86 132.00 130.31 3fe3 h PRO 217 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3fe3 h PRO 217 Cb 0.61 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3fe3 h PRO 217 CO -0.28 0.04 -0.43 0.66 -0.21 0.00 0.00 178.00 177.78 3fe3 n TYR 218 N -3.29 0.00 -2.28 0.65 4.02 -0.48 -4.78 117.16 111.00 3fe3 n TYR 218 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.47 3fe3 n TYR 218 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.47 3fe3 n TYR 218 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3fe3 s ALA 219 N -2.28 3.47 0.55 -0.72 0.00 -0.70 -4.03 121.76 118.05 3fe3 s ALA 219 Ca 0.16 1.09 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 3fe3 s ALA 219 Cb 0.16 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3fe3 s ALA 219 CO 0.52 -0.43 1.08 0.00 0.00 0.00 0.00 175.76 176.92 3fe3 s ALA 220 N -0.89 2.74 0.53 0.00 0.00 -1.26 -4.92 121.76 117.95 3fe3 s ALA 220 Ca 0.49 0.59 0.28 0.00 0.00 0.00 0.00 51.96 53.32 3fe3 s ALA 220 Cb -0.36 -3.28 1.67 0.00 0.00 0.00 0.00 23.12 21.15 3fe3 s ALA 220 CO 0.45 -0.69 2.19 -1.00 0.00 0.00 0.00 175.76 176.72 3fe3 h PRO 221 N 0.96 0.00 -0.01 0.00 0.13 -1.89 -1.21 132.00 129.98 3fe3 h PRO 221 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3fe3 h PRO 221 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 3fe3 h PRO 221 CO 0.57 0.04 0.10 1.05 -0.23 0.00 0.00 178.00 179.54 3fe3 h GLU 222 N 0.00 0.00 -0.36 0.86 9.09 -1.91 -1.65 114.58 120.61 3fe3 h GLU 222 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3fe3 h GLU 222 Cb 0.11 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.19 3fe3 h GLU 222 CO 0.01 0.00 0.24 1.25 0.05 0.00 0.00 179.01 180.55 3fe3 h LEU 223 N 0.00 0.41 -3.13 3.06 5.85 -1.51 -1.76 115.31 118.23 3fe3 h LEU 223 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3fe3 h LEU 223 Cb 0.21 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3fe3 h LEU 223 CO -0.00 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 3fe3 n PHE 224 N -4.48 1.13 -0.13 1.25 3.72 -0.63 -4.16 117.46 114.15 3fe3 n PHE 224 Ca 0.02 -0.66 0.05 0.00 -0.05 0.00 0.00 57.45 56.81 3fe3 n PHE 224 Cb 0.06 -0.22 0.12 0.00 -0.94 0.00 0.00 39.48 38.50 3fe3 n PHE 224 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3fe3 n GLN 225 N 0.53 2.85 -0.34 -1.08 1.13 -0.66 -5.01 117.38 114.80 3fe3 n GLN 225 Ca 0.21 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.34 3fe3 n GLN 225 Cb 0.80 -1.22 0.00 0.00 0.11 0.00 0.00 30.24 29.93 3fe3 n GLN 225 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3fe3 n GLY 226 N 0.33 1.48 0.00 1.08 0.00 -1.23 -4.98 105.19 101.86 3fe3 n GLY 226 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3fe3 n GLY 226 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3fe3 n LYS 227 N -2.00 3.74 -0.73 1.61 2.85 -1.26 -5.09 118.16 117.28 3fe3 n LYS 227 Ca 0.00 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.98 3fe3 n LYS 227 Cb 0.00 0.00 0.24 0.00 -0.65 0.00 0.00 35.03 34.62 3fe3 n LYS 227 CO 0.00 0.00 0.00 -1.59 -0.05 0.00 0.00 177.40 175.76 3fe3 s LYS 228 N 3.53 -0.70 -0.46 -1.58 -2.85 -1.26 -4.96 119.74 111.46 3fe3 s LYS 228 Ca 0.00 0.68 0.07 0.00 -1.00 0.00 0.00 55.97 55.72 3fe3 s LYS 228 Cb 0.00 -1.59 0.23 0.00 -2.06 0.00 0.00 37.83 34.41 3fe3 s LYS 228 CO 0.00 -3.53 0.73 0.98 0.10 0.00 0.00 175.35 173.63 3fe3 n TYR 229 N -4.76 -2.39 -0.86 1.78 9.36 -1.26 -4.74 117.16 114.29 3fe3 n TYR 229 Ca 0.03 -2.33 0.00 0.00 3.32 0.00 0.00 57.90 58.92 3fe3 n TYR 229 Cb 0.55 0.92 0.00 0.00 -0.63 0.00 0.00 39.34 40.18 3fe3 n TYR 229 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3fe3 n ASP 230 N 1.80 0.00 -4.64 2.98 5.68 -1.26 -5.03 116.55 116.08 3fe3 n ASP 230 Ca 0.15 -0.36 -0.24 0.00 -0.50 0.00 0.00 54.79 53.85 3fe3 n ASP 230 Cb 0.58 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.68 3fe3 n ASP 230 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 3fe3 s GLY 231 N 0.00 1.75 0.54 6.12 0.00 -1.26 -4.94 107.32 109.53 3fe3 s GLY 231 Ca 0.00 -1.84 0.36 0.00 0.00 0.00 0.00 44.72 43.24 3fe3 s GLY 231 CO 0.00 -1.23 2.10 -0.56 0.00 0.00 0.00 173.10 173.41 3fe3 h PRO 232 N -0.58 0.00 0.00 2.90 0.13 -1.98 -2.38 132.00 130.08 3fe3 h PRO 232 Ca -0.35 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.73 3fe3 h PRO 232 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 3fe3 h PRO 232 CO 0.38 0.00 -0.23 0.93 -0.23 0.00 0.00 178.00 178.85 3fe3 h GLU 233 N 0.00 0.00 -0.34 0.86 3.07 -1.94 -1.35 114.58 114.89 3fe3 h GLU 233 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.82 3fe3 h GLU 233 Cb 0.11 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3fe3 h GLU 233 CO 0.00 0.23 0.04 0.28 -1.40 0.00 0.00 179.01 178.17 3fe3 h VAL 234 N 0.00 1.24 -0.06 3.13 2.07 -1.81 -2.09 116.25 118.74 3fe3 h VAL 234 Ca -0.00 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 3fe3 h VAL 234 Cb 0.47 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 3fe3 h VAL 234 CO 0.03 0.28 -0.29 0.44 0.02 0.00 0.00 177.57 178.05 3fe3 h ASP 235 N 0.39 0.10 -0.10 0.57 3.32 -1.44 -2.50 116.42 116.77 3fe3 h ASP 235 Ca 0.10 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3fe3 h ASP 235 Cb 0.37 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3fe3 h ASP 235 CO 0.01 0.39 0.02 0.58 -1.72 0.00 0.00 179.24 178.52 3fe3 h VAL 236 N 0.09 1.21 -0.53 -1.35 2.07 -1.03 -0.42 116.25 116.29 3fe3 h VAL 236 Ca 0.01 -0.64 0.11 0.00 0.82 0.00 0.00 66.70 67.00 3fe3 h VAL 236 Cb 0.56 1.