#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oi8 s GLU 27 N 0.00 4.47 0.27 -3.48 2.12 -1.26 -5.04 118.70 115.78 1oi8 s GLU 27 Ca 0.00 1.02 -0.30 0.00 0.36 0.00 0.00 54.97 56.05 1oi8 s GLU 27 Cb 0.00 -3.42 -0.10 0.00 0.26 0.00 0.00 34.13 30.87 1oi8 s GLU 27 CO 0.00 0.12 1.39 -1.14 -0.54 0.00 0.00 175.26 175.09 1oi8 s GLN 28 N 0.56 4.30 0.00 4.30 2.00 -1.26 -2.81 119.66 126.75 1oi8 s GLN 28 Ca 0.40 2.27 0.00 0.00 -2.00 0.00 0.00 55.36 56.02 1oi8 s GLN 28 Cb -0.19 -3.10 0.00 0.00 0.80 0.00 0.00 33.01 30.52 1oi8 s GLN 28 CO 0.21 -0.34 0.00 -0.25 -0.50 0.00 0.00 175.29 174.41 1oi8 n ASP 29 N 1.82 -1.00 -4.77 6.67 8.00 -1.26 -4.99 116.55 121.02 1oi8 n ASP 29 Ca 0.04 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.15 1oi8 n ASP 29 Cb 0.41 -2.20 -0.06 0.00 -0.02 0.00 0.00 41.12 39.24 1oi8 n ASP 29 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1oi8 s LYS 30 N -0.96 4.58 -0.34 -1.24 2.20 -1.12 -4.97 119.74 117.89 1oi8 s LYS 30 Ca 0.00 1.18 -0.14 0.00 -0.36 0.00 0.00 55.97 56.64 1oi8 s LYS 30 Cb 0.00 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 33.04 1oi8 s LYS 30 CO 0.00 0.56 0.31 0.99 -0.36 0.00 0.00 175.35 176.85 1oi8 s THR 31 N -1.12 5.22 -0.05 3.43 2.01 -1.26 -4.38 115.64 119.49 1oi8 s THR 31 Ca 0.36 -0.07 -0.14 0.00 0.31 0.00 0.00 61.69 62.15 1oi8 s THR 31 Cb -0.23 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 1oi8 s THR 31 CO 0.27 -0.06 0.36 -0.31 -0.69 0.00 0.00 174.62 174.19 1oi8 s TYR 32 N 1.89 3.65 -0.24 4.92 1.51 -0.18 -4.94 117.35 123.97 1oi8 s TYR 32 Ca 0.09 0.87 -0.14 0.00 -1.01 0.00 0.00 57.07 56.88 1oi8 s TYR 32 Cb -0.17 -2.28 -0.04 0.00 -0.11 0.00 0.00 41.96 39.36 1oi8 s TYR 32 CO 0.11 0.55 0.34 0.15 -1.11 0.00 0.00 175.55 175.59 1oi8 s LYS 33 N -0.67 4.09 -0.07 -0.62 1.02 -1.26 -1.16 119.74 121.08 1oi8 s LYS 33 Ca 0.22 0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.26 1oi8 s LYS 33 Cb -0.15 -3.59 0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1oi8 s LYS 33 CO 0.10 -0.11 -0.07 0.42 -0.92 0.00 0.00 175.35 174.77 1oi8 s ILE 34 N 1.56 0.80 -0.17 2.17 1.01 0.25 -1.80 121.20 125.02 1oi8 s ILE 34 Ca 0.15 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1oi8 s ILE 34 Cb -0.15 -0.81 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 1oi8 s ILE 34 CO 0.08 0.30 -0.08 -0.89 0.00 0.00 0.00 174.94 174.35 1oi8 s THR 35 N 1.16 3.30 -0.25 2.92 2.01 0.10 0.38 115.64 125.26 1oi8 s THR 35 Ca -0.06 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.33 1oi8 s THR 35 Cb -0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 1oi8 s THR 35 CO -0.01 0.48 0.04 -0.69 -0.69 0.00 0.00 174.62 173.74 1oi8 s VAL 36 N 0.86 3.98 0.00 3.82 1.01 0.73 -1.22 120.40 129.59 1oi8 s VAL 36 Ca -0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1oi8 s VAL 36 Cb -0.15 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1oi8 s VAL 36 CO 0.01 0.33 0.18 -0.76 0.00 0.00 0.00 175.10 174.86 1oi8 s LEU 37 N 1.56 4.33 0.09 3.92 1.43 0.04 -0.40 118.68 129.66 1oi8 s LEU 37 Ca 0.06 0.32 -0.18 0.00 -1.03 0.00 0.00 54.13 53.29 1oi8 s LEU 37 Cb -0.15 -2.65 0.04 0.00 0.03 0.00 0.00 46.19 43.45 1oi8 s LEU 37 CO 0.01 0.25 0.43 -1.38 0.23 0.00 0.00 176.35 175.89 1oi8 s HIS 38 N -1.35 -0.28 0.32 0.29 -3.43 -0.15 -0.89 115.29 109.81 1oi8 s HIS 38 Ca 0.28 0.12 0.02 0.00 -0.80 0.00 0.00 55.06 54.68 1oi8 s HIS 38 Cb -0.13 0.27 -0.02 0.00 -1.43 0.00 0.00 32.58 31.28 1oi8 s HIS 38 CO 0.20 -0.66 0.36 0.95 -2.00 0.00 0.00 174.74 173.60 1oi8 s THR 39 N -3.13 0.00 -0.09 -5.38 -4.23 -0.93 -0.72 115.64 101.17 1oi8 s THR 39 Ca -0.01 -1.80 -0.32 0.00 -1.18 0.00 0.00 61.69 58.38 1oi8 s THR 39 Cb 0.00 -2.56 0.12 0.00 1.34 0.00 0.00 72.50 71.40 1oi8 s THR 39 CO -0.07 0.00 1.05 0.54 -0.54 0.00 0.00 174.62 175.60 1oi8 s ASN 40 N -3.29 -0.24 -1.47 3.99 4.22 -1.26 -1.09 114.94 115.80 1oi8 s ASN 40 Ca 0.35 -0.01 -0.05 0.00 -2.14 0.00 0.00 52.86 51.01 1oi8 s ASN 40 Cb 0.01 0.27 0.04 0.00 1.28 0.00 0.00 41.25 42.85 1oi8 s ASN 40 CO 0.23 -0.43 0.54 0.47 -2.04 0.00 0.00 177.10 175.86 1oi8 n ASP 41 N -0.18 -1.24 -0.32 3.54 8.00 0.17 -3.73 116.55 122.79 1oi8 n ASP 41 Ca -0.04 -0.99 0.10 0.00 0.71 0.00 0.00 54.79 54.57 1oi8 n ASP 41 Cb 0.60 -3.09 0.32 0.00 -0.02 0.00 0.00 41.12 38.93 1oi8 n ASP 41 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1oi8 h HIS 42 N -1.79 0.98 -6.99 1.24 -0.00 -1.53 -1.17 115.15 105.89 1oi8 h HIS 42 Ca -0.62 0.03 -0.60 0.00 -0.00 0.00 0.00 60.37 59.18 1oi8 h HIS 42 Cb 1.38 -0.31 -0.17 0.00 -0.00 0.00 0.00 27.41 28.31 1oi8 h HIS 42 CO 0.52 0.36 -0.96 0.72 -0.00 0.00 0.00 177.93 178.57 1oi8 n HIS 43 N -4.60 -1.33 -0.99 5.26 8.25 -0.18 -2.56 115.22 119.07 1oi8 n HIS 43 Ca 0.18 0.57 0.00 0.00 -0.26 0.00 0.00 57.72 58.22 1oi8 n HIS 43 Cb 0.43 -2.93 0.00 0.00 1.12 0.00 0.00 29.99 28.61 1oi8 n HIS 43 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1oi8 n GLY 44 N -2.45 0.54 2.46 -1.41 0.00 -0.29 -3.44 105.19 100.59 1oi8 n GLY 44 Ca -0.30 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1oi8 n GLY 44 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1oi8 n HIS 45 N -2.92 1.68 0.23 1.61 8.25 -1.06 -4.54 115.22 118.47 1oi8 n HIS 45 Ca 0.00 -2.08 0.06 0.00 -0.26 0.00 0.00 57.72 55.44 1oi8 n HIS 45 Cb 0.00 -1.49 0.53 0.00 1.12 0.00 0.00 29.99 30.15 1oi8 n HIS 45 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1oi8 h PHE 46 N 3.31 0.00 -2.55 4.41 -5.15 -1.92 -3.37 116.94 111.66 1oi8 h PHE 46 Ca 0.44 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.67 1oi8 h PHE 46 Cb 0.69 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 36.82 1oi8 h PHE 46 CO 1.52 0.19 -0.50 -0.46 -2.00 0.00 0.00 178.31 177.05 1oi8 s TRP 47 N -4.54 3.35 0.76 6.09 -0.11 -1.26 -1.83 118.94 121.39 1oi8 s TRP 47 Ca -0.04 0.05 -0.14 0.00 1.22 0.00 0.00 56.10 57.19 1oi8 s TRP 47 Cb 0.15 -1.59 0.05 0.00 -1.50 0.00 0.00 33.47 30.58 1oi8 s TRP 47 CO 0.68 0.51 1.17 -0.98 -4.62 0.00 0.00 176.95 173.72 1oi8 s ARG 48 N -3.29 2.03 0.47 5.86 1.70 -1.26 -3.88 118.95 120.59 1oi8 s ARG 48 Ca 0.33 1.63 -0.06 0.00 -0.47 0.00 0.00 55.73 57.16 1oi8 s ARG 48 Cb -0.10 -1.83 0.10 0.00 -0.57 0.00 0.00 34.95 32.55 1oi8 s ARG 48 CO 0.27 -1.89 0.64 0.27 -1.08 0.00 0.00 175.30 173.51 1oi8 n ASN 49 N -3.01 0.30 0.14 -2.89 0.23 -0.18 -4.88 115.26 104.96 1oi8 n ASN 49 Ca 0.12 -1.39 0.12 0.00 -0.53 0.00 0.00 54.58 52.91 1oi8 n ASN 49 Cb 0.51 -0.47 0.50 0.00 -2.08 0.00 0.00 39.78 38.24 1oi8 n ASN 49 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1oi8 n GLU 50 N -2.31 0.21 -0.23 -3.83 0.28 -1.26 -1.74 120.64 111.75 1oi8 n GLU 50 Ca 0.09 0.43 0.12 0.00 -0.16 0.00 0.00 57.16 57.63 1oi8 n GLU 50 Cb 0.31 -1.89 0.24 0.00 1.43 0.00 0.00 31.44 31.53 1oi8 n GLU 50 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1oi8 n TYR 51 N -2.28 0.61 -0.73 -1.84 4.01 -1.26 -4.94 117.16 110.73 1oi8 n TYR 51 Ca 0.02 -0.31 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 1oi8 n TYR 51 Cb 0.24 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1oi8 n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1oi8 n GLY 52 N 1.52 0.62 3.88 2.72 0.00 -0.71 -5.01 105.19 108.20 1oi8 n GLY 52 Ca 0.20 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1oi8 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 53 N -0.52 3.78 1.26 1.61 2.02 -1.26 -4.80 118.70 120.79 1oi8 s GLU 53 Ca 0.00 0.33 0.00 0.00 0.02 0.00 0.00 54.97 55.32 1oi8 s GLU 53 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 34.13 31.70 1oi8 s GLU 53 CO 0.00 0.15 0.00 2.48 0.02 0.00 0.00 175.26 177.91 1oi8 n TYR 54 N -0.75 0.00 0.00 1.61 0.18 0.10 -1.01 117.16 117.29 1oi8 n TYR 54 Ca 0.01 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.79 1oi8 n TYR 54 Cb 0.53 0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.51 1oi8 n TYR 54 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1oi8 n GLY 55 N 0.00 -0.29 0.25 -7.48 0.00 -1.25 -4.20 105.19 92.22 1oi8 n GLY 55 Ca 0.00 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.60 1oi8 n GLY 55 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1oi8 h LEU 56 N 0.00 0.00 -0.42 0.99 3.38 -1.52 -2.68 115.31 115.06 1oi8 h LEU 56 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 1oi8 h LEU 56 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1oi8 h LEU 56 CO 0.00 0.14 -0.20 0.00 0.09 0.00 0.00 178.44 178.47 1oi8 h ALA 57 N 1.86 0.59 -0.10 1.53 0.00 -1.86 0.93 119.26 122.20 1oi8 h ALA 57 Ca -0.00 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 1oi8 h ALA 57 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1oi8 h ALA 57 CO 0.02 0.56 -0.74 0.00 0.00 0.00 0.00 179.25 179.09 1oi8 h ALA 58 N 0.83 0.52 -0.83 0.00 0.00 -1.77 -1.66 119.26 116.35 1oi8 h ALA 58 Ca 0.09 -0.60 0.06 0.00 0.00 0.00 0.00 54.91 54.46 1oi8 h ALA 58 Cb 0.77 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1oi8 h ALA 58 CO 0.06 0.74 0.51 0.37 0.00 0.00 0.00 179.25 180.93 1oi8 h GLN 59 N 0.36 0.91 -0.25 0.00 4.15 -1.09 -1.60 115.11 117.59 1oi8 h GLN 59 Ca -0.04 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 1oi8 h GLN 59 Cb 1.32 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.80 1oi8 h GLN 59 CO 0.13 0.60 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.39 1oi8 h LYS 60 N 0.94 0.45 -0.33 1.69 1.63 -0.73 -0.34 116.57 119.89 1oi8 h LYS 60 Ca 0.36 -0.16 0.07 0.00 -0.85 0.00 0.00 60.65 60.08 1oi8 h LYS 60 Cb 0.17 -0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.69 1oi8 h LYS 60 CO -0.17 0.65 -0.21 1.15 -3.45 0.00 0.00 179.45 177.41 1oi8 h THR 61 N 0.21 0.41 0.11 1.00 2.02 -1.32 0.97 112.91 116.32 1oi8 h THR 61 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1oi8 h THR 61 Cb 0.47 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1oi8 h THR 61 CO 0.02 0.00 -0.05 0.25 0.37 0.00 0.00 175.52 176.11 1oi8 h LEU 62 N -0.18 -0.13 -0.86 2.58 5.85 -0.88 -2.20 115.31 119.49 1oi8 h LEU 62 Ca 0.17 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1oi8 h LEU 62 Cb 0.43 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1oi8 h LEU 62 CO -0.43 -0.09 0.14 0.58 -0.34 0.00 0.00 178.44 178.29 1oi8 h VAL 63 N -0.15 1.25 -0.50 1.05 2.07 -0.86 -1.79 116.25 117.32 1oi8 h VAL 63 Ca -0.02 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1oi8 h VAL 63 Cb 0.11 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1oi8 h VAL 63 CO 0.02 0.35 0.32 0.44 0.02 0.00 0.00 177.57 178.72 1oi8 h ASP 64 N 0.93 0.54 -0.89 0.57 3.32 -0.63 -0.31 116.42 119.95 1oi8 h ASP 64 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 1oi8 h ASP 64 Cb 0.35 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1oi8 h ASP 64 CO 0.00 0.38 0.56 1.23 -1.72 0.00 0.00 179.24 179.70 1oi8 h GLY 65 N 0.65 1.28 1.01 2.75 0.00 -0.95 -1.87 103.07 105.93 1oi8 h GLY 65 Ca 0.19 -0.51 -0.13 0.00 0.00 0.00 0.00 47.33 46.88 1oi8 h GLY 65 CO -0.06 0.50 -0.31 -2.22 0.00 0.00 0.00 176.54 174.44 1oi8 h ILE 66 N 1.22 1.29 -0.95 2.60 2.04 -0.58 -0.64 117.51 122.49 1oi8 h ILE 66 Ca 0.32 -1.48 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1oi8 h ILE 66 Cb -0.09 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 1oi8 h ILE 66 CO -0.06 0.48 0.60 0.03 0.00 0.00 0.00 178.15 179.20 1oi8 h ARG 67 N 0.53 1.28 -0.14 2.37 3.08 -0.86 0.08 114.38 120.72 1oi8 h ARG 67 Ca 0.05 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1oi8 h ARG 67 Cb 0.88 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1oi8 h ARG 67 CO 0.08 0.87 -0.11 -0.22 -1.07 0.00 0.00 179.97 179.52 1oi8 h LYS 68 N 1.31 0.31 -0.92 0.04 3.64 -1.15 -1.07 116.57 118.71 1oi8 h LYS 68 Ca 0.35 -0.15 0.16 0.00 -1.27 0.00 0.00 60.65 59.74 1oi8 h LYS 68 Cb -0.10 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.62 1oi8 h LYS 68 CO -0.07 0.68 0.52 1.49 -2.27 0.00 0.00 179.45 179.80 1oi8 h GLU 69 N -0.06 0.68 0.23 1.90 4.81 -0.78 -2.08 114.58 119.28 1oi8 h GLU 69 Ca 0.03 -0.04 -0.34 0.00 -0.13 0.00 0.00 59.36 58.88 1oi8 h GLU 69 Cb 0.61 -0.15 0.03 0.00 0.63 0.00 0.00 28.75 29.86 1oi8 h GLU 69 CO 0.03 0.45 -1.53 0.28 -0.73 0.00 0.00 179.01 177.51 1oi8 h VAL 70 N 0.70 1.21 -0.67 0.32 2.07 -0.88 -2.80 116.25 116.21 1oi8 h VAL 70 Ca 0.51 -2.69 0.03 0.00 0.82 0.00 0.00 66.70 65.37 1oi8 h VAL 70 Cb 0.75 2.96 -0.04 0.00 -1.52 0.00 0.00 31.29 33.44 1oi8 h VAL 70 CO -0.37 0.83 0.44 0.00 0.02 0.00 0.00 177.57 178.49 1oi8 h ALA 71 N 0.19 1.61 -0.02 1.67 0.00 -1.14 0.02 119.26 121.59 1oi8 h ALA 71 Ca -0.27 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.43 1oi8 h ALA 71 Cb 2.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1oi8 h ALA 71 CO 0.24 0.32 -0.78 0.00 0.00 0.00 0.00 179.25 179.04 1oi8 h ALA 72 N 1.61 0.65 0.00 0.00 0.00 -1.36 -2.36 119.26 117.79 1oi8 h ALA 72 Ca 0.26 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1oi8 h ALA 72 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oi8 h ALA 72 CO -0.07 0.86 0.00 0.39 0.00 0.00 0.00 179.25 180.43 1oi8 n GLU 73 N -3.72 0.23 -0.59 0.00 1.02 -1.01 -4.94 120.64 111.63 1oi8 n GLU 73 Ca -0.03 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1oi8 n GLU 73 Cb 0.74 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 1oi8 n GLU 73 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1oi8 n GLY 74 N 1.07 0.74 1.63 0.62 0.00 -0.60 -5.02 105.19 103.63 1oi8 n GLY 74 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 1oi8 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 75 N -2.37 -0.49 3.24 -0.02 0.00 -0.11 -4.80 105.19 100.63 1oi8 n GLY 75 Ca 0.00 -1.