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.69 3fe3 h VAL 236 CO 0.04 0.18 -0.11 -0.25 0.02 0.00 0.00 177.57 177.46 3fe3 h TRP 237 N -0.06 -0.23 -0.62 1.57 2.91 -1.19 -1.34 115.95 116.99 3fe3 h TRP 237 Ca 0.03 0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.13 3fe3 h TRP 237 Cb 0.27 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.07 3fe3 h TRP 237 CO 0.01 -0.21 0.41 0.77 -1.03 0.00 0.00 178.44 178.39 3fe3 h SER 238 N 0.02 0.63 0.86 2.65 0.02 -1.09 0.72 113.55 117.37 3fe3 h SER 238 Ca 0.26 -0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 3fe3 h SER 238 Cb 0.40 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 3fe3 h SER 238 CO -0.53 0.44 -0.27 -0.07 -1.14 0.00 0.00 176.83 175.26 3fe3 h LEU 239 N 0.74 0.00 -0.36 5.07 4.07 0.03 -1.04 115.31 123.81 3fe3 h LEU 239 Ca 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 3fe3 h LEU 239 Cb 0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3fe3 h LEU 239 CO -0.07 0.27 -0.03 1.23 -1.08 0.00 0.00 178.44 178.77 3fe3 h GLY 240 N 1.99 0.71 0.76 0.83 0.00 -0.25 -0.46 103.07 106.66 3fe3 h GLY 240 Ca -0.00 -0.55 0.04 0.00 0.00 0.00 0.00 47.33 46.82 3fe3 h GLY 240 CO 0.04 0.50 0.21 -2.08 0.00 0.00 0.00 176.54 175.21 3fe3 h VAL 241 N 0.46 0.96 0.02 4.60 2.07 -0.99 -1.39 116.25 121.99 3fe3 h VAL 241 Ca 0.10 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.49 3fe3 h VAL 241 Cb 0.51 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3fe3 h VAL 241 CO 0.02 0.08 -0.08 0.40 0.02 0.00 0.00 177.57 178.01 3fe3 h ILE 242 N 0.42 0.80 -0.58 4.57 2.04 -1.04 -0.82 117.51 122.91 3fe3 h ILE 242 Ca 0.19 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.15 3fe3 h ILE 242 Cb 0.10 0.80 -0.08 0.00 -0.74 0.00 0.00 36.82 36.90 3fe3 h ILE 242 CO -0.14 0.00 0.12 0.25 0.00 0.00 0.00 178.15 178.38 3fe3 h LEU 243 N -0.15 -0.01 -0.78 1.44 5.85 -0.92 -0.69 115.31 120.05 3fe3 h LEU 243 Ca 0.02 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.90 3fe3 h LEU 243 Cb 0.18 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3fe3 h LEU 243 CO -0.06 0.01 0.48 0.22 -0.34 0.00 0.00 178.44 178.75 3fe3 h TYR 244 N 0.25 0.90 -0.41 1.25 5.03 -0.90 -2.02 116.97 121.06 3fe3 h TYR 244 Ca 0.30 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.57 3fe3 h TYR 244 Cb 0.44 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.41 3fe3 h TYR 244 CO -0.25 0.48 -0.02 1.79 -1.32 0.00 0.00 178.16 178.85 3fe3 h THR 245 N 0.91 1.23 -0.56 1.81 1.35 -0.15 -0.98 112.91 116.51 3fe3 h THR 245 Ca 0.33 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 65.18 3fe3 h THR 245 Cb 0.10 0.93 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 3fe3 h THR 245 CO -0.14 0.32 0.06 -0.07 -0.25 0.00 0.00 175.52 175.44 3fe3 h LEU 246 N 0.63 0.92 0.00 3.87 3.38 -0.50 0.69 115.31 124.30 3fe3 h LEU 246 Ca 0.13 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 3fe3 h LEU 246 Cb 0.42 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3fe3 h LEU 246 CO 0.02 0.97 -0.76 -0.37 0.09 0.00 0.00 178.44 178.38 3fe3 h VAL 247 N 0.84 0.56 0.00 1.22 -1.51 -1.21 -1.23 116.25 114.93 3fe3 h VAL 247 Ca 0.17 -1.87 -0.02 0.00 -1.23 0.00 0.00 66.70 63.75 3fe3 h VAL 247 Cb 0.46 2.15 -0.00 0.00 -2.13 0.00 0.00 31.29 31.77 3fe3 h VAL 247 CO 0.02 0.32 -1.39 -1.54 -1.23 0.00 0.00 177.57 173.74 3fe3 n SER 248 N -3.05 3.15 0.00 4.19 3.41 -0.39 -4.60 113.62 116.33 3fe3 n SER 248 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 3fe3 n SER 248 Cb 0.72 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.94 3fe3 n SER 248 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fe3 n GLY 249 N 2.11 0.59 3.39 5.00 0.00 0.23 -4.50 105.19 112.02 3fe3 n GLY 249 Ca -0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3fe3 n GLY 249 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fe3 s SER 250 N -2.26 0.76 0.14 1.61 1.04 -1.25 -4.76 113.70 108.97 3fe3 s SER 250 Ca 0.00 -1.44 -0.26 0.00 0.48 0.00 0.00 55.95 54.73 3fe3 s SER 250 Cb 0.00 0.56 -0.07 0.00 0.10 0.00 0.00 66.02 66.61 3fe3 s SER 250 CO 0.00 -1.12 0.81 -0.76 0.98 0.00 0.00 173.24 173.16 3fe3 s LEU 251 N -3.22 4.56 0.26 2.42 1.43 -1.26 -3.68 118.68 119.19 3fe3 s LEU 251 Ca 0.34 1.65 0.04 0.00 -1.03 0.00 0.00 54.13 55.12 3fe3 s LEU 251 Cb 0.02 -3.35 0.33 0.00 0.03 0.00 0.00 46.19 43.22 3fe3 s LEU 251 CO 0.18 0.13 1.63 1.55 0.23 0.00 0.00 176.35 180.07 3fe3 h PRO 252 N 4.73 0.32 -5.08 1.29 0.13 -1.92 -3.44 132.00 128.03 3fe3 h PRO 252 Ca -0.46 -0.18 -0.64 0.00 -0.87 0.00 0.00 66.00 63.86 3fe3 h PRO 252 Cb 1.21 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 32.01 3fe3 h PRO 252 CO 0.68 0.73 -0.86 -0.06 -0.23 0.00 0.00 178.00 178.26 3fe3 s PHE 253 N -4.04 2.35 0.25 1.56 0.08 -1.26 -4.72 117.98 112.20 3fe3 s PHE 253 Ca -0.05 -1.06 -0.13 0.00 0.12 0.00 0.00 56.93 55.80 3fe3 s PHE 253 Cb 0.13 -1.61 -0.00 0.00 -0.57 0.00 0.00 43.02 40.96 3fe3 s PHE 253 CO 0.79 -0.48 0.50 0.34 -0.10 0.00 0.00 175.22 176.27 3fe3 s ASP 254 N 0.66 -0.10 0.09 1.36 -1.08 -1.26 -4.83 116.67 111.52 3fe3 s ASP 254 Ca -0.12 -0.91 -0.27 0.00 -0.52 0.00 0.00 52.55 50.74 3fe3 s ASP 254 Cb -0.16 0.60 0.09 0.00 -1.46 0.00 0.00 42.92 41.98 3fe3 s ASP 254 CO 0.03 -1.16 1.10 -0.83 0.52 0.00 0.00 175.17 174.83 3fe3 s GLY 255 N -3.01 -0.25 0.00 2.66 0.00 -1.26 -4.31 107.32 101.15 3fe3 s GLY 255 Ca 0.22 0.26 0.27 0.00 0.00 0.00 0.00 44.72 45.47 3fe3 s GLY 255 CO 0.09 0.54 1.63 -1.06 0.00 0.00 0.00 173.10 174.30 3fe3 n GLN 256 N -0.52 0.13 -3.91 2.90 1.13 -1.26 -4.80 117.38 111.05 3fe3 n GLN 256 Ca -0.06 -0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 54.85 3fe3 n GLN 256 Cb 0.61 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 3fe3 n GLN 256 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3fe3 s ASN 257 N -2.91 0.01 0.25 1.08 2.20 -1.26 -5.04 114.94 109.28 3fe3 s ASN 257 Ca 0.15 -0.96 -0.04 0.00 -0.94 0.00 0.00 52.86 51.07 3fe3 s ASN 257 Cb 0.18 0.73 0.30 0.00 -2.00 0.00 0.00 41.25 40.46 3fe3 s ASN 257 CO 0.61 -1.40 1.82 -0.07 -2.94 0.00 0.00 177.10 175.12 3fe3 h LEU 258 N 2.07 0.93 -0.60 3.54 3.38 -2.00 -1.86 115.31 120.77 3fe3 h LEU 258 Ca -0.26 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 57.63 3fe3 h LEU 258 Cb 1.25 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 41.70 3fe3 h LEU 258 CO 0.33 0.85 0.29 0.50 0.09 0.00 0.00 178.44 180.50 3fe3 h LYS 259 N 0.97 0.53 -0.40 1.13 1.63 -1.99 -0.15 116.57 118.29 3fe3 h LYS 259 Ca 0.22 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 59.90 3fe3 h LYS 259 Cb 0.24 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3fe3 h LYS 259 CO -0.01 0.35 -0.09 0.93 -3.45 0.00 0.00 179.45 177.18 3fe3 h GLU 260 N 0.54 0.77 -0.29 1.90 5.08 -1.85 -1.13 114.58 119.60 3fe3 h GLU 260 Ca 0.28 -0.29 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3fe3 h GLU 260 Cb 0.23 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3fe3 h GLU 260 CO -0.21 0.89 0.10 1.25 -1.00 0.00 0.00 179.01 180.04 3fe3 h LEU 261 N 0.58 0.11 -0.30 1.33 7.12 -1.18 -2.56 115.31 120.41 3fe3 h LEU 261 Ca 0.10 0.03 0.07 0.00 0.13 0.00 0.00 57.88 58.21 3fe3 h LEU 261 Cb 0.60 0.02 -0.07 0.00 -0.53 0.00 0.00 40.66 40.68 3fe3 h LEU 261 CO 0.04 0.10 -0.16 -0.09 -0.13 0.00 0.00 178.44 178.19 3fe3 h ARG 262 N 0.23 -0.12 -0.89 1.25 2.43 -0.87 -0.37 114.38 116.04 3fe3 h ARG 262 Ca 0.13 0.01 0.13 0.00 -0.81 0.00 0.00 59.98 59.44 3fe3 h ARG 262 Cb 0.09 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.60 3fe3 h ARG 262 CO -0.13 -0.08 0.57 1.49 -1.51 0.00 0.00 179.97 180.31 3fe3 h GLU 263 N -0.12 0.70 0.13 0.20 4.81 -0.86 0.09 114.58 119.53 3fe3 h GLU 263 Ca 0.16 -0.04 -0.30 0.00 -0.13 0.00 0.00 59.36 59.05 3fe3 h GLU 263 Cb 0.36 -0.16 0.03 0.00 0.63 0.00 0.00 28.75 29.61 3fe3 h GLU 263 CO -0.38 0.46 -1.25 0.00 -0.73 0.00 0.00 179.01 177.12 3fe3 h ARG 264 N 0.72 0.62 -0.27 1.92 3.08 -1.07 -2.70 114.38 116.68 3fe3 h ARG 264 Ca 0.44 -0.84 -0.01 0.00 0.07 0.00 0.00 59.98 59.64 3fe3 h ARG 264 Cb 0.66 0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.98 3fe3 h ARG 264 CO -0.20 1.38 0.13 0.28 -1.07 0.00 0.00 179.97 180.50 3fe3 h VAL 265 N 0.25 1.14 -0.22 2.04 2.07 -0.59 -1.67 116.25 119.28 3fe3 h VAL 265 Ca -0.19 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3fe3 h VAL 265 Cb 1.93 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 3fe3 h VAL 265 CO 0.24 0.14 -0.10 -0.07 0.02 0.00 0.00 177.57 177.80 3fe3 h LEU 266 N 0.30 0.32 -0.66 2.57 3.38 -1.07 -2.33 115.31 117.83 3fe3 h LEU 266 Ca 0.09 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 3fe3 h LEU 266 Cb 0.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3fe3 h LEU 266 CO -0.01 0.46 -0.66 -0.09 0.09 0.00 0.00 178.44 178.22 3fe3 h ARG 267 N 0.33 0.04 0.00 1.13 2.43 -1.31 -3.47 114.38 113.52 3fe3 h ARG 267 Ca 0.07 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fe3 h ARG 267 Cb 0.38 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3fe3 h ARG 267 CO 0.02 0.69 0.00 0.41 -1.51 0.00 0.00 179.97 179.58 3fe3 n GLY 268 N 0.38 0.50 3.83 2.80 0.00 -0.64 -5.01 105.19 107.05 3fe3 n GLY 268 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 3fe3 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fe3 s LYS 269 N -0.38 3.95 0.04 1.61 1.02 -1.26 -5.04 119.74 119.68 3fe3 s LYS 269 Ca 0.00 0.42 -0.08 0.00 0.02 0.00 0.00 55.97 56.33 3fe3 s LYS 269 Cb 0.00 -3.23 -0.00 0.00 -0.52 0.00 0.00 37.83 34.07 3fe3 s LYS 269 CO 0.00 0.66 0.15 1.52 -0.92 0.00 0.00 175.35 176.76 3fe3 s TYR 270 N -0.97 0.12 0.10 3.18 1.13 -1.26 -4.93 117.35 114.73 3fe3 s TYR 270 Ca 0.24 -0.38 -0.30 0.00 -1.41 0.00 0.00 57.07 55.21 3fe3 s TYR 270 Cb -0.17 -0.08 -0.06 0.00 -1.10 0.00 0.00 41.96 40.55 3fe3 s TYR 270 CO 0.13 -0.40 1.05 0.50 -2.51 0.00 0.00 175.55 174.32 3fe3 s ARG 271 N -2.60 4.59 -0.46 -3.49 3.52 -1.26 -5.03 118.95 114.22 3fe3 s ARG 271 Ca -0.05 1.59 -0.15 0.00 -0.13 0.00 0.00 55.73 56.99 3fe3 s ARG 271 Cb -0.01 -3.35 0.06 0.00 -1.56 0.00 0.00 34.95 30.09 3fe3 s ARG 271 CO -0.04 0.03 0.37 0.42 -0.81 0.00 0.00 175.30 175.27 3fe3 s ILE 272 N 0.30 5.23 0.71 4.11 -1.09 -1.26 -5.08 121.20 124.11 3fe3 s ILE 272 Ca 0.51 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.80 3fe3 s ILE 272 Cb -0.26 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 3fe3 s ILE 272 CO 0.31 -0.52 1.18 -2.84 -1.23 0.00 0.00 174.94 171.84 3fe3 s PRO 273 N 1.65 2.31 0.54 2.79 0.02 -1.26 -4.89 135.00 136.16 3fe3 