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 1oi8 n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oi8 s SER 76 N -2.91 2.14 -0.09 1.61 0.01 -0.75 -4.29 113.70 109.41 1oi8 s SER 76 Ca 0.30 -0.67 0.03 0.00 1.31 0.00 0.00 55.95 56.92 1oi8 s SER 76 Cb -0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1oi8 s SER 76 CO 0.21 -0.02 -0.20 -0.69 0.41 0.00 0.00 173.24 172.96 1oi8 s VAL 77 N -1.31 2.50 -0.11 3.43 1.01 -1.26 0.01 120.40 124.68 1oi8 s VAL 77 Ca 0.03 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1oi8 s VAL 77 Cb -0.10 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1oi8 s VAL 77 CO 0.03 0.55 -0.16 -0.22 0.00 0.00 0.00 175.10 175.30 1oi8 s LEU 78 N 0.08 2.54 -0.23 3.92 0.20 -0.36 -4.97 118.68 119.85 1oi8 s LEU 78 Ca -0.09 -0.38 -0.01 0.00 0.69 0.00 0.00 54.13 54.34 1oi8 s LEU 78 Cb -0.15 -1.54 0.02 0.00 -0.43 0.00 0.00 46.19 44.08 1oi8 s LEU 78 CO 0.05 0.19 -0.08 -0.22 -0.29 0.00 0.00 176.35 176.00 1oi8 s LEU 79 N 0.21 2.96 0.11 -0.68 2.96 -1.26 -0.78 118.68 122.21 1oi8 s LEU 79 Ca -0.10 -0.77 0.09 0.00 -0.22 0.00 0.00 54.13 53.13 1oi8 s LEU 79 Cb -0.16 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.86 1oi8 s LEU 79 CO 0.06 -0.09 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.00 1oi8 s LEU 80 N 1.34 2.30 -0.06 -0.68 1.43 -0.07 -0.02 118.68 122.92 1oi8 s LEU 80 Ca 0.02 -0.70 0.05 0.00 -1.03 0.00 0.00 54.13 52.46 1oi8 s LEU 80 Cb -0.16 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1oi8 s LEU 80 CO -0.06 0.13 -0.19 -0.55 0.23 0.00 0.00 176.35 175.91 1oi8 s SER 81 N -1.92 3.62 0.00 2.29 0.15 -0.63 -2.18 113.70 115.02 1oi8 s SER 81 Ca 0.10 -0.34 0.08 0.00 0.70 0.00 0.00 55.95 56.49 1oi8 s SER 81 Cb -0.10 -0.85 0.34 0.00 -1.71 0.00 0.00 66.02 63.69 1oi8 s SER 81 CO 0.05 0.29 1.24 0.61 1.20 0.00 0.00 173.24 176.63 1oi8 n GLY 82 N 2.65 -0.37 4.67 9.45 0.00 -0.25 -1.36 105.19 119.97 1oi8 n GLY 82 Ca -0.17 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1oi8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 83 N 0.78 -2.01 3.26 -0.02 0.00 -1.21 -4.28 105.19 101.71 1oi8 n GLY 83 Ca 0.07 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 1oi8 n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oi8 n ASP 84 N 0.64 -6.82 0.04 1.61 9.92 -1.26 0.43 116.55 121.11 1oi8 n ASP 84 Ca 0.00 -0.54 -0.13 0.00 -0.53 0.00 0.00 54.79 53.59 1oi8 n ASP 84 Cb 0.00 -4.89 -0.14 0.00 -0.64 0.00 0.00 41.12 35.46 1oi8 n ASP 84 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1oi8 h ILE 85 N -0.63 1.18 -3.75 0.53 1.08 -1.92 -0.29 117.51 113.72 1oi8 h ILE 85 Ca -0.41 -2.89 -0.49 0.00 -0.39 0.00 0.00 64.86 60.68 1oi8 h ILE 85 Cb 1.21 2.69 -0.02 0.00 -3.07 0.00 0.00 36.82 37.63 1oi8 h ILE 85 CO 0.39 0.78 0.28 0.20 -0.69 0.00 0.00 178.15 179.11 1oi8 s ASN 86 N -6.71 7.34 0.00 1.72 0.01 -1.26 -1.14 114.94 114.90 1oi8 s ASN 86 Ca -0.06 1.74 0.00 0.00 -0.71 0.00 0.00 52.86 53.83 1oi8 s ASN 86 Cb 0.08 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.20 1oi8 s ASN 86 CO 0.84 0.03 0.00 0.41 -1.51 0.00 0.00 177.10 176.86 1oi8 n THR 87 N 0.88 -1.23 0.00 1.60 -1.04 -1.26 -4.53 114.28 108.70 1oi8 n THR 87 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1oi8 n THR 87 Cb 0.50 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.78 1oi8 n THR 87 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1oi8 n GLY 88 N 0.49 1.06 2.82 3.41 0.00 -1.22 -4.33 105.19 107.41 1oi8 n GLY 88 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1oi8 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oi8 s VAL 89 N 0.00 0.45 0.48 1.61 1.01 -1.22 -4.91 120.40 117.81 1oi8 s VAL 89 Ca 0.00 0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.12 1oi8 s VAL 89 Cb 0.00 -0.55 0.27 0.00 0.00 0.00 0.00 36.38 36.10 1oi8 s VAL 89 CO 0.00 0.25 2.11 0.00 0.00 0.00 0.00 175.10 177.46 1oi8 h GLU 91 N 0.21 0.77 0.26 0.00 3.07 -1.93 0.14 114.58 117.10 1oi8 h GLU 91 Ca 0.06 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1oi8 h GLU 91 Cb -0.02 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1oi8 h GLU 91 CO -0.01 0.65 -0.12 1.03 -1.40 0.00 0.00 179.01 179.15 1oi8 h SER 92 N 0.76 -0.29 -0.57 1.42 0.87 -1.60 -3.28 113.55 110.86 1oi8 h SER 92 Ca 0.18 -0.23 0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1oi8 h SER 92 Cb 0.17 0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.14 1oi8 h SER 92 CO -0.02 0.14 0.21 0.44 -0.53 0.00 0.00 176.83 177.07 1oi8 h ASP 93 N -0.81 0.21 -0.93 6.23 5.19 -0.99 0.30 116.42 125.62 1oi8 h ASP 93 Ca -0.04 0.07 0.18 0.00 -0.62 0.00 0.00 57.03 56.62 1oi8 h ASP 93 Cb 0.51 0.05 -0.08 0.00 0.18 0.00 0.00 39.33 39.99 1oi8 h ASP 93 CO 0.06 0.14 0.59 0.25 -3.12 0.00 0.00 179.24 177.16 1oi8 h LEU 94 N 0.39 0.60 -3.52 1.55 5.85 -0.86 -2.18 115.31 117.15 1oi8 h LEU 94 Ca 0.28 0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.05 1oi8 h LEU 94 Cb 0.32 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1oi8 h LEU 94 CO -0.28 0.26 0.00 0.00 -0.34 0.00 0.00 178.44 178.08 1oi8 n GLN 95 N -4.59 4.75 -4.10 1.25 6.02 -0.05 -4.94 117.38 115.72 1oi8 n GLN 95 Ca 0.20 -3.14 -0.34 0.00 -0.01 0.00 0.00 57.00 53.71 1oi8 n GLN 95 Cb 0.57 -2.22 -0.01 0.00 1.02 0.00 0.00 30.24 29.60 1oi8 n GLN 95 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1oi8 n ASP 96 N 0.65 -3.78 -1.61 1.08 8.00 -0.67 -1.88 116.55 118.35 1oi8 n ASP 96 Ca 0.28 -0.92 -0.20 0.00 0.71 0.00 0.00 54.79 54.65 1oi8 n ASP 96 Cb 1.16 -3.19 -0.08 0.00 -0.02 0.00 0.00 41.12 38.99 1oi8 n ASP 96 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi8 n ALA 97 N -4.50 -0.32 0.06 2.24 0.00 -0.37 -4.91 120.51 112.72 1oi8 n ALA 97 Ca 0.05 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.70 1oi8 n ALA 97 Cb 0.51 -2.01 -0.05 0.00 0.00 0.00 0.00 19.45 17.91 1oi8 n ALA 97 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1oi8 h GLU 98 N 0.00 -0.35 -1.00 0.00 4.81 -1.63 -1.60 114.58 114.81 1oi8 h GLU 98 Ca -0.42 0.02 0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1oi8 h GLU 98 Cb 1.32 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.68 1oi8 h GLU 98 CO 0.61 -0.23 0.62 -1.00 -0.73 0.00 0.00 179.01 178.27 1oi8 h PRO 99 N -0.36 0.81 0.03 0.92 0.13 -1.91 -0.41 132.00 131.21 1oi8 h PRO 99 Ca 0.06 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1oi8 h PRO 99 Cb 0.43 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1oi8 h PRO 99 CO -0.20 0.53 -0.01 -0.44 -0.23 0.00 0.00 178.00 177.65 1oi8 h ASP 100 N 0.83 -0.03 -0.46 1.44 5.19 -1.76 0.10 116.42 121.73 1oi8 h ASP 100 Ca 0.55 -0.30 -0.06 0.00 -0.62 0.00 0.00 57.03 56.60 1oi8 h ASP 100 Cb 0.77 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.27 1oi8 h ASP 100 CO -0.33 0.28 0.06 -0.26 -3.12 0.00 0.00 179.24 175.87 1oi8 h PHE 101 N -0.35 0.82 -0.67 4.55 0.04 -1.02 -0.23 116.94 120.08 1oi8 h PHE 101 Ca -0.00 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 1oi8 h PHE 101 Cb 0.33 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1oi8 h PHE 101 CO 0.03 0.77 0.15 0.00 -0.60 0.00 0.00 178.31 178.66 1oi8 h ARG 102 N 0.62 1.07 -0.95 1.51 3.08 -1.06 -1.36 114.38 117.30 1oi8 h ARG 102 Ca 0.14 -0.26 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1oi8 h ARG 102 Cb 0.40 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 30.26 1oi8 h ARG 102 CO 0.01 0.97 0.62 0.78 -1.07 0.00 0.00 179.97 181.28 1oi8 h GLY 103 N 1.00 1.40 1.97 0.04 0.00 -0.56 -2.07 103.07 104.85 1oi8 h GLY 103 Ca 0.21 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 1oi8 h GLY 103 CO 0.00 0.39 -0.35 -0.33 0.00 0.00 0.00 176.54 176.26 1oi8 h MET 104 N 1.19 0.04 -0.56 4.80 2.86 -0.46 -0.54 114.93 122.26 1oi8 h MET 104 Ca 0.39 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1oi8 h MET 104 Cb 0.03 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1oi8 h MET 104 CO -0.13 0.38 0.37 -0.91 1.06 0.00 0.00 176.91 177.68 1oi8 h ASN 105 N 0.03 0.65 -0.30 1.22 2.35 -0.57 -0.77 115.58 118.19 1oi8 h ASN 105 Ca 0.00 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 1oi8 h ASN 105 Cb 0.63 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1oi8 h ASN 105 CO 0.05 0.48 -0.34 0.25 -1.65 0.00 0.00 177.43 176.21 1oi8 h LEU 106 N 0.76 0.88 -1.33 1.61 5.85 -0.99 -1.57 115.31 120.52 1oi8 h LEU 106 Ca 0.20 -0.38 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1oi8 h LEU 106 Cb -0.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.67 1oi8 h LEU 106 CO -0.04 1.14 0.46 0.58 -0.34 0.00 0.00 178.44 180.23 1oi8 h VAL 107 N 0.70 1.16 -0.37 1.05 2.07 -1.02 -3.47 116.25 116.37 1oi8 h VAL 107 Ca 0.07 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1oi8 h VAL 107 Cb 0.90 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1oi8 h VAL 107 CO 0.08 0.17 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1oi8 n GLY 108 N -1.43 0.73 3.76 2.17 0.00 -0.33 -4.91 105.19 105.17 1oi8 n GLY 108 Ca 0.08 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1oi8 n GLY 108 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oi8 s TYR 109 N -1.84 2.53 -0.19 1.61 1.51 -0.99 -4.71 117.35 115.26 1oi8 s TYR 109 Ca 0.00 1.46 0.14 0.00 -1.01 0.00 0.00 57.07 57.66 1oi8 s TYR 109 Cb 0.00 -3.59 -0.22 0.00 -0.11 0.00 0.00 41.96 38.05 1oi8 s TYR 109 CO 0.00 -2.25 0.01 -0.25 -1.11 0.00 0.00 175.55 171.95 1oi8 n ASP 110 N -0.91 0.71 -3.64 2.29 8.00 0.97 -4.64 116.55 119.32 1oi8 n ASP 110 Ca 0.10 -0.02 -0.05 0.00 0.71 0.00 0.00 54.79 55.53 1oi8 n ASP 110 Cb 0.47 0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 42.27 1oi8 n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi8 s ALA 111 N -2.46 -1.79 -0.04 2.24 0.00 -1.22 -4.18 121.76 114.31 1oi8 s ALA 111 Ca -0.14 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 52.35 1oi8 s ALA 111 Cb 0.06 0.50 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1oi8 s ALA 111 CO 0.73 -0.89 0.13 1.41 0.00 0.00 0.00 175.76 177.13 1oi8 s MET 112 N -3.10 0.19 0.30 0.00 1.75 -0.93 -1.61 119.30 115.90 1oi8 s MET 112 Ca 0.10 0.10 -0.27 0.00 -1.25 0.00 0.00 55.69 54.37 1oi8 s MET 112 Cb -0.01 0.09 -0.10 0.00 2.84 0.00 0.00 34.83 37.66 1oi8 s MET 112 CO -0.03 -0.03 0.95 0.00 -0.65 0.00 0.00 175.02 175.27 1oi8 s ALA 113 N -0.11 3.25 0.03 4.11 0.00 -0.46 -0.02 121.76 128.56 1oi8 s ALA 113 Ca -0.02 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1oi8 s ALA 113 Cb -0.02 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1oi8 s ALA 113 CO 0.00 0.15 1.15 0.42 0.00 0.00 0.00 175.76 177.48 1oi8 s ILE 114 N -1.47 4.25 0.42 0.00 1.01 -0.38 -3.29 121.20 121.74 1oi8 s ILE 114 Ca 0.48 1.61 0.08 0.00 0.00 0.00 0.00 60.65 62.82 1oi8 s ILE 114 Cb -0.21 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1oi8 s ILE 114 CO 0.27 0.11 0.52 -0.83 0.00 0.00 0.00 174.94 175.00 1oi8 s GLY 115 N 1.10 2.01 0.42 6.18 0.00 -1.26 -4.44 107.32 111.32 1oi8 s GLY 115 Ca 0.57 -1.75 0.09 0.00 0.00 0.00 0.00 44.72 43.64 1oi8 s GLY 115 CO 0.28 -1.56 2.01 3.45 0.00 0.00 0.00 173.10 177.28 1oi8 h ASN 116 N 0.75 0.30 0.57 1.64 -1.07 -1.91 -1.97 115.58 113.88 1oi8 h ASN 116 Ca -0.40 -0.03 0.00 0.00 0.07 0.00 0.00 56.30 55.94 1oi8 h ASN 116 Cb 1.28 -0.08 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 1oi8 h ASN 116 CO 0.49 0.31 0.00 1.41 0.07 0.00 0.00 177.43 179.71 1oi8 n HIS 117 N -4.40 0.00 0.42 4.14 8.25 -1.26 -1.21 115.22 121.15 1oi8 n HIS 117 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1oi8 n HIS 117 Cb 0.15 -0.41 0.45 0.00 1.12 0.00 0.00 29.99 31.30 1oi8 n HIS 117 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1oi8 n GLU 118 N -1.41 0.15 -0.69 -0.41 4.71 -0.74 -2.13 120.64 120.12 1oi8 n GLU 118 Ca 0.07 0.38 0.08 0.00 -0.01 0.00 0.00 57.16 57.69 1oi8 n GLU 118 Cb 0.21 -1.79 0.36 0.00 -1.01 0.00 0.00 31.44 29.21 1oi8 n GLU 118 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 1oi8 n PHE 119 N -2.07 1.62 0.22 -0.32 3.72 -0.35 -4.23 117.46 116.05 1oi8 n PHE 119 Ca 0.02 -0.67 0.11 0.00 -0.05 0.00 0.00 57.45 56.86 1oi8 n PHE 119 Cb 0.21 -0.33 0.35 0.00 -0.94 0.00 0.00 39.48 38.77 1oi8 n PHE 119 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1oi8 h ASP 120 N 3.83 0.00 -2.56 4.37 5.19 -1.55 -3.44 116.42 122.26 1oi8 h ASP 120 Ca 0.00 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 55.84 1oi8 h ASP 120 Cb 1.61 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 41.04 1oi8 h ASP 120 CO 0.31 0.16 -0.61 0.20 -3.12 0.00 0.00 179.24 176.18 1oi8 s ASN 121 N -6.14 4.98 0.65 6.45 0.02 -1.26 -5.04 114.94 114.61 1oi8 s ASN 121 Ca 0.03 -0.38 -0.17 0.00 -1.02 0.00 0.00 52.86 51.32 1oi8 s ASN 121 Cb 0.08 -1.12 -0.04 0.00 0.02 0.00 0.00 41.25 40.19 1oi8 s ASN 121 CO 0.65 0.04 0.82 -2.65 0.02 0.00 0.00 177.10 175.97 1oi8 n PRO 122 N -0.54 0.62 -0.19 -0.60 -0.02 -1.26 -4.80 135.00 128.21 1oi8 n PRO 122 Ca -0.08 0.25 0.10 0.00 -2.02 0.00 0.00 63.50 61.75 1oi8 n PRO 122 Cb 0.56 -2.05 0.40 0.00 -0.02 0.00 0.00 33.50 32.40 1oi8 n PRO 122 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1oi8 h LEU 123 N 0.08 0.58 -1.30 2.45 5.85 -1.94 0.58 115.31 121.62 1oi8 h LEU 123 Ca -0.47 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1oi8 h LEU 123 Cb 1.36 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 1oi8 h LEU 123 CO 0.48 0.34 0.55 0.74 -0.34 