s PRO 273 Ca 0.04 1.66 0.22 0.00 0.02 0.00 0.00 61.00 62.94 3fe3 s PRO 273 Cb -0.23 -1.87 1.49 0.00 0.02 0.00 0.00 34.50 33.91 3fe3 s PRO 273 CO 0.07 -1.68 2.17 0.27 -0.33 0.00 0.00 177.00 177.51 3fe3 h PHE 274 N -0.21 0.00 -0.00 6.54 -5.15 -2.03 -0.48 116.94 115.61 3fe3 h PHE 274 Ca -0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.30 3fe3 h PHE 274 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.45 3fe3 h PHE 274 CO 0.49 0.03 -0.16 2.48 -2.00 0.00 0.00 178.31 179.14 3fe3 n TYR 275 N -4.17 0.00 -2.62 6.09 0.18 -1.26 -4.83 117.16 110.55 3fe3 n TYR 275 Ca -0.03 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.33 3fe3 n TYR 275 Cb 0.11 -0.38 -0.03 0.00 -0.38 0.00 0.00 39.34 38.66 3fe3 n TYR 275 CO 0.00 0.00 0.00 1.41 -2.08 0.00 0.00 176.86 176.19 3fe3 s MET 276 N -2.93 4.52 0.82 -3.48 1.75 -0.19 -4.99 119.30 114.80 3fe3 s MET 276 Ca 0.15 1.54 -0.12 0.00 -1.25 0.00 0.00 55.69 56.01 3fe3 s MET 276 Cb 0.19 -3.42 0.09 0.00 2.84 0.00 0.00 34.83 34.52 3fe3 s MET 276 CO 0.57 -0.11 1.15 -1.54 -0.65 0.00 0.00 175.02 174.44 3fe3 s SER 277 N 1.00 3.75 0.35 1.11 1.04 -1.26 -4.85 113.70 114.85 3fe3 s SER 277 Ca 0.54 2.14 0.03 0.00 0.48 0.00 0.00 55.95 59.14 3fe3 s SER 277 Cb -0.24 -2.56 0.63 0.00 0.10 0.00 0.00 66.02 63.95 3fe3 s SER 277 CO 0.28 -2.55 1.96 0.74 0.98 0.00 0.00 173.24 174.66 3fe3 h THR 278 N -1.16 1.17 -0.15 2.02 2.02 -1.97 -1.94 112.91 112.90 3fe3 h THR 278 Ca -0.45 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.16 3fe3 h THR 278 Cb 1.27 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 3fe3 h THR 278 CO 0.47 0.19 -0.37 0.44 0.37 0.00 0.00 175.52 176.63 3fe3 h ASP 279 N 0.72 0.33 -0.33 4.18 3.32 -1.99 -0.25 116.42 122.40 3fe3 h ASP 279 Ca 0.18 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3fe3 h ASP 279 Cb 0.06 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3fe3 h ASP 279 CO -0.03 0.67 -0.25 0.00 -1.72 0.00 0.00 179.24 177.92 3fe3 h GLU 281 N 0.51 1.06 -0.42 0.00 4.81 -1.05 -0.47 114.58 119.01 3fe3 h GLU 281 Ca 0.06 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3fe3 h GLU 281 Cb 0.81 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 3fe3 h GLU 281 CO 0.07 0.70 -0.24 -0.91 -0.73 0.00 0.00 179.01 177.89 3fe3 h ASN 282 N 1.09 0.89 0.02 1.04 2.35 -0.89 -2.59 115.58 117.49 3fe3 h ASN 282 Ca 0.33 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3fe3 h ASN 282 Cb -0.04 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.09 3fe3 h ASN 282 CO -0.10 1.09 -0.01 0.25 -1.65 0.00 0.00 177.43 177.01 3fe3 h LEU 283 N 0.75 -0.02 -1.27 1.61 5.85 -0.61 -2.72 115.31 118.89 3fe3 h LEU 283 Ca 0.10 -0.06 0.33 0.00 0.84 0.00 0.00 57.88 59.09 3fe3 h LEU 283 Cb 0.79 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.70 3fe3 h LEU 283 CO 0.07 0.04 0.70 -0.07 -0.34 0.00 0.00 178.44 178.84 3fe3 h LEU 284 N -0.09 0.41 -2.24 2.25 3.38 -0.99 0.28 115.31 118.31 3fe3 h LEU 284 Ca -0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3fe3 h LEU 284 Cb 0.08 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3fe3 h LEU 284 CO 0.00 -0.05 -0.05 0.11 0.09 0.00 0.00 178.44 178.54 3fe3 h LYS 285 N 0.29 0.00 0.00 1.13 1.57 -1.13 0.16 116.57 118.58 3fe3 h LYS 285 Ca 0.70 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.35 3fe3 h LYS 285 Cb 1.87 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.17 3fe3 h LYS 285 CO -0.42 0.05 -0.64 0.00 -0.57 0.00 0.00 179.45 177.87 3fe3 h ARG 286 N 0.00 0.00 0.04 3.15 3.08 -0.44 -3.36 114.38 116.85 3fe3 h ARG 286 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.79 3fe3 h ARG 286 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3fe3 h ARG 286 CO 0.01 0.64 -1.41 0.74 -1.07 0.00 0.00 179.97 178.88 3fe3 h PHE 287 N 0.00 0.16 -1.66 3.04 0.04 -1.48 -1.19 116.94 115.85 3fe3 h PHE 287 Ca -0.01 -0.12 -0.77 0.00 2.80 0.00 0.00 57.97 59.88 3fe3 h PHE 287 Cb 1.43 -0.01 -0.18 0.00 2.20 0.00 0.00 35.95 39.39 3fe3 h PHE 287 CO 0.00 1.55 1.84 1.28 -0.60 0.00 0.00 178.31 182.38 3fe3 n LEU 288 N -4.17 7.31 -4.56 1.54 4.77 0.01 -4.22 117.00 117.68 3fe3 n LEU 288 Ca -0.31 -4.95 -0.34 0.00 -0.03 0.00 0.00 56.01 50.38 3fe3 n LEU 288 Cb 0.78 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.41 3fe3 n LEU 288 CO 0.27 1.81 -0.35 -0.69 -1.33 0.00 0.00 177.39 177.10 3fe3 s VAL 289 N -1.50 3.91 0.11 4.08 1.01 -1.26 -4.88 120.40 121.87 3fe3 s VAL 289 Ca 0.44 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3fe3 s VAL 289 Cb 0.14 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 3fe3 s VAL 289 CO -0.04 0.55 1.44 -0.07 0.00 0.00 0.00 175.10 176.98 3fe3 h LEU 290 N 5.94 0.78 -8.81 3.92 3.38 -1.96 -3.41 115.31 115.16 3fe3 h LEU 290 Ca -0.40 -0.45 -0.57 0.00 0.09 0.00 0.00 57.88 56.55 3fe3 h LEU 290 Cb 1.19 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 3fe3 h LEU 290 CO 0.58 1.07 1.06 0.21 0.09 0.00 0.00 178.44 181.45 3fe3 s ASN 291 N -6.55 6.37 0.52 -0.43 3.84 -1.26 -4.80 114.94 112.64 3fe3 s ASN 291 Ca -0.12 0.87 0.23 0.00 0.21 0.00 0.00 52.86 54.05 3fe3 s ASN 291 Cb 0.09 -2.54 1.41 0.00 -0.55 0.00 0.00 41.25 39.66 3fe3 s ASN 291 CO 0.83 -1.39 2.11 1.55 -2.79 0.00 0.00 177.10 177.41 3fe3 h PRO 292 N 10.55 0.00 -0.62 0.43 0.13 -1.98 0.26 132.00 140.77 3fe3 h PRO 292 Ca -0.27 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.81 3fe3 h PRO 292 Cb 1.10 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 3fe3 h PRO 292 CO 1.08 0.09 0.22 0.82 -0.23 0.00 0.00 178.00 179.98 3fe3 h ILE 293 N 0.00 1.23 -0.00 -3.56 2.04 -1.95 -2.52 117.51 112.74 3fe3 h ILE 293 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 3fe3 h ILE 293 Cb 0.19 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3fe3 h ILE 293 CO 0.01 0.29 -0.14 0.29 0.00 0.00 0.00 178.15 178.60 3fe3 n LYS 294 N -4.30 0.13 -1.99 2.37 4.76 0.04 -4.89 118.16 114.28 3fe3 n LYS 294 Ca 0.05 -0.03 -0.37 0.00 -2.87 0.00 0.00 58.31 55.09 3fe3 n LYS 294 Cb 0.19 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.91 3fe3 n LYS 294 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3fe3 s ARG 295 N -2.89 3.25 0.62 1.97 3.52 -0.94 -5.00 118.95 119.49 3fe3 s ARG 295 Ca 0.16 1.97 -0.14 0.00 -0.13 0.00 0.00 55.73 57.59 3fe3 s ARG 295 Cb 0.19 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.37 3fe3 s ARG 295 CO 0.56 -1.02 1.06 0.20 -0.81 0.00 0.00 175.30 175.29 3fe3 s GLY 296 N -1.29 2.01 0.35 8.12 0.00 -0.45 -5.06 107.32 111.00 3fe3 s GLY 296 Ca 0.71 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.76 3fe3 s GLY 296 CO 0.39 0.64 0.56 -0.51 0.00 0.00 0.00 173.10 174.18 3fe3 s THR 297 N -2.60 5.10 0.37 0.90 -4.23 -1.26 -4.92 115.64 108.99 3fe3 s THR 297 Ca 0.62 -0.44 0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3fe3 s THR 297 Cb -0.16 -3.86 0.15 0.00 1.34 0.00 0.00 72.50 69.97 3fe3 s THR 297 CO 0.42 -0.57 1.89 -0.07 -0.54 0.00 0.00 174.62 175.75 3fe3 h LEU 298 N 0.73 0.25 -0.64 4.79 3.38 -1.97 0.12 115.31 121.98 3fe3 h LEU 298 Ca -0.50 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.27 3fe3 h LEU 298 Cb 1.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3fe3 h LEU 298 CO 0.61 0.43 -0.49 -0.08 0.09 0.00 0.00 178.44 179.00 3fe3 h GLU 299 N 0.25 0.48 -0.26 1.13 4.81 -1.98 -1.36 114.58 117.67 3fe3 h GLU 299 Ca 0.05 -0.28 -0.18 0.00 -0.13 0.00 0.00 59.36 58.83 3fe3 h GLU 299 Cb 0.42 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.82 3fe3 h GLU 299 CO 0.03 0.87 -0.53 1.96 -0.73 0.00 0.00 179.01 180.60 3fe3 h GLN 300 N 0.38 0.81 0.00 1.92 4.20 -1.84 -3.27 115.11 117.31 3fe3 h GLN 300 Ca 0.02 -0.53 -0.01 0.00 0.06 0.00 0.00 58.65 58.18 3fe3 h GLN 300 Cb 1.00 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.84 3fe3 h GLN 300 CO 0.09 1.16 -0.07 0.82 -0.67 0.00 0.00 178.83 180.16 3fe3 h ILE 301 N 0.57 0.21 0.00 2.54 2.04 -0.59 -1.54 117.51 120.74 3fe3 h ILE 301 Ca 0.01 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3fe3 h ILE 301 Cb 1.14 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3fe3 h ILE 301 CO 0.12 0.07 0.00 0.24 0.00 0.00 0.00 178.15 178.58 3fe3 h MET 302 N 0.00 0.00 -0.12 2.37 2.86 -1.30 -2.00 114.93 116.73 3fe3 h MET 302 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3fe3 h MET 302 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 3fe3 h MET 302 CO 0.01 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.61 3fe3 n LYS 303 N -2.71 1.72 -1.98 1.72 5.02 -0.58 -4.36 118.16 116.99 3fe3 n LYS 303 Ca -0.00 -1.07 -0.39 0.00 -2.02 0.00 0.00 58.31 54.83 3fe3 n LYS 303 Cb 0.17 -1.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.77 3fe3 n LYS 303 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fe3 s ASP 304 N -1.69 5.85 0.15 4.39 2.15 -0.76 -4.92 116.67 121.84 3fe3 s ASP 304 Ca 0.34 2.64 -0.22 0.00 0.43 0.00 0.00 52.55 55.74 3fe3 s ASP 304 Cb 0.19 -2.63 0.03 0.00 -0.30 0.00 0.00 42.92 40.21 3fe3 s ASP 304 CO 0.28 -1.16 1.63 -0.09 -0.17 0.00 0.00 175.17 175.66 3fe3 h ARG 305 N 2.05 -0.24 -0.56 4.34 2.43 -1.93 -2.89 114.38 117.57 3fe3 h ARG 305 Ca -0.50 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.68 3fe3 h ARG 305 Cb 1.27 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 3fe3 h ARG 305 CO 0.60 -0.16 0.32 2.35 -1.51 0.00 0.00 179.97 181.57 3fe3 h TRP 306 N -0.25 0.76 -0.41 2.20 7.01 -1.92 -1.74 115.95 121.59 3fe3 h TRP 306 Ca 0.14 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.20 3fe3 h TRP 306 Cb 0.47 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.26 3fe3 h TRP 306 CO -0.41 0.54 0.28 0.82 -2.79 0.00 0.00 178.44 176.88 3fe3 h ILE 307 N 0.75 0.92 -0.32 2.65 1.08 -1.87 -2.78 117.51 117.94 3fe3 h ILE 307 Ca 0.20 -0.08 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 3fe3 h ILE 307 Cb 0.02 0.65 0.00 0.00 -3.07 0.00 0.00 36.82 34.42 3fe3 h ILE 307 CO -0.03 0.04 0.00 0.59 -0.69 0.00 0.00 178.15 178.06 3fe3 n ASN 308 N -4.47 2.85 -4.64 1.72 3.02 -0.93 -4.91 115.26 107.90 3fe3 n ASN 308 Ca 0.06 -1.90 -0.47 0.00 -0.03 0.00 0.00 54.58 52.23 3fe3 n ASN 308 Cb 0.31 -0.21 -0.04 0.00 -0.61 0.00 0.00 39.78 39.22 3fe3 n ASN 308 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fe3 n ALA 309 N 0.67 0.63 -0.91 5.41 0.00 -0.70 0.29 120.51 125.89 3fe3 n ALA 309 Ca 0.12 0.46 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3fe3 n ALA 309 Cb 0.42 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3fe3 n ALA 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fe3 n GLY 310 N 2.93 0.73 1.28 0.00 0.00 -1.26 -4.83 105.19 104.04 3fe3 n GLY 310 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.15 3fe3 n GLY 310 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3fe3 