0.00 0.00 178.44 180.20 1oi8 h THR 124 N 0.64 0.92 -0.47 1.05 2.02 -2.00 -0.47 112.91 114.60 1oi8 h THR 124 Ca 0.36 -0.26 -0.08 0.00 0.77 0.00 0.00 66.41 67.20 1oi8 h THR 124 Cb 0.52 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 1oi8 h THR 124 CO -0.13 0.14 -0.03 0.58 0.37 0.00 0.00 175.52 176.44 1oi8 h VAL 125 N 0.75 1.27 -0.50 3.16 2.07 -1.22 -2.60 116.25 119.17 1oi8 h VAL 125 Ca 0.40 -1.12 -0.05 0.00 0.82 0.00 0.00 66.70 66.76 1oi8 h VAL 125 Cb 0.53 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1oi8 h VAL 125 CO -0.17 0.39 0.12 0.25 0.02 0.00 0.00 177.57 178.18 1oi8 h LEU 126 N 0.70 0.71 -1.00 2.57 5.85 -1.15 -0.72 115.31 122.29 1oi8 h LEU 126 Ca 0.13 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1oi8 h LEU 126 Cb 0.55 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1oi8 h LEU 126 CO 0.03 0.71 0.44 0.03 -0.34 0.00 0.00 178.44 179.31 1oi8 h ARG 127 N 0.74 1.15 0.00 1.25 2.47 -0.86 -0.34 114.38 118.79 1oi8 h ARG 127 Ca 0.17 -0.14 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 1oi8 h ARG 127 Cb 0.28 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1oi8 h ARG 127 CO -0.00 0.84 -0.39 0.37 0.56 0.00 0.00 179.97 181.35 1oi8 h GLN 128 N 1.15 0.00 -0.12 0.04 5.75 -1.02 -1.51 115.11 119.40 1oi8 h GLN 128 Ca 0.29 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.63 1oi8 h GLN 128 Cb 0.04 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 1oi8 h GLN 128 CO -0.04 0.39 -0.61 1.96 -2.65 0.00 0.00 178.83 177.88 1oi8 h GLN 129 N 0.00 0.41 -0.92 1.69 4.20 0.05 -0.92 115.11 119.62 1oi8 h GLN 129 Ca -0.00 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.47 1oi8 h GLN 129 Cb 0.78 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.55 1oi8 h GLN 129 CO 0.05 0.89 0.60 0.93 -0.67 0.00 0.00 178.83 180.64 1oi8 h GLU 130 N 0.30 1.08 -0.14 1.46 5.08 -0.69 -0.71 114.58 120.96 1oi8 h GLU 130 Ca -0.01 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1oi8 h GLU 130 Cb 1.15 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1oi8 h GLU 130 CO 0.11 0.71 0.02 -0.22 -1.00 0.00 0.00 179.01 178.63 1oi8 h LYS 131 N 1.11 0.24 -0.78 2.33 1.63 -0.81 -3.19 116.57 117.10 1oi8 h LYS 131 Ca 0.38 -0.07 0.02 0.00 -0.85 0.00 0.00 60.65 60.14 1oi8 h LYS 131 Cb 0.09 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 1oi8 h LYS 131 CO -0.13 0.44 0.50 -1.49 -3.45 0.00 0.00 179.45 175.32 1oi8 h TRP 132 N 0.02 0.95 -3.11 1.91 6.55 -0.95 -3.43 115.95 117.89 1oi8 h TRP 132 Ca 0.04 0.02 -0.54 0.00 0.95 0.00 0.00 58.89 59.37 1oi8 h TRP 132 Cb 0.31 -0.32 0.01 0.00 -0.86 0.00 0.00 29.16 28.30 1oi8 h TRP 132 CO 0.02 0.56 0.64 0.00 -1.05 0.00 0.00 178.44 178.61 1oi8 s ALA 133 N -6.12 3.46 -0.42 1.49 0.00 -0.29 -4.73 121.76 115.16 1oi8 s ALA 133 Ca -0.13 0.90 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1oi8 s ALA 133 Cb 0.16 -3.49 0.51 0.00 0.00 0.00 0.00 23.12 20.30 1oi8 s ALA 133 CO 0.78 -0.55 1.44 1.63 0.00 0.00 0.00 175.76 179.06 1oi8 n LYS 134 N 4.18 2.91 -4.10 0.00 5.02 -1.26 -4.84 118.16 120.07 1oi8 n LYS 134 Ca 0.10 -2.05 -0.11 0.00 -2.02 0.00 0.00 58.31 54.22 1oi8 n LYS 134 Cb 0.45 -1.92 -0.11 0.00 -0.02 0.00 0.00 35.03 33.43 1oi8 n LYS 134 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1oi8 s PHE 135 N -2.17 0.71 0.31 2.13 -0.71 -1.26 -5.02 117.98 111.97 1oi8 s PHE 135 Ca 0.37 -0.69 -0.29 0.00 -1.04 0.00 0.00 56.93 55.28 1oi8 s PHE 135 Cb 0.29 -0.43 -0.10 0.00 -1.21 0.00 0.00 43.02 41.58 1oi8 s PHE 135 CO 0.09 -0.14 1.17 -1.25 -1.34 0.00 0.00 175.22 173.76 1oi8 s PRO 136 N -2.56 4.49 -0.40 1.99 0.04 -1.26 -4.91 135.00 132.39 1oi8 s PRO 136 Ca -0.01 1.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1oi8 s PRO 136 Cb -0.03 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1oi8 s PRO 136 CO -0.02 0.03 0.54 -0.51 0.04 0.00 0.00 177.00 177.08 1oi8 s LEU 137 N -1.68 4.52 -0.10 -3.56 1.43 -1.26 -2.20 118.68 115.84 1oi8 s LEU 137 Ca 0.47 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1oi8 s LEU 137 Cb -0.34 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.26 1oi8 s LEU 137 CO 0.44 -0.60 0.01 -0.76 0.23 0.00 0.00 176.35 175.67 1oi8 s LEU 138 N 2.47 3.59 -0.27 1.79 1.43 0.98 -4.45 118.68 124.21 1oi8 s LEU 138 Ca 0.18 0.12 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1oi8 s LEU 138 Cb -0.15 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.34 1oi8 s LEU 138 CO 0.15 0.34 0.63 -0.55 0.23 0.00 0.00 176.35 177.16 1oi8 s SER 139 N -0.68 -0.95 0.22 2.29 0.15 -0.79 -1.26 113.70 112.68 1oi8 s SER 139 Ca 0.11 1.46 0.22 0.00 0.70 0.00 0.00 55.95 58.44 1oi8 s SER 139 Cb -0.12 1.73 0.02 0.00 -1.71 0.00 0.00 66.02 65.95 1oi8 s SER 139 CO 0.02 -0.23 1.09 0.00 1.20 0.00 0.00 173.24 175.32 1oi8 h ALA 140 N 7.52 0.57 -0.51 5.45 0.00 -1.10 -3.37 119.26 127.82 1oi8 h ALA 140 Ca -0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1oi8 h ALA 140 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1oi8 h ALA 140 CO 0.14 0.09 0.00 0.27 0.00 0.00 0.00 179.25 179.75 1oi8 n ASN 141 N -2.75 3.44 -4.50 0.00 6.94 -1.26 -4.88 115.26 112.26 1oi8 n ASN 141 Ca -0.00 -1.97 -0.38 0.00 -0.02 0.00 0.00 54.58 52.21 1oi8 n ASN 141 Cb 0.58 -0.34 -0.12 0.00 -2.36 0.00 0.00 39.78 37.55 1oi8 n ASN 141 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1oi8 s ILE 142 N -1.10 4.83 0.08 1.53 1.01 -1.26 -0.67 121.20 125.62 1oi8 s ILE 142 Ca 0.37 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.98 1oi8 s ILE 142 Cb 0.20 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 1oi8 s ILE 142 CO 0.27 0.19 -0.26 -0.31 0.00 0.00 0.00 174.94 174.82 1oi8 s TYR 143 N 1.67 2.33 -0.39 3.97 1.51 0.00 -1.78 117.35 124.67 1oi8 s TYR 143 Ca 0.06 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.49 1oi8 s TYR 143 Cb -0.16 -1.33 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 1oi8 s TYR 143 CO 0.08 0.22 0.82 -1.14 -1.11 0.00 0.00 175.55 174.41 1oi8 s GLN 144 N -1.60 3.70 0.24 -0.62 0.74 0.67 -0.67 119.66 122.12 1oi8 s GLN 144 Ca 0.13 0.28 -0.05 0.00 0.05 0.00 0.00 55.36 55.77 1oi8 s GLN 144 Cb -0.10 -3.84 0.44 0.00 1.10 0.00 0.00 33.01 30.61 1oi8 s GLN 144 CO 0.04 -0.94 1.74 0.87 -0.55 0.00 0.00 175.29 176.45 1oi8 h LYS 145 N 8.60 0.45 -0.48 1.67 1.57 -1.75 0.16 116.57 126.79 1oi8 h LYS 145 Ca -0.24 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.46 1oi8 h LYS 145 Cb 1.09 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1oi8 h LYS 145 CO 0.94 0.30 0.11 0.66 -0.57 0.00 0.00 179.45 180.89 1oi8 h SER 146 N 0.46 0.67 0.00 0.86 4.64 -1.92 -3.15 113.55 115.12 1oi8 h SER 146 Ca 0.40 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1oi8 h SER 146 Cb 0.59 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1oi8 h SER 146 CO -0.38 0.67 -1.06 0.35 -0.87 0.00 0.00 176.83 175.54 1oi8 n THR 147 N -4.29 0.00 -1.15 2.95 -2.24 -1.10 -5.00 114.28 103.44 1oi8 n THR 147 Ca 0.03 -0.22 -0.05 0.00 -2.27 0.00 0.00 64.05 61.54 1oi8 n THR 147 Cb 0.22 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 1oi8 n THR 147 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 148 N 1.45 0.73 3.87 3.38 0.00 0.54 -5.01 105.19 110.13 1oi8 n GLY 148 Ca 0.01 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 1oi8 n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 149 N -1.95 3.16 0.42 1.61 0.41 -1.22 -4.89 118.70 116.24 1oi8 s GLU 149 Ca 0.00 -0.72 -0.25 0.00 -0.41 0.00 0.00 54.97 53.59 1oi8 s GLU 149 Cb 0.00 -2.81 -0.08 0.00 -1.78 0.00 0.00 34.13 29.46 1oi8 s GLU 149 CO 0.00 0.51 1.18 1.03 -0.49 0.00 0.00 175.26 177.49 1oi8 s ARG 150 N -3.10 3.95 0.19 1.61 0.52 -1.26 -0.24 118.95 120.62 1oi8 s ARG 150 Ca 0.33 1.86 0.19 0.00 -0.52 0.00 0.00 55.73 57.58 1oi8 s ARG 150 Cb -0.11 -2.60 -0.00 0.00 0.52 0.00 0.00 34.95 32.76 1oi8 s ARG 150 CO 0.26 -0.42 1.10 -0.07 0.02 0.00 0.00 175.30 176.19 1oi8 h LEU 151 N 2.45 0.00 -8.80 2.53 3.38 -1.68 -3.45 115.31 109.75 1oi8 h LEU 151 Ca -0.49 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.15 1oi8 h LEU 151 Cb 1.24 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.85 1oi8 h LEU 151 CO 0.62 0.31 -0.65 -0.36 0.09 0.00 0.00 178.44 178.46 1oi8 s PHE 152 N -3.10 1.42 0.11 1.13 0.08 -1.26 -5.11 117.98 111.25 1oi8 s PHE 152 Ca 0.00 -1.04 -0.31 0.00 0.12 0.00 0.00 56.93 55.70 1oi8 s PHE 152 Cb 0.08 -0.82 -0.09 0.00 -0.57 0.00 0.00 43.02 41.62 1oi8 s PHE 152 CO 0.78 -0.19 1.57 0.15 -0.10 0.00 0.00 175.22 177.42 1oi8 s LYS 153 N -3.93 4.23 0.15 0.44 1.02 -1.26 -4.75 119.74 115.63 1oi8 s LYS 153 Ca 0.29 2.29 0.02 0.00 0.02 0.00 0.00 55.97 58.60 1oi8 s LYS 153 Cb 0.06 -3.35 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1oi8 s LYS 153 CO 0.08 -0.63 1.34 -1.00 -0.92 0.00 0.00 175.35 174.23 1oi8 h PRO 154 N 7.42 0.19 -3.58 -1.68 0.13 -1.92 -2.11 132.00 130.45 1oi8 h PRO 154 Ca -0.42 -0.23 -0.05 0.00 -0.87 0.00 0.00 66.00 64.43 1oi8 h PRO 154 Cb 1.20 0.07 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 1oi8 h PRO 154 CO 0.91 0.99 -0.11 1.67 -0.23 0.00 0.00 178.00 181.23 1oi8 s TRP 155 N -3.12 0.22 0.12 1.56 -2.14 -1.26 -1.77 118.94 112.55 1oi8 s TRP 155 Ca -0.03 -0.59 0.05 0.00 2.66 0.00 0.00 56.10 58.20 1oi8 s TRP 155 Cb 0.10 0.21 -0.04 0.00 -3.10 0.00 0.00 33.47 30.64 1oi8 s TRP 155 CO 0.83 -0.93 -0.12 0.00 -2.66 0.00 0.00 176.95 174.07 1oi8 s ALA 156 N -3.97 1.37 0.02 2.67 0.00 -0.33 -4.97 121.76 116.56 1oi8 s ALA 156 Ca 0.18 -1.28 0.05 0.00 0.00 0.00 0.00 51.96 50.91 1oi8 s ALA 156 Cb -0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1oi8 s ALA 156 CO 0.04 0.04 -0.12 -0.51 0.00 0.00 0.00 175.76 175.22 1oi8 s LEU 157 N -2.52 2.93 -0.02 0.00 1.43 -1.26 -0.98 118.68 118.26 1oi8 s LEU 157 Ca 0.09 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1oi8 s LEU 157 Cb -0.04 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.49 1oi8 s LEU 157 CO 0.02 0.27 -0.07 -0.36 0.23 0.00 0.00 176.35 176.43 1oi8 s PHE 158 N -0.97 0.76 -0.26 0.29 0.08 0.76 -4.98 117.98 113.65 1oi8 s PHE 158 Ca 0.16 -0.17 -0.10 0.00 0.12 0.00 0.00 56.93 56.94 1oi8 s PHE 158 Cb -0.11 -0.53 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 1oi8 s PHE 158 CO 0.07 -0.06 0.17 0.15 -0.10 0.00 0.00 175.22 175.44 1oi8 s LYS 159 N 0.09 3.99 -0.26 0.44 3.01 -1.26 -0.69 119.74 125.05 1oi8 s LYS 159 Ca -0.01 -0.31 -0.03 0.00 -1.01 0.00 0.00 55.97 54.62 1oi8 s LYS 159 Cb -0.06 -3.57 0.09 0.00 -1.01 0.00 0.00 37.83 33.27 1oi8 s LYS 159 CO -0.00 -0.05 0.09 1.03 0.51 0.00 0.00 175.35 176.93 1oi8 s ARG 160 N 1.38 0.47 -1.34 1.68 1.81 -0.59 -4.83 118.95 117.52 1oi8 s ARG 160 Ca 0.07 -0.64 -0.02 0.00 -1.72 0.00 0.00 55.73 53.41 1oi8 s ARG 160 Cb -0.15 -1.73 0.01 0.00 -0.45 0.00 0.00 34.95 32.64 1oi8 s ARG 160 CO 0.07 -0.88 0.75 1.04 -0.68 0.00 0.00 175.30 175.60 1oi8 n GLN 161 N 5.07 -5.08 -0.79 3.54 6.02 -1.26 -1.78 117.38 123.11 1oi8 n GLN 161 Ca -0.05 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 1oi8 n GLN 161 Cb 0.44 -5.24 0.00 0.00 1.02 0.00 0.00 30.24 26.45 1oi8 n GLN 161 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1oi8 n ASP 162 N -3.02 -2.10 -4.78 1.08 5.75 -1.26 -4.97 116.55 107.25 1oi8 n ASP 162 Ca -0.24 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.15 1oi8 n ASP 162 Cb 0.65 -2.13 -0.06 0.00 -1.03 0.00 0.00 41.12 38.55 1oi8 n ASP 162 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1oi8 s LEU 163 N 0.00 4.49 -0.31 -2.12 1.43 -0.73 -4.69 118.68 116.75 1oi8 s LEU 163 Ca 0.00 1.34 -0.17 0.00 -1.03 0.00 0.00 54.13 54.26 1oi8 s LEU 163 Cb 0.00 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 1oi8 s LEU 163 CO 0.00 0.16 0.47 -0.75 0.23 0.00 0.00 176.35 176.46 1oi8 s LYS 164 N -0.61 3.81 -0.18 1.70 2.20 -1.26 -1.55 119.74 123.85 1oi8 s LYS 164 Ca 0.33 -0.02 -0.02 0.00 -0.36 0.00 0.00 55.97 55.90 1oi8 s LYS 164 Cb -0.20 -3.74 -0.01 0.00 -1.51 0.00 0.00 37.83 32.37 1oi8 s LYS 164 CO 0.20 -0.48 -0.08 0.42 -0.36 0.00 0.00 175.35 175.05 1oi8 s ILE 165 N 2.28 3.22 -0.19 5.43 1.01 0.13 -0.71 121.20 132.36 1oi8 s ILE 165 Ca 0.18 -0.57 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1oi8 s ILE 165 Cb -0.16 -2.42 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1oi8 s ILE 165 CO 0.11 0.47 0.09 0.00 0.00 0.00 0.00 174.94 175.61 1oi8 s ALA 166 N 1.01 3.49 -0.25 9.38 0.00 0.40 -0.17 121.76 135.63 1oi8 s ALA 166 Ca -0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1oi8 s ALA 166 Cb -0.15 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.95 1oi8 s ALA 166 CO -0.01 0.12 -0.01 0.08 0.00 0.00 0.00 175.76 175.94 1oi8 s VAL 167 N 0.46 3.40 0.03 0.00 1.01 -0.15 -0.69 120.40 124.46 1oi8 s VAL 167 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1oi8 s VAL 167 Cb -0.12 -2.66 -0.06 0.00 0.00 0.00 0.00 36.38 33.54 1oi8 s VAL 167 CO 0.00 0.26 0.42 -0.63 0.00 0.00 0.00 175.10 175.15 1oi8 s ILE 168 N 1.44 5.03 -0.09 2.22 1.01 0.11 -1.19 121.20 129.74 1oi8 s ILE 168 Ca 0.03 0.73 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 1oi8 s ILE 168 Cb -0.16 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.58 1oi8 s ILE 168 CO -0.02 0.47 0.06 -0.83 0.00 0.00 0.00 174.94 174.62 1oi8 s GLY 169 N -1.32 1.97 -0.01 6.18 0.00 -0.73 -0.03 107.32 113.38 1oi8 s GLY 169 Ca 0.27 -0.76 -0.04 0.00 0.00 0.00 0.00 44.72 44.20 1oi8 s GLY 169 CO 0.15 -0.52 0.08 1.08 0.00 0.00 0.00 173.10 173.89 1oi8 s LEU 170 N -1.01 1.76 -0.08 0.66 1.43 -0.47 -0.77 118.68 120.20 1oi8 s LEU 170 Ca 0.15 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1oi8 s LEU 170 Cb -0.12 0.37 0.01 0.00 0.03 0.00 0.00 46.19 46.48 1oi8 s LEU 170 CO 0.04 -0.19 -0.18 -0.89 0.23 0.00 0.00 176.35 175.36 1oi8 s THR 171 N -0.72 1.56 0.22 5.49 2.01 -1.26 -1.14 115.64 121.80 1oi8 s THR 171 Ca -0.08 -0.73 -0.31 0.00 0.31 0.00 0.00 61.69 60.88 1oi8 s THR 171 Cb -0.05 -1.38 -0.14 0.00 0.01 0.00 0.00 72.50 70.94 1oi8 s THR 171 CO 0.00 0.45 1.24 1.07 -0.69 0.00 0.00 174.62 176.69 1oi8 n THR 172 N 3.67 1.09 1.03 -0.82 5.66 -0.30 -4.67 114.28 119.94 1oi8 n THR 172 Ca -0.21 -0.27 0.11 0.00 -3.05 0.00 0.00 64.05 60.62 1oi8 n THR 172 Cb 0.52 -1.13 0.54 0.00 -1.55 0.00 0.00 70.33 68.72 1oi8 n THR 172 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1oi8 n ASP 173 N 1.93 0.00 0.27 1.09 5.75 -1.26 -2.26 116.55 122.06 1oi8 n ASP 173 Ca 0.13 -0.04 0.18 0.00 -0.01 0.00 0.00 54.79 55.05 1oi8 n ASP 173 Cb 0.29 -0.28 0.85 0.00 -1.03 0.00 0.00 41.12 40.94 1oi8 n ASP 173 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1oi8 h ASP 174 N 0.00 0.00 -0.87 -1.12 3.32 -1.96 -3.24 116.42 112.55 1oi8 h ASP 174 Ca 0.00 0.00 0.23 0.00 0.02 0.00 0.00 57.03 57.28 1oi8 h ASP 174 Cb 0.20 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.60 1oi8 h ASP 174 CO 0.00 0.00 0.10 0.74 -1.72 0.00 0.00 179.24 178.36 1oi8 h THR 175 N 0.00 0.23 0.00 0.35 2.02 -1.82 -0.22 112.91 113.47 1oi8 h THR 175 Ca 0.00 -0.04 -0.03 0.00 0.77 0.00 0.00 66.41 67.12 1oi8 h THR 175 Cb 0.25 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1oi8 h THR 175 CO 0.00 0.02 -0.12 0.00 0.37 0.00 0.00 175.52 175.79 1oi8 h ALA 176 N 1.82 1.05 0.09 6.16 0.00 -1.83 -2.10 119.26 124.44 1oi8 h ALA 176 Ca 0.52 -0.11 -0.27 0.00 0.00 0.00 0.00 54.91 55.05 1oi8 h ALA 176 Cb 1.