n HIS 311 N -2.12 0.86 -0.29 1.61 -0.00 0.15 -4.83 115.22 110.59 3fe3 n HIS 311 Ca 0.00 -1.61 0.22 0.00 -0.00 0.00 0.00 57.72 56.33 3fe3 n HIS 311 Cb 0.02 -0.26 0.42 0.00 -0.00 0.00 0.00 29.99 30.16 3fe3 n HIS 311 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3fe3 n GLU 312 N -0.75 -0.06 -0.35 -0.41 4.71 -1.22 -0.04 120.64 122.52 3fe3 n GLU 312 Ca 0.23 1.25 0.09 0.00 -0.01 0.00 0.00 57.16 58.72 3fe3 n GLU 312 Cb 0.84 -2.14 0.26 0.00 -1.01 0.00 0.00 31.44 29.39 3fe3 n GLU 312 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 3fe3 n GLU 313 N -5.10 2.97 -2.71 3.49 4.07 -1.26 -4.61 120.64 117.50 3fe3 n GLU 313 Ca 0.28 -2.49 -0.06 0.00 -0.06 0.00 0.00 57.16 54.83 3fe3 n GLU 313 Cb 0.96 -1.53 0.07 0.00 -0.06 0.00 0.00 31.44 30.87 3fe3 n GLU 313 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 3fe3 n ASP 314 N 1.03 0.28 -4.66 4.31 2.03 0.94 -5.13 116.55 115.34 3fe3 n ASP 314 Ca 0.20 -2.45 -0.43 0.00 0.52 0.00 0.00 54.79 52.62 3fe3 n ASP 314 Cb 0.61 0.01 -0.01 0.00 -0.72 0.00 0.00 41.12 41.01 3fe3 n ASP 314 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 3fe3 n GLU 315 N -0.48 1.90 -2.05 -0.67 2.13 -1.14 -4.90 120.64 115.44 3fe3 n GLU 315 Ca 0.02 0.67 -0.42 0.00 0.66 0.00 0.00 57.16 58.09 3fe3 n GLU 315 Cb 0.83 -2.21 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 3fe3 n GLU 315 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3fe3 s LEU 316 N -0.46 4.37 0.22 4.31 2.96 -1.26 -5.03 118.68 123.79 3fe3 s LEU 316 Ca 0.58 2.46 -0.03 0.00 -0.22 0.00 0.00 54.13 56.92 3fe3 s LEU 316 Cb -0.62 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.45 3fe3 s LEU 316 CO 0.60 -0.75 0.23 -1.59 -1.32 0.00 0.00 176.35 173.52 3fe3 s LYS 317 N 1.30 1.33 0.17 1.98 -2.85 -1.26 -4.62 119.74 115.80 3fe3 s LYS 317 Ca 0.68 -1.57 -0.33 0.00 -1.00 0.00 0.00 55.97 53.75 3fe3 s LYS 317 Cb -0.40 0.32 -0.16 0.00 -2.06 0.00 0.00 37.83 35.54 3fe3 s LYS 317 CO 0.31 -0.47 1.20 -2.30 0.10 0.00 0.00 175.35 174.18 3fe3 n PRO 318 N -0.32 1.23 -2.05 1.78 -0.02 -1.26 -4.89 135.00 129.47 3fe3 n PRO 318 Ca 0.01 0.44 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 3fe3 n PRO 318 Cb 0.65 -1.96 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 3fe3 n PRO 318 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3fe3 s PHE 319 N -0.12 2.78 -0.13 6.00 5.36 -1.26 -5.03 117.98 125.58 3fe3 s PHE 319 Ca 0.74 1.42 0.02 0.00 -0.96 0.00 0.00 56.93 58.14 3fe3 s PHE 319 Cb -0.85 -3.65 0.02 0.00 -0.34 0.00 0.00 43.02 38.20 3fe3 s PHE 319 CO 0.51 -2.10 -0.17 0.08 -1.46 0.00 0.00 175.22 172.08 3fe3 s VAL 320 N -1.29 1.69 0.28 3.12 1.01 -1.26 -4.98 120.40 118.97 3fe3 s VAL 320 Ca 0.59 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 3fe3 s VAL 320 Cb -0.37 -1.54 -0.10 0.00 0.00 0.00 0.00 36.38 34.36 3fe3 s VAL 320 CO 0.47 0.48 1.43 -1.61 0.00 0.00 0.00 175.10 175.87 3fe3 s GLU 321 N 1.08 4.26 0.80 2.72 2.02 -1.26 -4.97 118.70 123.35 3fe3 s GLU 321 Ca -0.03 2.33 -0.12 0.00 0.02 0.00 0.00 54.97 57.16 3fe3 s GLU 321 Cb -0.14 -3.08 0.08 0.00 0.10 0.00 0.00 34.13 31.08 3fe3 s GLU 321 CO -0.04 -0.40 1.15 -1.25 0.02 0.00 0.00 175.26 174.74 3fe3 s PRO 322 N -0.83 1.79 0.15 0.39 0.04 -1.26 -4.94 135.00 130.34 3fe3 s PRO 322 Ca 0.57 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 3fe3 s PRO 322 Cb -0.42 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3fe3 s PRO 322 CO 0.47 -2.05 1.47 -1.21 0.04 0.00 0.00 177.00 175.73 3fe3 s GLU 323 N -4.42 4.27 -0.25 4.56 8.01 -1.26 -4.93 118.70 124.69 3fe3 s GLU 323 Ca 0.68 2.22 -0.29 0.00 0.01 0.00 0.00 54.97 57.59 3fe3 s GLU 323 Cb -0.23 -3.19 -0.02 0.00 -4.31 0.00 0.00 34.13 26.38 3fe3 s GLU 323 CO 0.52 -0.51 1.49 -1.17 0.01 0.00 0.00 175.26 175.60 3fe3 s LEU 324 N 1.01 3.90 -0.61 1.80 2.96 -1.26 -4.94 118.68 121.53 3fe3 s LEU 324 Ca 0.67 1.46 -0.27 0.00 -0.22 0.00 0.00 54.13 55.77 3fe3 s LEU 324 Cb -0.40 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 42.79 3fe3 s LEU 324 CO 0.32 -1.18 1.13 -0.62 -1.32 0.00 0.00 176.35 174.68 3fe3 s ASP 325 N 3.63 6.34 -0.20 3.68 2.15 -1.26 -4.83 116.67 126.18 3fe3 s ASP 325 Ca 0.65 -0.20 0.15 0.00 0.43 0.00 0.00 52.55 53.59 3fe3 s ASP 325 Cb -0.22 -2.52 0.76 0.00 -0.30 0.00 0.00 42.92 40.65 3fe3 s ASP 325 CO 0.27 -1.49 1.68 2.30 -0.17 0.00 0.00 175.17 177.75 3fe3 n ILE 326 N 6.44 2.45 -2.49 4.11 -5.35 -1.26 -4.53 119.36 118.73 3fe3 n ILE 326 Ca 0.05 -1.40 -0.02 0.00 -0.27 0.00 0.00 62.75 61.11 3fe3 n ILE 326 Cb 0.48 -0.15 0.05 0.00 -1.74 0.00 0.00 39.64 38.28 3fe3 n ILE 326 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3fe3 n SER 327 N 0.64 1.97 -4.59 7.28 3.41 -1.26 -4.98 113.62 116.09 3fe3 n SER 327 Ca 0.26 -2.48 -0.43 0.00 -0.26 0.00 0.00 58.87 55.97 3fe3 n SER 327 Cb 1.08 -0.41 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 3fe3 n SER 327 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fe3 s ASP 328 N -3.22 6.58 0.34 4.04 2.15 -1.26 -4.92 116.67 120.38 3fe3 s ASP 328 Ca 0.34 0.34 0.16 0.00 0.43 0.00 0.00 52.55 53.82 3fe3 s ASP 328 Cb 0.36 -2.53 0.55 0.00 -0.30 0.00 0.00 42.92 41.00 3fe3 s ASP 328 CO -0.07 -1.26 1.69 -0.61 -0.17 0.00 0.00 175.17 174.75 3fe3 h GLN 329 N 9.26 0.00 -0.83 4.34 5.75 -1.98 -1.14 115.11 130.51 3fe3 h GLN 329 Ca -0.23 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.27 3fe3 h GLN 329 Cb 1.06 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.57 3fe3 h GLN 329 CO 1.12 0.47 0.55 0.87 -2.65 0.00 0.00 178.83 179.19 3fe3 h LYS 330 N 0.00 1.09 0.12 1.69 1.57 -2.00 -0.40 116.57 118.65 3fe3 h LYS 330 Ca -0.00 -0.07 -0.27 0.00 -1.87 0.00 0.00 60.65 58.44 3fe3 h LYS 330 Cb 0.97 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 33.04 3fe3 h LYS 330 CO 0.06 0.72 -1.23 0.00 -0.57 0.00 0.00 179.45 178.44 3fe3 h ARG 331 N 1.13 0.32 -0.68 3.15 3.08 -1.88 -2.98 114.38 116.51 3fe3 h ARG 331 Ca 0.31 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.85 3fe3 h ARG 331 Cb -0.13 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 3fe3 h ARG 331 CO -0.07 1.23 0.44 0.82 -1.07 0.00 0.00 179.97 181.32 3fe3 h ILE 332 N 0.10 1.18 -0.79 2.04 2.04 -1.09 -0.98 117.51 120.02 3fe3 h ILE 332 Ca -0.14 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3fe3 h ILE 332 Cb 1.94 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 38.19 3fe3 h ILE 332 CO 0.21 0.18 0.47 0.44 0.00 0.00 0.00 178.15 179.44 3fe3 h ASP 333 N 0.92 0.96 0.00 1.72 3.32 -1.09 0.29 116.42 122.54 3fe3 h ASP 333 Ca 0.25 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3fe3 h ASP 333 Cb -0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3fe3 h ASP 333 CO -0.05 0.75 -0.07 0.40 -1.72 0.00 0.00 179.24 178.55 3fe3 h ILE 334 N 1.09 0.81 -0.80 0.35 2.04 -1.30 -1.41 117.51 118.30 3fe3 h ILE 334 Ca 0.28 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.19 3fe3 h ILE 334 Cb -0.02 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 3fe3 h ILE 334 CO -0.05 0.00 0.52 0.24 0.00 0.00 0.00 178.15 178.86 3fe3 h MET 335 N -0.13 0.89 -0.84 2.37 2.86 -0.58 -0.66 114.93 118.85 3fe3 h MET 335 Ca 0.03 -0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3fe3 h MET 335 Cb 0.16 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3fe3 h MET 335 CO -0.07 0.59 0.55 0.28 1.06 0.00 0.00 176.91 179.31 3fe3 h VAL 336 N 0.92 1.22 0.00 -2.22 2.07 -0.72 -1.21 116.25 116.31 3fe3 h VAL 336 Ca 0.33 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 3fe3 h VAL 336 Cb 0.14 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.91 3fe3 h VAL 336 CO -0.11 0.22 -0.02 1.23 0.02 0.00 0.00 177.57 178.91 3fe3 h GLY 337 N 1.14 0.00 1.87 2.17 0.00 -0.03 -1.30 103.07 106.93 3fe3 h GLY 337 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3fe3 h GLY 337 CO -0.06 0.00 -0.08 1.03 0.00 0.00 0.00 176.54 177.43 3fe3 n MET 338 N -4.08 0.09 0.00 4.80 2.81 -0.48 -4.93 117.12 115.34 3fe3 n MET 338 Ca -0.03 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 3fe3 n MET 338 Cb 0.11 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.02 3fe3 n MET 338 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fe3 n GLY 339 N 1.43 1.03 3.78 3.03 0.00 -0.49 -5.10 105.19 108.87 3fe3 n GLY 339 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3fe3 n GLY 339 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fe3 s TYR 340 N -2.00 3.01 0.36 1.61 2.02 -1.11 -5.02 117.35 116.23 3fe3 s TYR 340 Ca 0.00 1.58 -0.06 0.00 -0.37 0.00 0.00 57.07 58.22 3fe3 s TYR 340 Cb 0.00 -3.23 -0.05 0.00 -0.40 0.00 0.00 41.96 38.28 3fe3 s TYR 340 CO 0.00 -1.10 0.65 -1.54 -1.57 0.00 0.00 175.55 171.99 3fe3 s SER 341 N -1.57 6.41 0.24 2.29 1.04 -1.26 -4.19 113.70 116.65 3fe3 s SER 341 Ca 0.63 0.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.76 3fe3 s SER 341 Cb -0.24 -2.19 0.32 0.00 0.10 0.00 0.00 66.02 64.01 3fe3 s SER 341 CO 0.29 -0.33 1.59 1.56 0.98 0.00 0.00 173.24 177.34 3fe3 h GLN 342 N 1.20 -0.01 -0.39 4.02 1.08 -1.96 -0.05 115.11 118.99 3fe3 h GLN 342 Ca -0.48 0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 56.60 3fe3 h GLN 342 Cb 1.20 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 3fe3 h GLN 342 CO 0.64 -0.01 -0.26 0.93 -0.95 0.00 0.00 178.83 179.19 3fe3 h GLU 343 N -0.01 0.87 -0.94 1.46 3.07 -1.99 -1.65 114.58 115.38 3fe3 h GLU 343 Ca 0.37 -0.41 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 3fe3 h GLU 343 Cb 0.59 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.44 3fe3 h GLU 343 CO -0.83 1.05 0.60 0.93 -1.40 0.00 0.00 179.01 179.36 3fe3 h GLU 344 N 0.68 1.25 -0.31 2.33 5.08 -1.58 -1.69 114.58 120.33 3fe3 h GLU 344 Ca 0.08 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3fe3 h GLU 344 Cb 0.83 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3fe3 h GLU 344 CO 0.07 0.85 0.04 0.82 -1.00 0.00 0.00 179.01 179.79 3fe3 h ILE 345 N 1.28 1.24 -0.47 3.13 2.04 -0.75 -1.56 117.51 122.42 3fe3 h ILE 345 Ca 0.34 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.23 3fe3 h ILE 345 Cb -0.11 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3fe3 h ILE 345 CO -0.07 0.27 -0.21 -0.61 0.00 0.00 0.00 178.15 177.53 3fe3 h GLN 346 N 0.34 0.95 -0.64 2.37 5.75 -1.18 -1.33 115.11 121.36 3fe3 h GLN 346 Ca 0.09 -0.40 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 3fe3 h GLN 346 Cb 0.36 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3fe3 h GLN 346 CO 0.01 1.06 0.09 1.49 -2.65 0.00 0.00 178.83 178.83 3fe3 h GLU 347 N 0.82 1.07 -0.16 1.69 4.81 -1.21 0.84 114.58 122.44 3fe3 h GLU 347 Ca 0.11 -0.30 -0.19 0.00 -0.13 0.00 0.00 59.36 58.86 3fe3 h GLU 347 Cb 0.77 