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1oi8 h ALA 176 CO -0.74 0.15 -1.31 -0.22 0.00 0.00 0.00 179.25 177.14 1oi8 h LYS 177 N 0.00 0.19 0.00 0.00 3.64 -1.28 -3.40 116.57 115.72 1oi8 h LYS 177 Ca -0.00 -0.33 -0.24 0.00 -1.27 0.00 0.00 60.65 58.81 1oi8 h LYS 177 Cb 0.59 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 1oi8 h LYS 177 CO 0.02 1.10 -2.10 0.44 -2.27 0.00 0.00 179.45 176.64 1oi8 n ILE 178 N -3.44 1.03 -1.49 2.00 -5.35 -0.76 -5.00 119.36 106.35 1oi8 n ILE 178 Ca -0.10 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 1oi8 n ILE 178 Cb 1.01 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.49 1oi8 n ILE 178 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oi8 n GLY 179 N 1.56 -0.01 3.66 3.28 0.00 -0.81 -4.74 105.19 108.14 1oi8 n GLY 179 Ca -0.21 -1.82 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1oi8 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oi8 s ASN 180 N -1.00 6.89 0.52 1.61 3.84 -1.26 -4.85 114.94 120.69 1oi8 s ASN 180 Ca 0.00 1.73 0.23 0.00 0.21 0.00 0.00 52.86 55.03 1oi8 s ASN 180 Cb 0.00 -2.54 1.42 0.00 -0.55 0.00 0.00 41.25 39.58 1oi8 s ASN 180 CO 0.00 -0.81 2.13 1.55 -2.79 0.00 0.00 177.10 177.18 1oi8 h PRO 181 N 8.47 0.00 0.00 0.43 0.13 -1.89 -1.90 132.00 137.24 1oi8 h PRO 181 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1oi8 h PRO 181 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 1oi8 h PRO 181 CO 0.97 0.08 -0.01 0.93 -0.23 0.00 0.00 178.00 179.74 1oi8 h GLU 182 N 0.00 0.00 0.00 0.86 5.08 -1.92 -0.13 114.58 118.47 1oi8 h GLU 182 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1oi8 h GLU 182 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1oi8 h GLU 182 CO 0.01 0.01 0.00 1.88 -1.00 0.00 0.00 179.01 179.91 1oi8 h TYR 183 N 0.00 0.00 -0.16 4.33 0.05 -1.74 -3.35 116.97 116.09 1oi8 h TYR 183 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1oi8 h TYR 183 Cb 0.40 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.14 1oi8 h TYR 183 CO 0.00 0.00 0.00 1.19 -1.05 0.00 0.00 178.16 178.30 1oi8 n PHE 184 N -2.65 0.30 -0.11 4.88 3.72 -0.07 -4.75 117.46 118.78 1oi8 n PHE 184 Ca 0.04 -0.62 0.02 0.00 -0.05 0.00 0.00 57.45 56.84 1oi8 n PHE 184 Cb 0.41 -0.09 0.32 0.00 -0.94 0.00 0.00 39.48 39.18 1oi8 n PHE 184 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1oi8 h THR 185 N 0.99 1.16 -0.57 4.37 1.35 -1.67 -1.88 112.91 116.66 1oi8 h THR 185 Ca 0.00 -0.35 -0.35 0.00 -0.55 0.00 0.00 66.41 65.16 1oi8 h THR 185 Cb 0.78 0.35 -0.21 0.00 -1.73 0.00 0.00 68.15 67.34 1oi8 h THR 185 CO 0.03 0.17 -0.02 -0.67 -0.25 0.00 0.00 175.52 174.78 1oi8 n ASP 186 N -4.42 3.72 -4.00 5.36 2.03 -1.26 -4.99 116.55 112.98 1oi8 n ASP 186 Ca 0.05 -3.78 -0.20 0.00 0.52 0.00 0.00 54.79 51.38 1oi8 n ASP 186 Cb 0.07 -0.65 -0.16 0.00 -0.72 0.00 0.00 41.12 39.66 1oi8 n ASP 186 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1oi8 s ILE 187 N -3.72 0.79 -0.02 5.18 1.01 -0.71 -2.24 121.20 121.50 1oi8 s ILE 187 Ca 0.50 -0.36 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1oi8 s ILE 187 Cb 0.43 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 42.18 1oi8 s ILE 187 CO 0.01 0.25 -0.22 -0.70 0.00 0.00 0.00 174.94 174.28 1oi8 s GLU 188 N 0.23 1.82 -0.29 2.79 2.12 0.15 -4.83 118.70 120.70 1oi8 s GLU 188 Ca -0.04 -0.79 -0.12 0.00 0.36 0.00 0.00 54.97 54.39 1oi8 s GLU 188 Cb -0.09 -1.74 -0.04 0.00 0.26 0.00 0.00 34.13 32.52 1oi8 s GLU 188 CO 0.01 0.46 0.23 -0.06 -0.54 0.00 0.00 175.26 175.36 1oi8 s PHE 189 N -0.48 3.22 0.48 5.30 0.40 -1.26 -0.82 117.98 124.82 1oi8 s PHE 189 Ca 0.08 0.11 -0.21 0.00 -0.60 0.00 0.00 56.93 56.31 1oi8 s PHE 189 Cb -0.09 -2.43 -0.08 0.00 0.51 0.00 0.00 43.02 40.93 1oi8 s PHE 189 CO -0.01 -0.20 1.06 0.50 0.70 0.00 0.00 175.22 177.28 1oi8 s ARG 190 N 1.81 3.77 -0.16 0.44 3.52 0.16 -4.98 118.95 123.50 1oi8 s ARG 190 Ca 0.08 1.45 -0.37 0.00 -0.13 0.00 0.00 55.73 56.77 1oi8 s ARG 190 Cb -0.16 -2.16 -0.13 0.00 -1.56 0.00 0.00 34.95 30.94 1oi8 s ARG 190 CO 0.11 -0.48 1.83 1.17 -0.81 0.00 0.00 175.30 177.12 1oi8 n LYS 191 N -0.88 1.77 0.11 5.12 4.81 -1.26 -4.74 118.16 123.10 1oi8 n LYS 191 Ca 0.09 0.65 0.04 0.00 -0.87 0.00 0.00 58.31 58.22 1oi8 n LYS 191 Cb 0.52 -2.43 0.47 0.00 0.02 0.00 0.00 35.03 33.61 1oi8 n LYS 191 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1oi8 h PRO 192 N 8.39 0.28 -0.65 1.64 0.13 -1.93 -2.16 132.00 137.71 1oi8 h PRO 192 Ca -0.48 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 1oi8 h PRO 192 Cb 1.29 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1oi8 h PRO 192 CO 0.95 0.27 0.22 0.00 -0.23 0.00 0.00 178.00 179.21 1oi8 h ALA 193 N 1.78 0.84 -0.22 -0.56 0.00 -1.92 -1.07 119.26 118.11 1oi8 h ALA 193 Ca 0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1oi8 h ALA 193 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1oi8 h ALA 193 CO -0.00 0.49 0.13 -0.44 0.00 0.00 0.00 179.25 179.43 1oi8 h ASP 194 N 0.92 0.27 -0.72 0.00 3.32 -1.79 -2.17 116.42 116.24 1oi8 h ASP 194 Ca 0.21 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.22 1oi8 h ASP 194 Cb 0.26 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 1oi8 h ASP 194 CO -0.01 0.24 0.48 -0.08 -1.72 0.00 0.00 179.24 178.15 1oi8 h GLU 195 N 0.27 0.93 -0.40 3.56 4.57 -1.13 -2.71 114.58 119.67 1oi8 h GLU 195 Ca 0.08 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1oi8 h GLU 195 Cb 0.03 -0.21 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 1oi8 h GLU 195 CO -0.01 0.61 0.13 0.00 -1.18 0.00 0.00 179.01 178.56 1oi8 h ALA 196 N 1.56 0.52 -0.61 2.92 0.00 -0.71 -0.44 119.26 122.50 1oi8 h ALA 196 Ca 0.27 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1oi8 h ALA 196 Cb -0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 1oi8 h ALA 196 CO -0.06 0.16 0.16 0.87 0.00 0.00 0.00 179.25 180.38 1oi8 h LYS 197 N 0.50 0.30 -0.37 0.00 1.57 -1.19 -0.10 116.57 117.27 1oi8 h LYS 197 Ca 0.13 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1oi8 h LYS 197 Cb 0.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1oi8 h LYS 197 CO -0.01 0.20 -0.14 -0.07 -0.57 0.00 0.00 179.45 178.86 1oi8 h LEU 198 N 0.31 0.76 -0.27 2.94 3.38 -1.12 -1.92 115.31 119.38 1oi8 h LEU 198 Ca 0.32 -0.39 -0.19 0.00 0.09 0.00 0.00 57.88 57.70 1oi8 h LEU 198 Cb 0.45 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1oi8 h LEU 198 CO -0.37 0.98 -0.61 0.58 0.09 0.00 0.00 178.44 179.11 1oi8 h VAL 199 N 0.54 1.28 -0.20 1.22 2.07 -0.72 -1.29 116.25 119.13 1oi8 h VAL 199 Ca 0.09 -1.79 0.03 0.00 0.82 0.00 0.00 66.70 65.84 1oi8 h VAL 199 Cb 0.67 1.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1oi8 h VAL 199 CO 0.05 0.58 0.05 0.40 0.02 0.00 0.00 177.57 178.66 1oi8 h ILE 200 N 0.63 0.92 -0.43 4.57 2.04 -1.02 0.02 117.51 124.23 1oi8 h ILE 200 Ca -0.00 -0.04 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1oi8 h ILE 200 Cb 1.22 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.03 1oi8 h ILE 200 CO 0.13 0.02 0.21 1.56 0.00 0.00 0.00 178.15 180.07 1oi8 h GLN 201 N 0.13 0.40 -0.48 2.37 4.20 -1.25 0.21 115.11 120.69 1oi8 h GLN 201 Ca 0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1oi8 h GLN 201 Cb 0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1oi8 h GLN 201 CO -0.12 0.27 0.25 1.49 -0.67 0.00 0.00 178.83 180.05 1oi8 h GLU 202 N 0.42 0.68 -0.63 1.46 4.81 -0.94 -2.55 114.58 117.83 1oi8 h GLU 202 Ca 0.19 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1oi8 h GLU 202 Cb 0.11 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1oi8 h GLU 202 CO -0.14 0.56 0.41 -0.07 -0.73 0.00 0.00 179.01 179.03 1oi8 h LEU 203 N 0.63 0.70 -2.16 1.64 3.38 -0.38 -2.20 115.31 116.92 1oi8 h LEU 203 Ca 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1oi8 h LEU 203 Cb 0.09 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1oi8 h LEU 203 CO -0.02 0.50 -0.06 1.56 0.09 0.00 0.00 178.44 180.51 1oi8 h GLN 204 N 0.83 0.00 -0.01 1.13 4.20 -0.21 0.26 115.11 121.32 1oi8 h GLN 204 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1oi8 h GLN 204 Cb -0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1oi8 h GLN 204 CO -0.06 0.06 -0.61 1.04 -0.67 0.00 0.00 178.83 178.59 1oi8 n GLN 205 N -3.49 1.25 0.00 1.46 1.13 -0.93 -4.64 117.38 112.16 1oi8 n GLN 205 Ca -0.02 -0.51 0.00 0.00 -1.94 0.00 0.00 57.00 54.53 1oi8 n GLN 205 Cb 0.19 -1.37 0.00 0.00 0.11 0.00 0.00 30.24 29.17 1oi8 n GLN 205 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 1oi8 n THR 206 N -0.67 0.00 0.18 5.09 -2.24 -0.88 -4.91 114.28 110.86 1oi8 n THR 206 Ca 0.06 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1oi8 n THR 206 Cb 0.35 -0.09 0.34 0.00 -2.10 0.00 0.00 70.33 68.83 1oi8 n THR 206 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1oi8 h GLU 207 N 0.00 0.00 -6.18 -0.78 4.39 -1.68 -3.47 114.58 106.86 1oi8 h GLU 207 Ca 0.00 0.00 -0.42 0.00 0.34 0.00 0.00 59.36 59.28 1oi8 h GLU 207 Cb 0.00 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 28.73 1oi8 h GLU 207 CO 0.00 0.40 -0.93 1.63 -1.16 0.00 0.00 179.01 178.95 1oi8 n LYS 208 N -4.04 -1.61 -1.97 2.33 5.02 0.89 -4.93 118.16 113.85 1oi8 n LYS 208 Ca -0.02 0.49 -0.36 0.00 -2.02 0.00 0.00 58.31 56.40 1oi8 n LYS 208 Cb 0.43 -4.32 0.04 0.00 -0.02 0.00 0.00 35.03 31.16 1oi8 n LYS 208 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1oi8 s PRO 209 N -5.91 2.98 0.30 1.97 0.04 -1.26 -4.93 135.00 128.18 1oi8 s PRO 209 Ca 0.42 1.89 0.08 0.00 0.04 0.00 0.00 61.00 63.44 1oi8 s PRO 209 Cb -0.14 -1.97 0.46 0.00 0.04 0.00 0.00 34.50 32.88 1oi8 s PRO 209 CO 0.85 -1.22 1.69 -0.44 0.04 0.00 0.00 177.00 177.92 1oi8 h ASP 210 N 0.96 0.15 -3.50 6.66 3.32 -1.28 -3.45 116.42 119.29 1oi8 h ASP 210 Ca -0.51 -0.07 -0.34 0.00 0.02 0.00 0.00 57.03 56.13 1oi8 h ASP 210 Cb 1.30 -0.04 -0.34 0.00 0.22 0.00 0.00 39.33 40.47 1oi8 h ASP 210 CO 0.55 0.60 -0.75 -0.63 -1.72 0.00 0.00 179.24 177.30 1oi8 s ILE 211 N -3.98 0.18 -0.12 0.35 1.01 -0.85 -4.91 121.20 112.89 1oi8 s ILE 211 Ca -0.03 0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1oi8 s ILE 211 Cb 0.13 -0.27 -0.00 0.00 0.01 0.00 0.00 42.46 42.32 1oi8 s ILE 211 CO 0.76 0.14 -0.20 -0.63 0.00 0.00 0.00 174.94 175.02 1oi8 s ILE 212 N 0.99 2.43 -0.04 2.92 1.01 -1.26 -0.45 121.20 126.79 1oi8 s ILE 212 Ca -0.10 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.71 1oi8 s ILE 212 Cb -0.13 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 1oi8 s ILE 212 CO -0.02 0.54 -0.16 -0.63 0.00 0.00 0.00 174.94 174.68 1oi8 s ILE 213 N 0.42 1.33 -0.23 2.92 1.01 0.13 -0.81 121.20 125.97 1oi8 s ILE 213 Ca -0.14 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.72 1oi8 s ILE 213 Cb -0.17 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 1oi8 s ILE 213 CO 0.06 0.39 0.24 0.00 0.00 0.00 0.00 174.94 175.63 1oi8 s ALA 214 N 0.03 3.59 -0.30 9.38 0.00 -0.85 -0.71 121.76 132.91 1oi8 s ALA 214 Ca -0.03 -0.78 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 1oi8 s ALA 214 Cb -0.11 -2.43 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 1oi8 s ALA 214 CO 0.02 -0.24 0.37 0.00 0.00 0.00 0.00 175.76 175.91 1oi8 s ALA 215 N 1.16 3.54 0.10 0.00 0.00 0.95 -0.83 121.76 126.67 1oi8 s ALA 215 Ca 0.11 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1oi8 s ALA 215 Cb -0.14 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1oi8 s ALA 215 CO 0.06 -0.81 -0.12 0.95 0.00 0.00 0.00 175.76 175.84 1oi8 s THR 216 N 2.05 1.09 -0.58 0.00 -4.23 -0.19 -1.36 115.64 112.43 1oi8 s THR 216 Ca 0.14 -1.60 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 1oi8 s THR 216 Cb -0.16 -1.35 0.20 0.00 1.34 0.00 0.00 72.50 72.53 1oi8 s THR 216 CO 0.11 -0.45 0.53 1.57 -0.54 0.00 0.00 174.62 175.84 1oi8 n HIS 217 N 0.69 1.88 0.00 3.99 -0.00 -0.29 -2.72 115.22 118.77 1oi8 n HIS 217 Ca -0.17 -3.93 0.00 0.00 0.46 0.00 0.00 57.72 54.08 1oi8 n HIS 217 Cb 0.57 -0.37 0.00 0.00 -0.12 0.00 0.00 29.99 30.07 1oi8 n HIS 217 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 1oi8 n MET 218 N 1.77 1.61 0.00 1.57 2.00 -1.25 -1.15 117.12 121.68 1oi8 n MET 218 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.95 1oi8 n MET 218 Cb 0.42 -0.74 0.00 0.00 0.00 0.00 0.00 33.22 32.91 1oi8 n MET 218 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1oi8 n GLY 219 N 1.79 2.55 3.50 3.03 0.00 -0.76 -4.43 105.19 110.88 1oi8 n GLY 219 Ca 0.00 -1.64 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 1oi8 n GLY 219 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1oi8 s HIS 220 N -1.42 3.15 -0.11 1.61 2.46 -1.26 -1.22 115.29 118.50 1oi8 s HIS 220 Ca 0.00 -0.24 0.03 0.00 0.47 0.00 0.00 55.06 55.32 1oi8 s HIS 220 Cb 0.00 -2.31 0.01 0.00 -0.13 0.00 0.00 32.58 30.15 1oi8 s HIS 220 CO 0.00 -0.30 -0.20 0.71 -2.47 0.00 0.00 174.74 172.48 1oi8 s TYR 221 N 1.67 2.32 -0.05 3.88 2.02 -1.26 -4.91 117.35 121.02 1oi8 s TYR 221 Ca 0.06 -1.04 -0.38 0.00 -0.37 0.00 0.00 57.07 55.35 1oi8 s TYR 221 Cb -0.16 -1.59 -0.16 0.00 -0.40 0.00 0.00 41.96 39.65 1oi8 s TYR 221 CO 0.07 -0.47 1.51 -0.25 -1.57 0.00 0.00 175.55 174.84 1oi8 n ASP 222 N 3.85 2.00 -2.27 2.29 8.00 -1.26 -1.02 116.55 128.13 1oi8 n ASP 222 Ca -0.20 1.10 -0.17 0.00 0.71 0.00 0.00 54.79 56.23 1oi8 n ASP 222 Cb 0.52 -1.