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 3fe3 h GLU 347 CO 0.06 1.00 -0.65 0.77 -0.73 0.00 0.00 179.01 179.46 3fe3 h SER 348 N 0.99 0.71 -0.17 1.04 0.02 -1.03 -2.00 113.55 113.11 3fe3 h SER 348 Ca 0.19 -0.42 -0.07 0.00 -0.84 0.00 0.00 61.79 60.65 3fe3 h SER 348 Cb 0.46 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.79 3fe3 h SER 348 CO 0.02 1.18 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.63 3fe3 h LEU 349 N 0.45 0.45 -0.83 5.07 3.38 -1.20 -0.98 115.31 121.64 3fe3 h LEU 349 Ca -0.02 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.34 3fe3 h LEU 349 Cb 1.23 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3fe3 h LEU 349 CO 0.13 0.85 -0.52 0.77 0.09 0.00 0.00 178.44 179.76 3fe3 h SER 350 N 0.06 0.18 -0.03 -0.43 4.64 -0.81 -2.03 113.55 115.13 3fe3 h SER 350 Ca 0.02 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3fe3 h SER 350 Cb 0.73 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 3fe3 h SER 350 CO 0.04 0.67 0.00 0.29 -0.87 0.00 0.00 176.83 176.96 3fe3 n LYS 351 N -3.94 1.72 -3.76 4.77 5.02 -0.76 -4.96 118.16 116.26 3fe3 n LYS 351 Ca -0.02 -1.05 -0.27 0.00 -2.02 0.00 0.00 58.31 54.96 3fe3 n LYS 351 Cb 0.55 -1.47 0.01 0.00 -0.02 0.00 0.00 35.03 34.09 3fe3 n LYS 351 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 3fe3 n MET 352 N 0.27 -1.23 0.05 1.97 0.00 -0.47 -4.87 117.12 112.84 3fe3 n MET 352 Ca 0.18 0.67 0.13 0.00 -0.00 0.00 0.00 57.70 58.69 3fe3 n MET 352 Cb 0.37 -2.89 0.50 0.00 0.00 0.00 0.00 33.22 31.20 3fe3 n MET 352 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3fe3 n LYS 353 N -3.17 0.10 -3.89 2.12 5.02 -0.61 -4.94 118.16 112.80 3fe3 n LYS 353 Ca -0.22 0.13 -0.25 0.00 -2.02 0.00 0.00 58.31 55.95 3fe3 n LYS 353 Cb 0.64 -1.63 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3fe3 n LYS 353 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3fe3 n TYR 354 N -1.82 -1.80 -3.37 2.13 4.02 -1.26 -4.86 117.16 110.20 3fe3 n TYR 354 Ca 0.06 0.80 0.00 0.00 -0.01 0.00 0.00 57.90 58.74 3fe3 n TYR 354 Cb 0.34 -3.91 0.00 0.00 -0.02 0.00 0.00 39.34 35.75 3fe3 n TYR 354 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 3fe3 n ASP 355 N -2.97 1.54 -0.34 7.72 5.68 -1.26 -1.80 116.55 125.12 3fe3 n ASP 355 Ca -0.25 -0.60 0.10 0.00 -0.50 0.00 0.00 54.79 53.55 3fe3 n ASP 355 Cb 0.65 0.00 0.28 0.00 -1.14 0.00 0.00 41.12 40.91 3fe3 n ASP 355 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3fe3 h GLU 356 N 0.00 0.78 0.08 0.11 5.08 -1.93 -2.40 114.58 116.29 3fe3 h GLU 356 Ca 0.00 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fe3 h GLU 356 Cb 0.00 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3fe3 h GLU 356 CO 0.00 0.51 -0.04 0.82 -1.00 0.00 0.00 179.01 179.31 3fe3 h ILE 357 N 0.80 1.10 -0.64 3.13 2.04 -1.98 -2.33 117.51 119.62 3fe3 h ILE 357 Ca 0.54 -1.45 -0.01 0.00 1.00 0.00 0.00 64.86 64.94 3fe3 h ILE 357 Cb 0.74 1.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 3fe3 h ILE 357 CO -0.35 0.31 0.38 0.71 0.00 0.00 0.00 178.15 179.20 3fe3 h THR 358 N -0.86 1.18 -0.47 -0.27 1.35 -1.85 -0.93 112.91 111.06 3fe3 h THR 358 Ca -0.01 -0.42 -0.05 0.00 -0.55 0.00 0.00 66.41 65.37 3fe3 h THR 358 Cb 0.60 0.29 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 3fe3 h THR 358 CO 0.02 0.20 0.09 0.00 -0.25 0.00 0.00 175.52 175.58 3fe3 h ALA 359 N 1.53 0.62 -0.70 6.62 0.00 -1.52 -0.69 119.26 125.13 3fe3 h ALA 359 Ca 0.23 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3fe3 h ALA 359 Cb -0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3fe3 h ALA 359 CO -0.04 0.33 0.37 1.15 0.00 0.00 0.00 179.25 181.07 3fe3 h THR 360 N 0.64 1.22 -0.23 0.00 2.02 -1.14 0.01 112.91 115.44 3fe3 h THR 360 Ca 0.15 -0.56 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 3fe3 h THR 360 Cb 0.36 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3fe3 h THR 360 CO 0.01 0.24 0.12 0.22 0.37 0.00 0.00 175.52 176.48 3fe3 h TYR 361 N 0.96 0.32 -0.58 3.16 5.03 -0.92 0.31 116.97 125.25 3fe3 h TYR 361 Ca 0.24 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.56 3fe3 h TYR 361 Cb 0.05 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.20 3fe3 h TYR 361 CO -0.00 0.30 0.37 -0.07 -1.32 0.00 0.00 178.16 177.44 3fe3 h LEU 362 N 0.24 0.63 -0.72 2.82 3.38 -0.86 -2.91 115.31 117.90 3fe3 h LEU 362 Ca 0.08 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 3fe3 h LEU 362 Cb 0.10 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3fe3 h LEU 362 CO -0.01 0.45 -0.45 -0.07 0.09 0.00 0.00 178.44 178.45 3fe3 h LEU 363 N 0.75 0.00 -1.51 1.67 3.38 -0.70 -0.73 115.31 118.18 3fe3 h LEU 363 Ca 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 3fe3 h LEU 363 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3fe3 h LEU 363 CO -0.07 0.45 -0.02 -0.07 0.09 0.00 0.00 178.44 178.82 3fe3 h LEU 364 N 0.00 0.00 -0.26 1.67 3.38 -0.80 -3.01 115.31 116.28 3fe3 h LEU 364 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fe3 h LEU 364 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3fe3 h LEU 364 CO 0.06 0.02 -0.42 0.61 0.09 0.00 0.00 178.44 178.80 3fe3 n GLY 365 N -0.02 -0.89 0.05 0.83 0.00 -0.29 -5.09 105.19 99.78 3fe3 n GLY 365 Ca 0.00 -0.40 0.16 0.00 0.00 0.00 0.00 46.02 45.78 3fe3 n GLY 365 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86