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.42 1oi8 n ASP 222 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1oi8 n ASN 223 N 3.67 -4.91 -1.86 -2.24 5.15 -1.23 -1.13 115.26 112.71 1oi8 n ASN 223 Ca 0.21 0.13 -0.20 0.00 -0.60 0.00 0.00 54.58 54.13 1oi8 n ASN 223 Cb 0.17 -4.16 -0.05 0.00 -0.53 0.00 0.00 39.78 35.21 1oi8 n ASN 223 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1oi8 n GLY 224 N -0.82 0.78 3.24 8.20 0.00 -0.19 -4.93 105.19 111.47 1oi8 n GLY 224 Ca -0.20 -0.06 -0.44 0.00 0.00 0.00 0.00 46.02 45.32 1oi8 n GLY 224 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1oi8 n GLU 225 N -2.65 3.59 0.15 1.61 1.02 -0.29 -4.79 120.64 119.29 1oi8 n GLU 225 Ca -0.21 -3.95 0.13 0.00 -0.02 0.00 0.00 57.16 53.11 1oi8 n GLU 225 Cb 0.66 -2.87 0.40 0.00 -0.02 0.00 0.00 31.44 29.62 1oi8 n GLU 225 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 1oi8 h HIS 226 N 6.49 0.00 0.00 -0.32 2.07 -1.87 -3.43 115.15 118.10 1oi8 h HIS 226 Ca 0.30 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.82 1oi8 h HIS 226 Cb 0.78 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.76 1oi8 h HIS 226 CO 1.07 0.00 0.00 0.41 -3.07 0.00 0.00 177.93 176.34 1oi8 n GLY 227 N 0.86 3.67 0.05 6.13 0.00 -1.26 -1.60 105.19 113.03 1oi8 n GLY 227 Ca 0.04 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1oi8 n GLY 227 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1oi8 n SER 228 N 6.36 0.41 -4.78 1.61 7.64 -1.26 -4.78 113.62 118.82 1oi8 n SER 228 Ca 0.00 0.45 -0.34 0.00 1.01 0.00 0.00 58.87 60.00 1oi8 n SER 228 Cb 0.00 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 62.70 1oi8 n SER 228 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1oi8 s ASN 229 N -3.70 5.54 0.53 6.43 0.01 -0.63 -5.04 114.94 118.09 1oi8 s ASN 229 Ca 0.12 2.01 -0.21 0.00 -0.71 0.00 0.00 52.86 54.07 1oi8 s ASN 229 Cb 0.16 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 1oi8 s ASN 229 CO 0.58 -1.33 1.24 0.00 -1.51 0.00 0.00 177.10 176.08 1oi8 s ALA 230 N -2.16 2.78 0.29 0.60 0.00 -1.26 -4.81 121.76 117.21 1oi8 s ALA 230 Ca 0.68 1.08 -0.28 0.00 0.00 0.00 0.00 51.96 53.44 1oi8 s ALA 230 Cb -0.20 -3.46 -0.14 0.00 0.00 0.00 0.00 23.12 19.32 1oi8 s ALA 230 CO 0.34 -1.05 1.07 -2.30 0.00 0.00 0.00 175.76 173.83 1oi8 n PRO 231 N -1.03 1.49 0.00 0.00 -0.02 -1.26 -4.95 135.00 129.24 1oi8 n PRO 231 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 1oi8 n PRO 231 Cb 0.48 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1oi8 n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oi8 n GLY 232 N 1.20 5.33 0.15 -1.23 0.00 -1.26 -4.95 105.19 104.44 1oi8 n GLY 232 Ca 0.09 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.13 1oi8 n GLY 232 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1oi8 h ASP 233 N 0.00 0.26 -0.31 1.61 3.32 -1.42 -1.89 116.42 117.98 1oi8 h ASP 233 Ca 0.00 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1oi8 h ASP 233 Cb 0.00 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1oi8 h ASP 233 CO 0.00 0.19 0.19 0.58 -1.72 0.00 0.00 179.24 178.48 1oi8 h VAL 234 N 0.36 1.04 -0.49 -1.35 2.07 -1.87 -0.12 116.25 115.89 1oi8 h VAL 234 Ca 0.14 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1oi8 h VAL 234 Cb 0.04 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1oi8 h VAL 234 CO -0.09 0.07 0.17 -0.33 0.02 0.00 0.00 177.57 177.41 1oi8 h GLU 235 N 0.38 0.75 -0.59 1.57 3.07 -1.89 -1.80 114.58 116.07 1oi8 h GLU 235 Ca 0.12 -0.15 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1oi8 h GLU 235 Cb -0.01 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 27.76 1oi8 h GLU 235 CO -0.05 0.69 0.37 1.98 -1.40 0.00 0.00 179.01 180.59 1oi8 h MET 236 N 0.65 0.79 -0.56 2.33 4.05 -1.13 -1.51 114.93 119.54 1oi8 h MET 236 Ca 0.16 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.50 1oi8 h MET 236 Cb 0.24 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.84 1oi8 h MET 236 CO -0.01 0.55 0.27 0.00 0.23 0.00 0.00 176.91 177.95 1oi8 h ALA 237 N 1.19 1.42 0.00 0.39 0.00 -0.39 -0.78 119.26 121.09 1oi8 h ALA 237 Ca 0.21 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 1oi8 h ALA 237 Cb -0.04 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1oi8 h ALA 237 CO -0.04 0.46 -0.77 0.00 0.00 0.00 0.00 179.25 178.90 1oi8 h ARG 238 N 0.79 0.00 0.00 0.00 3.08 -1.09 -3.17 114.38 113.99 1oi8 h ARG 238 Ca 0.20 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 1oi8 h ARG 238 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1oi8 h ARG 238 CO -0.03 0.77 -0.68 0.00 -1.07 0.00 0.00 179.97 178.97 1oi8 h ALA 239 N 1.23 0.70 -2.34 0.04 0.00 -0.22 -3.47 119.26 115.21 1oi8 h ALA 239 Ca -0.01 -0.42 -0.50 0.00 0.00 0.00 0.00 54.91 53.98 1oi8 h ALA 239 Cb 1.39 0.02 0.05 0.00 0.00 0.00 0.00 17.79 19.25 1oi8 h ALA 239 CO 0.10 0.52 0.39 -0.51 0.00 0.00 0.00 179.25 179.75 1oi8 s LEU 240 N -6.15 3.31 0.24 0.00 1.43 -0.40 -5.00 118.68 112.10 1oi8 s LEU 240 Ca 0.02 1.40 -0.31 0.00 -1.03 0.00 0.00 54.13 54.21 1oi8 s LEU 240 Cb 0.08 -4.43 -0.14 0.00 0.03 0.00 0.00 46.19 41.73 1oi8 s LEU 240 CO 0.75 -0.82 1.35 -2.65 0.23 0.00 0.00 176.35 175.21 1oi8 n PRO 241 N -2.58 1.88 -1.55 1.29 -0.02 -1.26 -4.86 135.00 127.90 1oi8 n PRO 241 Ca 0.06 0.67 -0.57 0.00 -2.02 0.00 0.00 63.50 61.63 1oi8 n PRO 241 Cb 0.54 -2.28 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1oi8 n PRO 241 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oi8 n ALA 242 N 1.66 -2.52 -1.17 3.55 0.00 -1.26 -1.53 120.51 119.24 1oi8 n ALA 242 Ca 0.12 0.56 -0.06 0.00 0.00 0.00 0.00 53.44 54.06 1oi8 n ALA 242 Cb 0.31 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.84 1oi8 n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oi8 n GLY 243 N 2.11 0.75 0.16 0.00 0.00 -1.22 -4.89 105.19 102.11 1oi8 n GLY 243 Ca 0.21 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 1oi8 n GLY 243 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1oi8 h SER 244 N 0.00 0.05 -4.33 1.61 4.64 -1.61 -3.42 113.55 110.48 1oi8 h SER 244 Ca -0.12 -0.02 -0.68 0.00 -0.47 0.00 0.00 61.79 60.50 1oi8 h SER 244 Cb 0.66 -0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.44 1oi8 h SER 244 CO 0.18 0.54 -0.88 -0.76 -0.87 0.00 0.00 176.83 175.03 1oi8 s LEU 245 N -7.93 2.05 0.10 5.97 1.43 -1.26 -4.65 118.68 114.39 1oi8 s LEU 245 Ca -0.02 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 52.42 1oi8 s LEU 245 Cb 0.13 -1.30 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 1oi8 s LEU 245 CO 0.75 0.28 1.65 0.00 0.23 0.00 0.00 176.35 179.26 1oi8 h ALA 246 N 5.76 0.31 -2.94 4.21 0.00 -1.23 -3.42 119.26 121.95 1oi8 h ALA 246 Ca -0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1oi8 h ALA 246 Cb 1.15 -0.09 -0.12 0.00 0.00 0.00 0.00 17.79 18.72 1oi8 h ALA 246 CO 0.47 -0.10 0.14 0.00 0.00 0.00 0.00 179.25 179.76 1oi8 s MET 247 N -5.59 1.26 -0.22 0.00 0.00 -1.26 -3.14 119.30 110.35 1oi8 s MET 247 Ca -0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 55.69 54.95 1oi8 s MET 247 Cb 0.08 0.56 -0.01 0.00 0.00 0.00 0.00 34.83 35.46 1oi8 s MET 247 CO 0.72 -0.54 -0.02 0.42 0.00 0.00 0.00 175.02 175.59 1oi8 s ILE 248 N -3.78 3.61 -0.39 3.16 1.01 0.14 -2.00 121.20 122.96 1oi8 s ILE 248 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 1oi8 s ILE 248 Cb -0.01 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1oi8 s ILE 248 CO -0.11 0.42 0.40 -0.69 0.00 0.00 0.00 174.94 174.95 1oi8 s VAL 249 N 1.36 5.13 0.00 2.92 1.01 -0.01 -1.24 120.40 129.56 1oi8 s VAL 249 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 1oi8 s VAL 249 Cb -0.14 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.29 1oi8 s VAL 249 CO -0.01 -0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.42 1oi8 n GLY 250 N 5.04 3.87 0.00 4.51 0.00 -0.12 -1.02 105.19 117.47 1oi8 n GLY 250 Ca -0.08 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 43.81 1oi8 n GLY 250 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 251 N 5.00 -1.24 4.80 -0.02 0.00 -1.10 -4.36 105.19 108.27 1oi8 n GLY 251 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1oi8 n GLY 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1oi8 n HIS 252 N 0.45 0.00 0.23 1.61 -0.00 -1.26 -1.83 115.22 114.42 1oi8 n HIS 252 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1oi8 n HIS 252 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 29.99 30.52 1oi8 n HIS 252 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1oi8 h SER 253 N 0.00 0.00 -5.43 0.26 4.64 -1.91 -3.48 113.55 107.63 1oi8 h SER 253 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1oi8 h SER 253 Cb 0.00 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1oi8 h SER 253 CO 0.00 0.21 -0.27 0.00 -0.87 0.00 0.00 176.83 175.90 1oi8 n GLN 254 N -3.47 -1.57 -4.21 4.77 6.02 -1.26 -5.00 117.38 112.67 1oi8 n GLN 254 Ca -0.00 1.30 -0.19 0.00 -0.01 0.00 0.00 57.00 58.09 1oi8 n GLN 254 Cb 0.38 -5.69 -0.12 0.00 1.02 0.00 0.00 30.24 25.83 1oi8 n GLN 254 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1oi8 s ASP 255 N -3.11 1.90 -0.34 1.08 1.01 -1.25 -4.83 116.67 111.13 1oi8 s ASP 255 Ca 0.13 -0.66 -0.29 0.00 0.71 0.00 0.00 52.55 52.44 1oi8 s ASP 255 Cb -0.02 -0.07 0.02 0.00 1.01 0.00 0.00 42.92 43.86 1oi8 s ASP 255 CO 0.75 -0.06 1.11 -2.16 0.21 0.00 0.00 175.17 175.02 1oi8 s PRO 256 N -1.92 4.01 -1.10 8.23 0.04 -1.26 -1.07 135.00 141.92 1oi8 s PRO 256 Ca 0.01 1.03 -0.21 0.00 0.04 0.00 0.00 61.00 61.87 1oi8 s PRO 256 Cb -0.09 -3.77 0.06 0.00 0.04 0.00 0.00 34.50 30.73 1oi8 s PRO 256 CO 0.03 -0.99 1.52 0.08 0.04 0.00 0.00 177.00 177.69 1oi8 s VAL 257 N 3.83 4.00 -0.18 -0.36 1.01 -0.76 -4.89 120.40 123.05 1oi8 s VAL 257 Ca 0.47 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1oi8 s VAL 257 Cb -0.12 -5.09 0.04 0.00 0.00 0.00 0.00 36.38 31.21 1oi8 s VAL 257 CO 0.18 -1.95 -0.07 0.00 0.00 0.00 0.00 175.10 173.26 1oi8 s MET 259 N 1.54 4.39 -0.03 0.00 -1.94 0.34 -0.62 119.30 122.97 1oi8 s MET 259 Ca -0.00 0.80 -0.09 0.00 -1.71 0.00 0.00 55.69 54.70 1oi8 s MET 259 Cb -0.16 -3.39 -0.30 0.00 2.01 0.00 0.00 34.83 32.99 1oi8 s MET 259 CO -0.08 0.23 0.75 0.00 -0.01 0.00 0.00 175.02 175.91 1oi8 h ALA 260 N 6.13 0.17 -3.76 3.03 0.00 -0.28 -3.43 119.26 121.12 1oi8 h ALA 260 Ca -0.43 -1.12 -0.22 0.00 0.00 0.00 0.00 54.91 53.14 1oi8 h ALA 260 Cb 1.20 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1oi8 h ALA 260 CO 0.72 1.04 -0.08 0.00 0.00 0.00 0.00 179.25 180.93 1oi8 n ALA 261 N -2.79 -0.50 -1.66 0.00 0.00 -1.10 -5.00 120.51 109.46 1oi8 n ALA 261 Ca -0.22 -1.43 -0.46 0.00 0.00 0.00 0.00 53.44 51.33 1oi8 n ALA 261 Cb 1.07 1.15 -0.03 0.00 0.00 0.00 0.00 19.45 21.64 1oi8 n ALA 261 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1oi8 n GLU 262 N -0.52 1.97 -2.35 0.00 2.13 -1.26 -2.02 120.64 118.58 1oi8 n GLU 262 Ca -0.01 0.70 -0.11 0.00 0.66 0.00 0.00 57.16 58.41 1oi8 n GLU 262 Cb 0.54 -2.38 -0.01 0.00 0.27 0.00 0.00 31.44 29.85 1oi8 n GLU 262 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1oi8 n ASN 263 N 2.54 -3.47 -3.53 4.31 3.02 -1.26 -4.96 115.26 111.92 1oi8 n ASN 263 Ca 0.14 0.24 -0.21 0.00 -0.03 0.00 0.00 54.58 54.72 1oi8 n ASN 263 Cb 0.30 -2.99 -0.14 0.00 -0.61 0.00 0.00 39.78 36.33 1oi8 n ASN 263 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1oi8 s LYS 264 N -4.85 0.16 0.36 3.52 1.02 -0.86 -3.54 119.74 115.55 1oi8 s LYS 264 Ca 0.00 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.81 1oi8 s LYS 264 Cb 0.00 -1.38 -0.12 0.00 -0.52 0.00 0.00 37.83 35.81 1oi8 s LYS 264 CO 0.00 -0.68 1.37 1.63 -0.92 0.00 0.00 175.35 176.75 1oi8 n LYS 265 N 5.31 2.33 -1.57 1.68 5.02 -1.26 0.40 118.16 130.07 1oi8 n LYS 265 Ca -0.06 0.82 -0.44 0.00 -2.02 0.00 0.00 58.31 56.61 1oi8 n LYS 265 Cb 0.49 -2.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.03 1oi8 n LYS 265 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1oi8 n GLN 266 N 0.47 1.19 -0.03 1.97 6.02 0.21 -4.50 117.38 122.70 1oi8 n GLN 266 Ca 0.03 0.42 -0.15 0.00 -0.01 0.00 0.00 57.00 57.30 1oi8 n GLN 266 Cb 0.37 -1.80 -0.14 0.00 1.02 0.00 0.00 30.24 29.69 1oi8 n GLN 266 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1oi8 n VAL 267 N -0.06 1.63 -3.38 5.09 0.31 -1.26 -4.46 118.33 116.21 1oi8 n VAL 267 Ca 0.10 -0.72 -0.27 0.00 -0.01 0.00 0.00 64.34 63.44 1oi8 n VAL 267 Cb 0.34 -1.28 -0.08 0.00 -0.91 0.00 0.00 33.84 31.91 1oi8 n VAL 267 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1oi8 n ASP 268 N -3.20 3.22 -4.65 4.52 8.00 -1.26 -5.07 116.55 118.11 1oi8 n ASP 268 Ca -0.28 -3.33 -0.46 0.00 0.71 0.00 0.00 54.79 51.42 1oi8 n ASP 268 Cb 1.06 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1oi8 n ASP 268 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1oi8 n TYR 269 N 0.92 1.99 -3.64 1.24 9.36 -1.26 -4.95 117.16 120.80 1oi8 n TYR 269 Ca 0.29 0.45 -0.37 0.00 3.32 0.00 0.00 57.90 61.59 1oi8 n TYR 269 Cb 0.43 -2.44 -0.10 0.00 -0.63 0.00 0.00 39.34 36.60 1oi8 n TYR 269 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1oi8 s VAL 270 N 0.20 5.33 0.23 2.97 1.01 -1.26 -5.07 120.40 123.80 1oi8 s VAL 270 Ca 0.73 0.17 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 1oi8 s VAL 270 Cb -0.72 -3.50 -0.14 0.00 0.00 0.00 0.00 36.38 32.02 1oi8 s VAL 270 CO 0.47 0.32 1.25 -2.65 0.00 0.00 0.00 175.10 174.49 1oi8 n PRO 271 N 4.52 1.60 -0.22 2.72 -0.02 -1.26 -2.79 135.00 139.55 1oi8 n PRO 271 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1oi8 n PRO 271 Cb 0.52 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 1oi8 n PRO 271 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oi8 n GLY 272 N 1.89 0.65 3.88 -1.23 0.00 -1.26 -4.93 105.19 104.19 1oi8 n GLY 272 Ca 0.12 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.93 1oi8 n GLY 272 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oi8 s THR 273 N -2.48 4.67 0.72 2.61 -4.23 -1.12 -5.06 115.64 110.74 1oi8 s THR 273 Ca 0.00 -1.24 -0.16 0.00 -1.18 0.00 0.00 61.69 59.11 1oi8 s THR 273 Cb 0.00 -3.55 -0.00 0.00 1.34 0.00 0.00 72.50 70.28 1oi8 s THR 273 CO 0.00 -0.33 0.87 -2.65 -0.54 0.00 0.00 174.62 171.98 1oi8 n PRO 274 N -1.29 0.47 -3.90 3.99 -0.02 -1.26 -4.80 135.00 128.19 1oi8 n PRO 274 Ca -0.08 0.21 -0.24 0.00 -2.02 0.00 0.00 63.50 61.37 1oi8 n PRO 274 Cb 0.58 -2.13 -0.17 0.00 -0.02 0.00 0.00 33.50 31.75 1oi8 n PRO 274 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oi8 s LYS 276 N 1.71 3.27 0.83 0.00 2.20 -1.26 -4.68 119.74 121.81 1oi8 s LYS 276 Ca 0.03 -0.72 -0.11 0.00 -0.36 0.00 0.00 55.97 54.80 1oi8 s LYS 276 Cb -0.13 -3.89 0.09 0.00 -1.51 0.00 0.00 37.83 32.39 1oi8 s LYS 276 CO -0.06 -0.64 1.09 -1.25 -0.36 0.00 0.00 175.35 174.13 1oi8 s PRO 277 N 1.88 1.80 0.47 4.03 0.04 -1.26 -0.51 135.00 141.45 1oi8 s PRO 277 Ca 0.09 0.88 -0.14 0.00 0.04 0.00 0.00 61.00 61.86 1oi8 s PRO 277 Cb -0.18 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.42 1oi8 s PRO 277 CO 0.11 -1.88 0.89 0.34 0.04 0.00 0.00 177.00 176.51 1oi8 s ASP 278 N -3.55 6.58 -0.06 6.66 2.15 -0.79 -4.74 116.67 122.93 1oi8 s ASP 278 Ca 0.62 1.38 -0.02 0.00 0.43 0.00 0.00 52.55 54.96 1oi8 s ASP 278 Cb -0.17 -2.43 0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1oi8 s ASP 278 CO 0.56 -0.50 0.11 -1.58 -0.17 0.00 0.00 175.17 173.58 1oi8 s GLN 279 N -3.96 -0.01 -0.08 4.34 0.74 -1.26 -0.87 119.66 118.56 1oi8 s GLN 279 Ca 0.56 0.43 -0.01 0.00 0.05 0.00 0.00 55.36 56.39 1oi8 s GLN 279 Cb -0.10 -0.35 0.03 0.00 1.10 0.00 0.00 33.01 33.69 1oi8 s GLN 279 CO 0.31 -0.29 -0.00 -0.65 -0.55 0.00 0.00 175.29 174.11 1oi8 s GLN 280 N 2.00 0.64 -1.39 1.67 -1.52 -0.32 -4.80 119.66 115.94 1oi8 s GLN 280 Ca 0.01 0.08 -0.09 0.00 -1.95 0.00 0.00 55.36 53.42 1oi8 s GLN 280 Cb -0.12 -1.02 0.03 0.00 -0.22 0.00 0.00 33.01 31.68 1oi8 s GLN 280 CO -0.04 -0.31 1.06 -1.71 -0.25 0.00 0.00 175.29 174.04 1oi8 n ASN 281 N 5.14 -4.94 0.00 5.90 5.15 -1.26 -1.15 115.26 124.09 1oi8 n ASN 281 Ca -0.07 -0.64 0.00 0.00 -0.60 0.00 0.00 54.58 53.26 1oi8 n ASN 281 Cb 0.50 -4.63 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 1oi8 n ASN 281 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1oi8 n GLY 282 N -1.77 0.53 3.43 8.20 0.00 -1.26 -3.39 105.19 110.93 1oi8 n GLY 282 Ca -0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1oi8 n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oi8 s ILE 283 N -2.50 4.13 0.31 -0.61 1.01 -0.30 -4.64 121.20 118.60 1oi8 s ILE 283 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1oi8 s ILE 283 Cb 0.00 -2.92 -0.10 0.00 0.01 0.00 0.00 42.46 39.46 1oi8 s ILE 283 CO 0.00 0.37 1.18 0.26 0.00 0.00 0.00 174.94 176.75 1oi8 s TRP 284 N 1.47 3.34 -0.13 3.97 0.52 -1.19 -1.18 118.94 125.75 1oi8 s TRP 284 Ca 0.06 1.58 0.02 0.00 0.02 0.00 0.00 56.10 57.78 1oi8 s TRP 284 Cb -0.15 -3.44 0.01 0.00 -1.15 0.00 0.00 33.47 28.75 1oi8 s TRP 284 CO 0.02 -1.09 -0.17 0.42 0.02 0.00 0.00 176.95 176.15 1oi8 s ILE 285 N -1.18 1.70 0.21 2.03 1.01 -0.05 0.24 121.20 125.16 1oi8 s ILE 285 Ca 0.47 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 60.43 1oi8 s ILE 285 Cb -0.35 -1.54 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 1oi8 s ILE 285 CO 0.45 0.48 -0.10 0.68 0.00 0.00 0.00 174.94 176.45 1oi8 s VAL 286 N 1.00 1.53 -0.26 2.92 -7.23 -0.38 -1.88 120.40 116.11 1oi8 s VAL 286 Ca -0.05 -2.15 -0.26 0.00 -1.81 0.00 0.00 61.98 57.72 1oi8 s VAL 286 Cb -0.15 -2.11 0.11 0.00 0.56 0.00 0.00 36.38 34.79 1oi8 s VAL 286 CO -0.03 -0.54 0.94 -1.58 -0.31 0.00 0.00 175.10 173.58 1oi8 s GLN 287 N -3.70 0.61 -0.39 4.82 0.74 -1.26 -0.94 119.66 119.54 1oi8 s GLN 287 Ca 0.23 0.65 0.05 0.00 0.05 0.00 0.00 55.36 56.34 1oi8 s GLN 287 Cb 0.01 0.30 0.46 0.00 1.10 0.00 0.00 33.01 34.88 1oi8 s GLN 287 CO 0.07 -0.09 1.45 0.00 -0.55 0.00 0.00 175.29 176.17 1oi8 n ALA 288 N 2.18 5.23 -0.74 1.58 0.00 -1.25 -1.83 120.51 125.69 1oi8 n ALA 288 Ca -0.13 -3.61 0.00 0.00 0.00 0.00 0.00 53.44 49.70 1oi8 n ALA 288 Cb 0.56 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.25 1oi8 n ALA 288 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1oi8 n HIS 289 N -0.83 0.00 -3.58 0.00 -0.00 -0.23 -4.23 115.22 106.34 1oi8 n HIS 289 Ca 0.47 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.60 1oi8 n HIS 289 Cb 0.89 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.75 1oi8 n HIS 289 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 1oi8 s GLU 290 N 0.00 0.54 -1.14 1.57 -1.05 -1.25 -3.86 118.70 113.52 1oi8 s GLU 290 Ca 0.00 -0.23 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 1oi8 s GLU 290 Cb 0.00 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.92 1oi8 s GLU 290 CO 0.00 -0.24 0.00 0.91 0.95 0.00 0.00 175.26 176.88 1oi8 n TRP 291 N -0.22 0.00 -1.60 4.83 8.01 -0.44 -0.61 117.44 127.41 1oi8 n TRP 291 Ca -0.04 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.05 1oi8 n TRP 291 Cb 0.60 -2.18 -0.03 0.00 -2.01 0.00 0.00 31.31 27.69 1oi8 n TRP 291 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1oi8 n GLY 292 N -1.18 0.75 0.19 6.99 0.00 -1.26 -4.62 105.19 106.05 1oi8 n GLY 292 Ca -0.11 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.36 1oi8 n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oi8 h LYS 293 N 0.00 0.20 -4.85 1.61 1.57 -1.13 -3.42 116.57 110.55 1oi8 h LYS 293 Ca -0.22 -0.10 -0.34 0.00 -1.87 0.00 0.00 60.65 58.13 1oi8 h LYS 293 Cb 0.83 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.92 1oi8 h LYS 293 CO 0.30 0.60 -0.75 0.71 -0.57 0.00 0.00 179.45 179.74 1oi8 s TYR 294 N -4.08 0.87 -0.26 -1.35 2.02 -1.26 -0.22 117.35 113.07 1oi8 s TYR 294 Ca -0.04 -0.44 -0.06 0.00 -0.37 0.00 0.00 57.07 56.15 1oi8 s TYR 294 Cb 0.13 -0.51 -0.01 0.00 -0.40 0.00 0.00 41.96 41.18 1oi8 s TYR 294 CO 0.77 -0.02 0.05 0.08 -1.57 0.00 0.00 175.55 174.86 1oi8 s VAL 295 N -1.20 3.96 0.32 0.71 1.01 -0.43 -4.72 120.40 120.05 1oi8 s VAL 295 Ca -0.06 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 1oi8 s VAL 295 Cb -0.09 -2.93 -0.10 0.00 0.00 0.00 0.00 36.38 33.26 1oi8 s VAL 295 CO 0.01 0.24 1.16 -0.83 0.00 0.00 0.00 175.10 175.68 1oi8 s GLY 296 N 1.53 3.00 -0.23 4.51 0.00 0.10 -1.12 107.32 115.11 1oi8 s GLY 296 Ca 0.05 0.99 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 1oi8 s GLY 296 CO 0.02 1.58 0.06 -1.60 0.00 0.00 0.00 173.10 173.16 1oi8 s ARG 297 N -1.75 0.63 -0.44 2.90 3.52 0.02 -0.97 118.95 122.85 1oi8 s ARG 297 Ca 0.49 -0.59 -0.12 0.00 -0.13 0.00 0.00 55.73 55.37 1oi8 s ARG 297 Cb -0.33 -1.99 0.08 0.00 -1.56 0.00 0.00 34.95 31.14 1oi8 s ARG 297 CO 0.43 -0.76 0.33 0.00 -0.81 0.00 0.00 175.30 174.48 1oi8 s ALA 298 N 1.82 3.42 -0.22 6.12 0.00 0.47 -1.28 121.76 132.09 1oi8 s ALA 298 Ca 0.02 -2.13 -0.22 0.00 0.00 0.00 0.00 51.96 49.63 1oi8 s ALA 298 Cb -0.17 -2.86 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1oi8 s ALA 298 CO -0.15 -1.69 0.72 -0.51 0.00 0.00 0.00 175.76 174.13 1oi8 s ASP 299 N 2.35 6.74 0.08 0.00 1.01 -0.01 -0.19 116.67 126.64 1oi8 s ASP 299 Ca 0.03 0.91 0.07 0.00 0.71 0.00 0.00 52.55 54.27 1oi8 s ASP 299 Cb -0.24 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 1oi8 s ASP 299 CO 0.04 -0.39 -0.14 -0.36 0.21 0.00 0.00 175.17 174.53 1oi8 s PHE 300 N 2.38 2.64 -0.18 4.23 0.08 0.16 -1.10 117.98 126.20 1oi8 s PHE 300 Ca 0.31 -0.20 -0.05 0.00 0.12 0.00 0.00 56.93 57.11 1oi8 s PHE 300 Cb -0.16 -1.44 -0.03 0.00 -0.57 0.00 0.00 43.02 40.83 1oi8 s PHE 300 CO 0.09 0.36 -0.01 -1.21 -0.10 0.00 0.00 175.22 174.35 1oi8 s GLU 301 N -1.87 3.67 -0.20 0.44 2.02 -0.00 -0.58 118.70 122.18 1oi8 s GLU 301 Ca 0.18 -0.50 -0.06 0.00 0.02 0.00 0.00 54.97 54.60 1oi8 s GLU 301 Cb -0.11 -3.01 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 1oi8 s GLU 301 CO 0.09 0.15 0.03 0.12 0.02 0.00 0.00 175.26 175.67 1oi8 s PHE 302 N 0.64 3.10 -0.10 1.61 2.19 -0.30 -0.57 117.98 124.54 1oi8 s PHE 302 Ca -0.01 -0.29 -0.04 0.00 0.33 0.00 0.00 56.93 56.92 1oi8 s PHE 302 Cb -0.14 -2.11 0.05 0.00 -1.31 0.00 0.00 43.02 39.51 1oi8 s PHE 302 CO 0.02 -0.14 0.22 0.50 1.83 0.00 0.00 175.22 177.65 1oi8 s ARG 303 N 0.91 0.14 -1.63 10.12 3.52 0.23 -1.01 118.95 131.23 1oi8 s ARG 303 Ca 0.02 0.58 -0.14 0.00 -0.13 0.00 0.00 55.73 56.06 1oi8 s ARG 303 Cb -0.14 -0.13 0.11 0.00 -1.56 0.00 0.00 34.95 33.23 1oi8 s ARG 303 CO 0.02 -0.23 0.68 0.09 -0.81 0.00 0.00 175.30 175.06 1oi8 n ASN 304 N 4.77 -2.53 0.00 -2.12 3.02 -1.26 -1.19 115.26 115.95 1oi8 n ASN 304 Ca -0.16 -1.01 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1oi8 n ASN 304 Cb 0.51 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.85 1oi8 n ASN 304 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oi8 n GLY 305 N -1.59 1.88 3.77 7.41 0.00 -1.26 -5.04 105.19 110.36 1oi8 n GLY 305 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 1oi8 n GLY 305 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oi8 s GLU 306 N -0.67 4.01 -0.26 1.61 2.12 -0.33 -4.95 118.70 120.23 1oi8 s GLU 306 Ca 0.00 -0.06 -0.11 0.00 0.36 0.00 0.00 54.97 55.16 1oi8 s GLU 306 Cb 0.00 -3.35 -0.05 0.00 0.26 0.00 0.00 34.13 30.99 1oi8 s GLU 306 CO 0.00 0.42 0.20 -1.64 -0.54 0.00 0.00 175.26 173.70 1oi8 s MET 307 N -0.04 4.02 -0.19 4.30 -1.94 -1.26 -0.60 119.30 123.58 1oi8 s MET 307 Ca 0.13 -0.25 -0.01 0.00 -1.71 0.00 0.00 55.69 53.85 1oi8 s MET 307 Cb -0.12 -3.60 0.00 0.00 2.01 0.00 0.00 34.83 33.12 1oi8 s MET 307 CO 0.02 -0.08 -0.13 0.15 -0.01 0.00 0.00 175.02 174.97 1oi8 s LYS 308 N 1.46 3.19 -0.16 2.03 1.02 0.26 -5.00 119.74 122.53 1oi8 s LYS 308 Ca 0.08 -0.74 -0.29 0.00 0.02 0.00 0.00 55.97 55.04 1oi8 s LYS 308 Cb -0.15 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.41 1oi8 s LYS 308 CO 0.08 -0.14 1.26 1.41 -0.92 0.00 0.00 175.35 177.05 1oi8 s MET 309 N 1.21 4.23 -0.04 1.68 -2.45 -1.26 -0.82 119.30 121.84 1oi8 s MET 309 Ca 0.02 1.66 0.17 0.00 -1.25 0.00 0.00 55.69 56.30 1oi8 s MET 309 Cb -0.14 -3.76 -0.26 0.00 1.25 0.00 0.00 34.83 31.91 1oi8 s MET 309 CO -0.06 -0.71 0.34 1.33 1.05 0.00 0.00 175.02 176.97 1oi8 n VAL 310 N 5.37 0.15 -3.63 10.11 0.24 -0.25 -4.98 118.33 125.34 1oi8 n VAL 310 Ca 0.14 -0.44 -0.15 0.00 -2.04 0.00 0.00 64.34 61.85 1oi8 n VAL 310 Cb 0.45 0.01 -0.07 0.00 -1.47 0.00 0.00 33.84 32.75 1oi8 n VAL 310 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1oi8 s ASN 311 N -4.14 -0.65 -0.01 -1.34 2.47 -1.14 -5.02 114.94 105.10 1oi8 s ASN 311 Ca -0.07 1.13 0.00 0.00 0.42 0.00 0.00 52.86 54.34 1oi8 s ASN 311 Cb 0.10 1.11 0.01 0.00 -1.45 0.00 0.00 41.25 41.02 1oi8 s ASN 311 CO 0.72 -0.32 -0.00 -0.47 -3.72 0.00 0.00 177.10 173.30 1oi8 s TYR 312 N -0.07 0.14 0.04 0.43 5.04 -1.26 -0.83 117.35 120.83 1oi8 s TYR 312 Ca -0.03 0.02 -0.08 0.00 -2.44 0.00 0.00 57.07 54.54 1oi8 s TYR 312 Cb -0.04 -0.18 -0.00 0.00 0.35 0.00 0.00 41.96 42.09 1oi8 s TYR 312 CO 0.03 -0.05 0.15 1.14 -1.34 0.00 0.00 175.55 175.49 1oi8 s GLN 313 N 0.44 0.65 -0.35 4.97 -2.07 -0.41 -4.62 119.66 118.27 1oi8 s GLN 313 Ca -0.04 -0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 52.70 1oi8 s GLN 313 Cb -0.06 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 1oi8 s GLN 313 CO -0.01 -0.18 0.22 -0.51 -1.32 0.00 0.00 175.29 173.49 1oi8 s LEU 314 N -2.10 4.57 -0.32 2.60 1.43 -1.26 -0.80 118.68 122.80 1oi8 s LEU 314 Ca -0.05 -0.68 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 1oi8 s LEU 314 Cb -0.01 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 1oi8 s LEU 314 CO -0.04 -0.30 0.46 -0.51 0.23 0.00 0.00 176.35 176.18 1oi8 s ILE 315 N 1.64 5.08 0.27 -0.59 2.07 -0.28 -4.70 121.20 124.70 1oi8 s ILE 315 Ca 0.04 0.38 -0.30 0.00 -1.41 0.00 0.00 60.65 59.37 1oi8 s ILE 315 Cb -0.18 -3.87 -0.10 0.00 0.13 0.00 0.00 42.46 38.44 1oi8 s ILE 315 CO 0.08 -0.09 1.42 -2.84 -1.91 0.00 0.00 174.94 171.60 1oi8 s PRO 316 N 2.25 4.28 -0.95 3.50 0.02 -1.26 -1.32 135.00 141.52 1oi8 s PRO 316 Ca 0.17 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.37 1oi8 s PRO 316 Cb -0.16 -3.10 0.24 0.00 0.02 0.00 0.00 34.50 31.51 1oi8 s PRO 316 CO 0.12 -0.38 0.91 0.08 -0.33 0.00 0.00 177.00 177.40 1oi8 s VAL 317 N -0.28 5.77 -1.50 3.83 1.01 0.69 -4.63 120.40 125.29 1oi8 s VAL 317 Ca 0.57 -2.85 -0.13 0.00 0.00 0.00 0.00 61.98 59.57 1oi8 s VAL 317 Cb -0.42 -4.53 0.07 0.00 0.00 0.00 0.00 36.38 31.51 1oi8 s VAL 317 CO 0.46 -1.10 1.02 0.59 0.00 0.00 0.00 175.10 176.07 1oi8 n ASN 318 N 3.49 -5.07 -4.78 3.32 3.02 -1.26 -0.72 115.26 113.25 1oi8 n ASN 318 Ca 0.18 -0.74 -0.36 0.00 -0.03 0.00 0.00 54.58 53.63 1oi8 n ASN 318 Cb 0.44 -4.09 -0.03 0.00 -0.61 0.00 0.00 39.78 35.49 1oi8 n ASN 318 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1oi8 s LEU 319 N -7.29 4.03 -0.01 3.41 1.43 -1.26 -4.16 118.68 114.83 1oi8 s LEU 319 Ca 0.65 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.90 1oi8 s LEU 319 Cb -0.32 -4.28 -0.00 0.00 0.03 0.00 0.00 46.19 41.62 1oi8 s LEU 319 CO 0.81 -0.72 -0.08 -0.54 0.23 0.00 0.00 176.35 176.05 1oi8 s LYS 320 N -2.71 0.71 -0.00 1.70 1.02 -1.26 -2.11 119.74 117.08 1oi8 s LYS 320 Ca 0.62 -0.29 -0.23 0.00 0.02 0.00 0.00 55.97 56.09 1oi8 s LYS 320 Cb -0.24 -0.68 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 1oi8 s LYS 320 CO 0.29 0.16 0.69 0.21 -0.92 0.00 0.00 175.35 175.79 1oi8 s LYS 321 N -0.12 4.42 -0.19 1.68 2.20 0.93 -4.76 119.74 123.91 1oi8 s LYS 321 Ca 0.02 0.91 -0.22 0.00 -0.36 0.00 0.00 55.97 56.32 1oi8 s LYS 321 Cb -0.04 -3.38 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 1oi8 s LYS 321 CO -0.00 0.25 0.66 0.21 -0.36 0.00 0.00 175.35 176.11 1oi8 s LYS 322 N 0.13 4.23 0.01 4.03 2.20 -1.26 0.21 119.74 129.29 1oi8 s LYS 322 Ca 0.36 0.69 0.08 0.00 -0.36 0.00 0.00 55.97 56.74 1oi8 s LYS 322 Cb -0.19 -3.58 -0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1oi8 s LYS 322 CO 0.20 -0.25 -0.25 0.14 -0.36 0.00 0.00 175.35 174.82 1oi8 s VAL 323 N 1.94 2.16 -0.20 4.02 -7.23 0.25 -4.98 120.40 116.36 1oi8 s VAL 323 Ca 0.30 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 59.27 1oi8 s VAL 323 Cb -0.16 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.02 1oi8 s VAL 323 CO 0.11 0.48 -0.14 -0.89 -0.31 0.00 0.00 175.10 174.35 1oi8 s THR 324 N -0.71 1.89 0.86 5.32 2.01 -1.26 -1.11 115.64 122.64 1oi8 s THR 324 Ca 0.11 -1.11 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 1oi8 s THR 324 Cb -0.10 -1.88 0.11 0.00 0.01 0.00 0.00 72.50 70.64 1oi8 s THR 324 CO 0.01 0.26 1.15 0.26 -0.69 0.00 0.00 174.62 175.60 1oi8 s TRP 325 N 1.30 2.72 0.36 4.92 0.52 -0.03 -4.92 118.94 123.81 1oi8 s TRP 325 Ca -0.01 0.83 0.31 0.00 0.02 0.00 0.00 56.10 57.25 1oi8 s TRP 325 Cb -0.16 -3.41 1.52 0.00 -1.15 0.00 0.00 33.47 30.27 1oi8 s TRP 325 CO -0.09 -2.08 2.07 1.49 0.02 0.00 0.00 176.95 178.36 1oi8 h GLU 326 N -1.29 0.00 -0.00 4.98 4.81 -2.00 -1.56 114.58 119.51 1oi8 h GLU 326 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1oi8 h GLU 326 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1oi8 h GLU 326 CO 0.63 0.09 0.00 -0.40 -0.73 0.00 0.00 179.01 178.60 1oi8 n ASP 327 N -3.42 0.08 0.00 1.04 3.85 -1.26 -4.91 116.55 111.94 1oi8 n ASP 327 Ca -0.01 -1.21 0.00 0.00 -0.71 0.00 0.00 54.79 52.86 1oi8 n ASP 327 Cb 0.25 -0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.02 1oi8 n ASP 327 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1oi8 n GLY 328 N 0.92 1.47 3.73 6.12 0.00 -0.59 -5.04 105.19 111.80 1oi8 n GLY 328 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 1oi8 n GLY 328 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oi8 s LYS 329 N -0.53 4.41 0.16 1.61 2.36 -1.26 -4.79 119.74 121.70 1oi8 s LYS 329 Ca 0.00 1.98 0.11 0.00 -2.55 0.00 0.00 55.97 55.51 1oi8 s LYS 329 Cb 0.00 -3.23 -0.04 0.00 -1.05 0.00 0.00 37.83 33.51 1oi8 s LYS 329 CO 0.00 -0.24 -0.25 -1.54 1.55 0.00 0.00 175.35 174.86 1oi8 s SER 330 N 0.49 3.36 0.13 1.43 1.04 -1.26 -0.85 113.70 118.04 1oi8 s SER 330 Ca 0.57 -0.80 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 1oi8 s SER 330 Cb -0.35 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.52 1oi8 s SER 330 CO 0.36 0.15 0.21 -1.83 0.98 0.00 0.00 173.24 173.10 1oi8 s GLU 331 N -2.35 1.01 -0.20 4.02 -1.05 -0.27 -4.99 118.70 114.87 1oi8 s GLU 331 Ca 0.17 -1.17 -0.03 0.00 -0.15 0.00 0.00 54.97 53.79 1oi8 s GLU 331 Cb -0.09 0.34 -0.01 0.00 -0.44 0.00 0.00 34.13 33.92 1oi8 s GLU 331 CO 0.08 -0.34 -0.05 1.03 0.95 0.00 0.00 175.26 176.93 1oi8 s ARG 332 N -3.95 3.43 -0.15 -4.83 0.52 -1.26 -0.58 118.95 112.14 1oi8 s ARG 332 Ca 0.15 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1oi8 s ARG 332 Cb 0.05 -2.95 -0.00 0.00 0.52 0.00 0.00 34.95 32.56 1oi8 s ARG 332 CO -0.03 -0.07 -0.16 0.08 0.02 0.00 0.00 175.30 175.13 1oi8 s VAL 333 N 1.16 2.59 0.27 3.52 1.01 0.13 -4.86 120.40 124.21 1oi8 s VAL 333 Ca 0.02 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.89 1oi8 s VAL 333 Cb -0.14 -2.08 -0.13 0.00 0.00 0.00 0.00 36.38 34.03 1oi8 s VAL 333 CO -0.01 0.52 1.47 0.18 0.00 0.00 0.00 175.10 177.27 1oi8 n LEU 334 N 3.97 3.63 0.10 3.92 4.77 -1.26 -0.05 117.00 132.08 1oi8 n LEU 334 Ca -0.19 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 56.89 1oi8 n LEU 334 Cb 0.52 -1.50 0.07 0.00 -2.33 0.00 0.00 43.42 40.18 1oi8 n LEU 334 CO 0.29 -0.24 0.37 1.88 -1.33 0.00 0.00 177.39 178.36 1oi8 h TYR 335 N 4.32 0.14 -4.30 -1.77 0.05 -1.78 -3.46 116.97 110.16 1oi8 h TYR 335 Ca -0.46 -0.07 -0.23 0.00 0.05 0.00 0.00 58.73 58.02 1oi8 h TYR 335 Cb 1.26 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.83 1oi8 h TYR 335 CO 0.57 0.80 -0.64 0.95 -1.05 0.00 0.00 178.16 178.79 1oi8 s THR 336 N -3.39 0.21 0.44 -2.88 -4.23 -1.26 -4.88 115.64 99.65 1oi8 s THR 336 Ca -0.02 -1.96 -0.24 0.00 -1.18 0.00 0.00 61.69 58.29 1oi8 s THR 336 Cb 0.11 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.60 1oi8 s THR 336 CO 0.80 -0.28 1.18 -2.65 -0.54 0.00 0.00 174.62 173.13 1oi8 n PRO 337 N -0.21 1.66 -1.79 3.99 -0.02 -1.26 -4.89 135.00 132.47 1oi8 n PRO 337 Ca -0.03 0.60 -0.41 0.00 -2.02 0.00 0.00 63.50 61.63 1oi8 n PRO 337 Cb 0.65 -2.28 -0.01 0.00 -0.02 0.00 0.00 33.50 31.84 1oi8 n PRO 337 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1oi8 s GLU 338 N -2.24 4.12 -0.21 -0.52 2.12 -1.26 -4.86 118.70 115.85 1oi8 s GLU 338 Ca 0.64 2.57 -0.09 0.00 0.36 0.00 0.00 54.97 58.44 1oi8 s GLU 338 Cb -0.51 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 1oi8 s GLU 338 CO 0.56 -0.60 0.11 0.42 -0.54 0.00 0.00 175.26 175.21 1oi8 s ILE 339 N -0.30 5.11 0.58 -3.70 1.01 -1.26 -5.07 121.20 117.58 1oi8 s ILE 339 Ca 0.60 0.09 -0.18 0.00 0.00 0.00 0.00 60.65 61.16 1oi8 s ILE 339 Cb -0.47 -3.34 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1oi8 s ILE 339 CO 0.52 0.41 1.14 0.00 0.00 0.00 0.00 174.94 177.01 1oi8 s ALA 340 N 0.66 2.60 0.02 9.38 0.00 -1.26 -4.88 121.76 128.28 1oi8 s ALA 340 Ca 0.06 0.79 -0.28 0.00 0.00 0.00 0.00 51.96 52.53 1oi8 s ALA 340 Cb -0.12 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 1oi8 s ALA 340 CO 0.01 -0.98 0.91 -1.21 0.00 0.00 0.00 175.76 174.49 1oi8 s GLU 341 N -3.50 4.56 -0.00 0.00 2.02 -1.26 -4.43 118.70 116.09 1oi8 s GLU 341 Ca 0.72 1.31 -0.30 0.00 0.02 0.00 0.00 54.97 56.72 1oi8 s GLU 341 Cb -0.24 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.51 1oi8 s GLU 341 CO 0.32 0.06 1.30 1.21 0.02 0.00 0.00 175.26 178.16 1oi8 s ASN 342 N 0.66 6.95 0.29 -0.19 3.84 -0.64 -4.90 114.94 120.95 1oi8 s ASN 342 Ca 0.47 2.01 0.13 0.00 0.21 0.00 0.00 52.86 55.69 1oi8 s ASN 342 Cb -0.21 -2.56 0.37 0.00 -0.55 0.00 0.00 41.25 38.29 1oi8 s ASN 342 CO 0.26 -0.63 1.59 1.56 -2.79 0.00 0.00 177.10 177.10 1oi8 h GLN 343 N 7.48 0.00 -0.28 0.43 1.08 -1.95 -1.27 115.11 120.61 1oi8 h GLN 343 Ca -0.37 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.78 1oi8 h GLN 343 Cb 1.18 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1oi8 h GLN 343 CO 0.88 0.57 0.01 0.37 -0.95 0.00 0.00 178.83 179.71 1oi8 h GLN 344 N 0.00 0.48 -0.50 1.46 4.15 -1.99 0.32 115.11 119.03 1oi8 h GLN 344 Ca -0.01 -0.15 0.07 0.00 0.77 0.00 0.00 58.65 59.33 1oi8 h GLN 344 Cb 1.15 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 1oi8 h GLN 344 CO 0.07 0.63 0.18 1.98 -1.93 0.00 0.00 178.83 179.76 1oi8 h MET 345 N 0.27 0.34 -0.68 1.69 4.05 -1.86 -1.47 114.93 117.26 1oi8 h MET 345 Ca 0.08 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.47 1oi8 h MET 345 Cb 0.41 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 31.10 1oi8 h MET 345 CO 0.01 0.22 0.39 0.82 0.23 0.00 0.00 176.91 178.58 1oi8 h ILE 346 N 0.35 1.20 -0.58 1.77 1.08 -0.98 -0.36 117.51 119.99 1oi8 h ILE 346 Ca 0.24 -0.48 -0.08 0.00 -0.39 0.00 0.00 64.86 64.15 1oi8 h ILE 346 Cb 0.26 0.27 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1oi8 h ILE 346 CO -0.25 0.22 0.03 0.28 -0.69 0.00 0.00 178.15 177.74 1oi8 h SER 347 N 0.94 0.95 -0.43 1.72 0.02 -0.34 -0.68 113.55 115.73 1oi8 h SER 347 Ca 0.24 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1oi8 h SER 347 Cb 0.00 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.27 1oi8 h SER 347 CO -0.04 0.99 -0.15 0.25 -1.14 0.00 0.00 176.83 176.74 1oi8 h LEU 348 N 0.91 0.87 0.00 5.07 5.85 -0.48 -3.34 115.31 124.19 1oi8 h LEU 348 Ca 0.17 -0.38 -0.23 0.00 0.84 0.00 0.00 57.88 58.28 1oi8 h LEU 348 Cb 0.49 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1oi8 h LEU 348 CO 0.02 1.06 -1.61 0.18 -0.34 0.00 0.00 178.44 177.75 1oi8 n LEU 349 N -4.25 0.78 -0.18 2.25 4.77 -0.22 -4.39 117.00 115.77 1oi8 n LEU 349 Ca -0.01 0.36 -0.01 0.00 -0.03 0.00 0.00 56.01 56.32 1oi8 n LEU 349 Cb 0.40 0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.71 1oi8 n LEU 349 CO 0.44 0.26 0.85 0.28 -1.33 0.00 0.00 177.39 177.89 1oi8 h SER 350 N 0.00 -0.22 -0.78 -1.43 0.02 -1.25 -0.82 113.55 109.07 1oi8 h SER 350 Ca -0.23 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1oi8 h SER 350 Cb 1.78 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 64.51 1oi8 h SER 350 CO 0.06 -0.08 0.42 -0.65 -1.14 0.00 0.00 176.83 175.43 1oi8 h PRO 351 N 0.13 1.11 -0.76 3.45 0.11 -1.77 -0.63 132.00 133.63 1oi8 h PRO 351 Ca 0.29 -0.13 -0.05 0.00 0.11 0.00 0.00 66.00 66.22 1oi8 h PRO 351 Cb 0.44 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1oi8 h PRO 351 CO -0.46 0.82 0.30 0.74 -0.21 0.00 0.00 178.00 179.19 1oi8 h PHE 352 N 1.11 1.17 -0.15 0.65 0.04 -1.44 -1.94 116.94 116.38 1oi8 h PHE 352 Ca 0.28 -0.09 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 1oi8 h PHE 352 Cb 0.05 -0.35 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 1oi8 h PHE 352 CO 0.01 0.89 -0.13 0.37 -0.60 0.00 0.00 178.31 178.85 1oi8 h GLN 353 N 1.11 0.35 0.21 1.51 5.75 -0.70 -1.74 115.11 121.60 1oi8 h GLN 353 Ca 0.25 -0.18 -0.01 0.00 -0.15 0.00 0.00 58.65 58.56 1oi8 h GLN 353 Cb 0.22 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.78 1oi8 h GLN 353 CO -0.02 0.73 -0.10 -0.91 -2.65 0.00 0.00 178.83 175.88 1oi8 h ASN 354 N -0.01 -0.24 -0.55 -0.69 2.35 -1.12 -0.57 115.58 114.76 1oi8 h ASN 354 Ca 0.03 -0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1oi8 h ASN 354 Cb 0.65 0.06 -0.05 0.00 0.05 0.00 0.00 38.32 39.04 1oi8 h ASN 354 CO 0.03 -0.10 0.29 0.50 -1.65 0.00 0.00 177.43 176.50 1oi8 h LYS 355 N -0.36 0.54 -0.09 0.81 3.64 -1.44 -2.19 116.57 117.48 1oi8 h LYS 355 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1oi8 h LYS 355 Cb 0.27 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1oi8 h LYS 355 CO 0.05 0.35 0.02 0.78 -2.27 0.00 0.00 179.45 178.39 1oi8 h GLY 356 N 0.55 0.15 1.00 5.01 0.00 -1.23 -1.76 103.07 106.80 1oi8 h GLY 356 Ca 0.24 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.47 1oi8 h GLY 356 CO -0.16 0.09 0.36 1.70 0.00 0.00 0.00 176.54 178.53 1oi8 h LYS 357 N -0.05 0.82 -0.24 4.80 3.64 -1.00 -1.52 116.57 123.01 1oi8 h LYS 357 Ca 0.03 -0.08 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1oi8 h LYS 357 Cb 0.23 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1oi8 h LYS 357 CO -0.00 0.59 -0.53 0.00 -2.27 0.00 0.00 179.45 177.24 1oi8 h ALA 358 N 1.18 0.60 -0.35 5.00 0.00 -1.37 -2.68 119.26 121.63 1oi8 h ALA 358 Ca 0.21 -0.51 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1oi8 h ALA 358 Cb -0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1oi8 h ALA 358 CO -0.04 0.68 -0.05 0.37 0.00 0.00 0.00 179.25 180.21 1oi8 h GLN 359 N 0.55 0.58 0.00 0.00 4.15 -0.98 -2.89 115.11 116.51 1oi8 h GLN 359 Ca 0.02 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.29 1oi8 h GLN 359 Cb 1.11 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.72 1oi8 h GLN 359 CO 0.11 0.64 -0.19 1.28 -1.93 0.00 0.00 178.83 178.74 1oi8 n LEU 360 N -4.23 0.77 0.00 -2.39 7.99 -0.60 -2.78 117.00 115.76 1oi8 n LEU 360 Ca 0.01 0.47 0.10 0.00 -0.01 0.00 0.00 56.01 56.59 1oi8 n LEU 360 Cb 0.29 -0.28 0.47 0.00 -0.11 0.00 0.00 43.42 43.79 1oi8 n LEU 360 CO 0.40 -0.14 0.84 -0.62 -1.51 0.00 0.00 177.39 176.36 1oi8 n GLU 361 N -2.21 0.05 -1.95 3.23 -0.58 -1.03 -1.40 120.64 116.75 1oi8 n GLU 361 Ca 0.05 0.13 -0.41 0.00 -0.42 0.00 0.00 57.16 56.51 1oi8 n GLU 361 Cb 0.43 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.79 1oi8 n GLU 361 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1oi8 s VAL 362 N -2.92 2.38 0.14 2.62 0.11 -1.12 -4.76 120.40 116.85 1oi8 s VAL 362 Ca 0.12 0.38 -0.31 0.00 -2.93 0.00 0.00 61.98 59.24 1oi8 s VAL 362 Cb 0.14 -3.24 -0.08 0.00 -1.53 0.00 0.00 36.38 31.67 1oi8 s VAL 362 CO 0.37 0.09 1.31 -0.75 -3.33 0.00 0.00 175.10 172.79 1oi8 s LYS 363 N -1.87 4.38 -0.01 1.54 2.20 -1.26 -2.60 119.74 122.12 1oi8 s LYS 363 Ca 0.51 1.99 0.10 0.00 -0.36 0.00 0.00 55.97 58.21 1oi8 s LYS 363 Cb -0.43 -3.25 -0.13 0.00 -1.51 0.00 0.00 37.83 32.51 1oi8 s LYS 363 CO 0.58 -0.31 0.28 0.44 -0.36 0.00 0.00 175.35 175.98 1oi8 n ILE 364 N 3.37 0.00 -2.73 5.43 -5.35 0.22 -4.93 119.36 115.37 1oi8 n ILE 364 Ca 0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1oi8 n ILE 364 Cb 0.43 0.53 0.00 0.00 -1.74 0.00 0.00 39.64 38.86 1oi8 n ILE 364 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oi8 n GLY 365 N 1.70 0.92 3.41 3.28 0.00 -1.10 -4.17 105.19 109.23 1oi8 n GLY 365 Ca -0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1oi8 n GLY 365 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1oi8 s GLU 366 N 1.19 1.22 0.01 1.61 -1.05 -1.26 -1.01 118.70 119.41 1oi8 s GLU 366 Ca 0.00 -0.71 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 1oi8 s GLU 366 Cb 0.00 0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 34.19 1oi8 s GLU 366 CO 0.00 -0.50 -0.04 -0.08 0.95 0.00 0.00 175.26 175.59 1oi8 s THR 367 N -3.82 0.24 -2.09 1.83 -1.32 -0.10 -1.26 115.64 109.12 1oi8 s THR 367 Ca 0.05 -0.47 0.14 0.00 -1.21 0.00 0.00 61.69 60.20 1oi8 s THR 367 Cb 0.00 -0.27 0.35 0.00 -1.51 0.00 0.00 72.50 71.07 1oi8 s THR 367 CO -0.09 -0.15 1.36 -0.46 -2.21 0.00 0.00 174.62 173.06 1oi8 n ASN 368 N 2.41 1.60 -3.48 8.08 6.94 -0.92 -1.38 115.26 128.52 1oi8 n ASN 368 Ca -0.17 -1.88 -0.12 0.00 -0.02 0.00 0.00 54.58 52.39 1oi8 n ASN 368 Cb 0.57 -0.17 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1oi8 n ASN 368 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1oi8 s GLY 369 N -1.21 -0.54 0.15 4.83 0.00 -1.26 -4.90 107.32 104.39 1oi8 s GLY 369 Ca 0.25 0.93 -0.31 0.00 0.00 0.00 0.00 44.72 45.58 1oi8 s GLY 369 CO 0.18 0.43 1.62 -1.60 0.00 0.00 0.00 173.10 173.74 1oi8 s ARG 370 N -2.88 4.20 -0.31 2.90 3.52 -1.26 -4.03 118.95 121.08 1oi8 s ARG 370 Ca -0.00 2.40 -0.15 0.00 -0.13 0.00 0.00 55.73 57.84 1oi8 s ARG 370 Cb -0.01 -3.27 -0.02 0.00 -1.56 0.00 0.00 34.95 30.09 1oi8 s ARG 370 CO -0.06 -0.67 0.37 -0.51 -0.81 0.00 0.00 175.30 173.62 1oi8 s LEU 371 N 1.58 4.26 -0.50 -0.88 1.43 0.46 -4.95 118.68 120.09 1oi8 s LEU 371 Ca 0.72 -0.01 -0.26 0.00 -1.03 0.00 0.00 54.13 53.55 1oi8 s LEU 371 Cb -0.44 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1oi8 s LEU 371 CO 0.32 -0.28 1.00 -0.70 0.23 0.00 0.00 176.35 176.92 1oi8 s GLU 372 N 2.06 3.52 -0.02 1.70 2.56 -1.26 -2.05 118.70 125.21 1oi8 s GLU 372 Ca 0.13 0.16 0.03 0.00 0.00 0.00 0.00 54.97 55.30 1oi8 s GLU 372 Cb -0.16 -3.96 0.05 0.00 2.00 0.00 0.00 34.13 32.06 1oi8 s GLU 372 CO 0.11 -1.37 0.93 0.41 -0.56 0.00 0.00 175.26 174.79 1oi8 n GLY 373 N 4.97 2.09 3.77 -1.50 0.00 -1.26 -3.75 105.19 109.53 1oi8 n GLY 373 Ca 0.07 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1oi8 n GLY 373 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oi8 s ASP 374 N -1.13 6.29 0.22 1.61 1.01 -1.26 -4.06 116.67 119.35 1oi8 s ASP 374 Ca 0.05 2.94 -0.07 0.00 0.71 0.00 0.00 52.55 56.19 1oi8 s ASP 374 Cb 0.05 -2.66 0.34 0.00 1.01 0.00 0.00 42.92 41.66 1oi8 s ASP 374 CO 0.01 -0.89 1.76 0.03 0.21 0.00 0.00 175.17 176.28 1oi8 h ARG 375 N 2.87 0.50 0.00 8.23 3.08 -1.95 0.22 114.38 127.33 1oi8 h ARG 375 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1oi8 h ARG 375 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1oi8 h ARG 375 CO 0.63 0.33 0.00 -0.40 -1.07 0.00 0.00 179.97 179.46 1oi8 n ASP 376 N -4.93 0.00 -0.08 7.04 5.75 -1.26 -2.33 116.55 120.74 1oi8 n ASP 376 Ca 0.11 -0.19 -0.17 0.00 -0.01 0.00 0.00 54.79 54.53 1oi8 n ASP 376 Cb 0.30 -0.17 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 1oi8 n ASP 376 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oi8 n LYS 377 N -1.17 0.37 0.21 0.11 4.76 0.57 -4.55 118.16 118.45 1oi8 n LYS 377 Ca 0.10 0.16 0.15 0.00 -2.87 0.00 0.00 58.31 55.85 1oi8 n LYS 377 Cb 0.10 -1.12 0.68 0.00 -1.84 0.00 0.00 35.03 32.85 1oi8 n LYS 377 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1oi8 h VAL 378 N -0.63 0.00 -0.11 -0.18 -1.51 -1.07 0.16 116.25 112.91 1oi8 h VAL 378 Ca -0.38 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 64.87 1oi8 h VAL 378 Cb 1.28 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1oi8 h VAL 378 CO -0.23 0.00 0.00 0.54 -1.23 0.00 0.00 177.57 176.65 1oi8 n ARG 379 N -2.60 2.04 0.00 5.19 1.74 -0.98 -4.34 116.66 117.71 1oi8 n ARG 379 Ca 0.00 -1.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 1oi8 n ARG 379 Cb 0.18 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1oi8 n ARG 379 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1oi8 n PHE 380 N 0.82 0.00 -4.27 -1.55 3.01 -0.63 -1.49 117.46 113.36 1oi8 n PHE 380 Ca 0.17 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.48 1oi8 n PHE 380 Cb 0.47 0.04 -0.10 0.00 -0.01 0.00 0.00 39.48 39.89 1oi8 n PHE 380 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1oi8 s VAL 381 N -1.69 0.66 0.23 -4.37 -7.23 0.46 -4.85 120.40 103.62 1oi8 s VAL 381 Ca 0.00 -1.99 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 1oi8 s VAL 381 Cb 0.00 -2.27 -0.10 0.00 0.56 0.00 0.00 36.38 34.57 1oi8 s VAL 381 CO 0.00 -0.34 1.42 -1.10 -0.31 0.00 0.00 175.10 174.77 1oi8 s GLN 382 N -3.94 4.29 0.24 4.82 -1.52 -1.26 -4.31 119.66 117.98 1oi8 s GLN 382 Ca 0.28 2.24 0.06 0.00 -1.95 0.00 0.00 55.36 55.99 1oi8 s GLN 382 Cb 0.06 -3.14 -0.05 0.00 -0.22 0.00 0.00 33.01 29.66 1oi8 s GLN 382 CO 0.07 -0.40 -0.07 0.95 -0.25 0.00 0.00 175.29 175.59 1oi8 s THR 383 N 0.14 1.53 0.41 -0.19 -4.23 -1.26 -4.85 115.64 107.19 1oi8 s THR 383 Ca 0.60 -2.13 0.16 0.00 -1.18 0.00 0.00 61.69 59.14 1oi8 s THR 383 Cb -0.41 -2.29 0.18 0.00 1.34 0.00 0.00 72.50 71.33 1oi8 s THR 383 CO 0.41 -0.41 1.95 -0.55 -0.54 0.00 0.00 174.62 175.48 1oi8 h ASN 384 N 2.42 0.00 -0.50 3.99 7.08 -1.80 -2.00 115.58 124.77 1oi8 h ASN 384 Ca -0.39 0.00 -0.11 0.00 -3.08 0.00 0.00 56.30 52.72 1oi8 h ASN 384 Cb 1.23 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.45 1oi8 h ASN 384 CO 0.65 0.23 -0.11 -0.03 -2.08 0.00 0.00 177.43 176.09 1oi8 h MET 385 N 0.00 0.96 -0.50 4.14 4.05 -1.87 0.41 114.93 122.12 1oi8 h MET 385 Ca -0.00 -0.36 0.09 0.00 -0.28 0.00 0.00 59.70 59.15 1oi8 h MET 385 Cb 0.43 -0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1oi8 h MET 385 CO 0.03 1.03 0.05 0.78 0.23 0.00 0.00 176.91 179.03 1oi8 h GLY 386 N 0.82 0.57 1.26 1.39 0.00 -1.63 -1.68 103.07 103.81 1oi8 h GLY 386 Ca 0.13 0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.36 1oi8 h GLY 386 CO 0.05 -0.11 -0.19 3.21 0.00 0.00 0.00 176.54 179.50 1oi8 h ARG 387 N 0.18 0.85 0.06 4.80 2.47 -1.04 -1.78 114.38 119.92 1oi8 h ARG 387 Ca 0.25 -0.34 -0.00 0.00 -1.26 0.00 0.00 59.98 58.64 1oi8 h ARG 387 Cb 0.37 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 1oi8 h ARG 387 CO -0.37 0.97 -0.03 1.25 0.56 0.00 0.00 179.97 182.35 1oi8 h LEU 388 N 0.75 -0.07 -0.53 3.04 5.85 -0.46 -0.36 115.31 123.54 1oi8 h LEU 388 Ca 0.11 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.77 1oi8 h LEU 388 Cb 0.72 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 1oi8 h LEU 388 CO 0.06 0.03 0.33 0.40 -0.34 0.00 0.00 178.44 178.92 1oi8 h ILE 389 N -0.16 1.09 -0.09 4.05 2.04 -1.26 -0.96 117.51 122.23 1oi8 h ILE 389 Ca -0.01 -0.23 -0.14 0.00 1.00 0.00 0.00 64.86 65.48 1oi8 h ILE 389 Cb 0.14 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 1oi8 h ILE 389 CO 0.01 0.12 -0.57 -0.07 0.00 0.00 0.00 178.15 177.64 1oi8 h LEU 390 N 0.67 0.30 -0.38 1.44 3.38 -1.28 -1.79 115.31 117.65 1oi8 h LEU 390 Ca 0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1oi8 h LEU 390 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1oi8 h LEU 390 CO -0.07 0.81 0.24 0.00 0.09 0.00 0.00 178.44 179.51 1oi8 h ALA 391 N 1.20 0.48 -0.54 1.53 0.00 -0.73 0.11 119.26 121.30 1oi8 h ALA 391 Ca -0.00 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1oi8 h ALA 391 Cb 1.07 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 1oi8 h ALA 391 CO 0.09 -0.05 0.28 0.00 0.00 0.00 0.00 179.25 179.57 1oi8 h ALA 392 N 1.12 0.70 -0.54 0.00 0.00 -0.80 -0.67 119.26 119.08 1oi8 h ALA 392 Ca 0.14 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1oi8 h ALA 392 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1oi8 h ALA 392 CO -0.03 -0.07 -0.08 1.96 0.00 0.00 0.00 179.25 181.04 1oi8 h GLN 393 N 0.53 0.98 -0.35 0.00 4.20 -0.95 -1.90 115.11 117.62 1oi8 h GLN 393 Ca 0.24 -0.34 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1oi8 h GLN 393 Cb 0.15 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1oi8 h GLN 393 CO -0.17 1.01 -0.13 0.52 -0.67 0.00 0.00 178.83 179.39 1oi8 h MET 394 N 0.88 0.71 -0.65 1.46 2.86 -0.62 -2.29 114.93 117.29 1oi8 h MET 394 Ca 0.15 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1oi8 h MET 394 Cb 0.62 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.22 1oi8 h MET 394 CO 0.04 0.89 0.43 0.22 1.06 0.00 0.00 176.91 179.55 1oi8 h ASP 395 N 0.49 0.74 -0.37 1.22 3.58 -1.00 0.84 116.42 121.92 1oi8 h ASP 395 Ca 0.08 -0.02 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1oi8 h ASP 395 Cb 0.65 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 1oi8 h ASP 395 CO 0.04 0.53 -0.11 -0.09 -2.88 0.00 0.00 179.24 176.74 1oi8 h ARG 396 N 0.87 0.81 -0.01 0.28 9.65 -1.23 -3.29 114.38 121.46 1oi8 h ARG 396 Ca 0.24 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1oi8 h ARG 396 Cb -0.10 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1oi8 h ARG 396 CO -0.05 0.88 -0.59 0.25 2.80 0.00 0.00 179.97 183.26 1oi8 n THR 397 N -4.16 0.00 -2.01 0.20 -2.24 -0.87 -4.96 114.28 100.24 1oi8 n THR 397 Ca 0.01 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.58 1oi8 n THR 397 Cb 0.37 0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 69.36 1oi8 n THR 397 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 398 N 1.44 0.22 3.85 3.38 0.00 0.20 -5.01 105.19 109.28 1oi8 n GLY 398 Ca 0.08 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.36 1oi8 n GLY 398 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oi8 s ALA 399 N -2.55 3.05 -0.03 4.61 0.00 -0.67 -4.92 121.76 121.25 1oi8 s ALA 399 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.06 1oi8 s ALA 399 Cb 0.00 -3.11 -0.25 0.00 0.00 0.00 0.00 23.12 19.76 1oi8 s ALA 399 CO 0.00 -0.49 0.70 -0.44 0.00 0.00 0.00 175.76 175.53 1oi8 h ASP 400 N 0.31 0.23 -5.36 0.00 3.32 -0.63 -3.45 116.42 110.85 1oi8 h ASP 400 Ca -0.45 -0.41 -0.15 0.00 0.02 0.00 0.00 57.03 56.03 1oi8 h ASP 400 Cb 1.19 -0.08 -0.09 0.00 0.22 0.00 0.00 39.33 40.58 1oi8 h ASP 400 CO 0.61 1.36 -0.17 0.72 -1.72 0.00 0.00 179.24 180.05 1oi8 s PHE 401 N -2.60 0.67 0.11 4.55 -0.71 -1.06 -4.71 117.98 114.23 1oi8 s PHE 401 Ca -0.10 -0.99 -0.20 0.00 -1.04 0.00 0.00 56.93 54.60 1oi8 s PHE 401 Cb 0.07 0.06 0.05 0.00 -1.21 0.00 0.00 43.02 42.00 1oi8 s PHE 401 CO 0.82 -1.05 0.50 0.00 -1.34 0.00 0.00 175.22 174.15 1oi8 s ALA 402 N -3.59 -1.27 -0.02 1.99 0.00 -0.96 -1.23 121.76 116.70 1oi8 s ALA 402 Ca 0.26 0.32 -0.14 0.00 0.00 0.00 0.00 51.96 52.41 1oi8 s ALA 402 Cb -0.00 0.66 0.02 0.00 0.00 0.00 0.00 23.12 23.80 1oi8 s ALA 402 CO 0.13 -0.64 0.29 0.54 0.00 0.00 0.00 175.76 176.08 1oi8 s VAL 403 N -3.36 0.06 0.15 0.00 0.11 -1.03 -1.40 120.40 114.93 1oi8 s VAL 403 Ca -0.00 -0.48 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1oi8 s VAL 403 Cb 0.00 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1oi8 s VAL 403 CO -0.09 -0.27 0.25 0.00 -3.33 0.00 0.00 175.10 171.66 1oi8 s MET 404 N -1.27 1.10 0.25 1.54 0.23 -0.56 -4.35 119.30 116.24 1oi8 s MET 404 Ca -0.13 -1.18 -0.30 0.00 -1.03 0.00 0.00 55.69 53.04 1oi8 s MET 404 Cb -0.05 0.36 -0.10 0.00 -1.53 0.00 0.00 34.83 33.50 1oi8 s MET 404 CO 0.04 -0.39 1.43 -1.12 -2.03 0.00 0.00 175.02 172.95 1oi8 s SER 405 N -2.97 6.67 0.43 -1.18 0.01 -1.26 -0.80 113.70 114.60 1oi8 s SER 405 Ca 0.17 2.65 0.13 0.00 1.31 0.00 0.00 55.95 60.21 1oi8 s SER 405 Cb 0.04 -2.62 1.00 0.00 0.21 0.00 0.00 66.02 64.65 1oi8 s SER 405 CO -0.01 -0.69 1.98 1.23 0.41 0.00 0.00 173.24 176.16 1oi8 h GLY 406 N 5.04 0.61 2.00 3.44 0.00 -0.39 0.11 103.07 113.89 1oi8 h GLY 406 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1oi8 h GLY 406 CO 0.78 0.11 0.00 0.61 0.00 0.00 0.00 176.54 178.04 1oi8 n GLY 407 N -1.51 -0.96 0.10 4.60 0.00 0.50 -1.62 105.19 106.30 1oi8 n GLY 407 Ca 0.10 0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1oi8 n GLY 407 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 408 N -1.03 -1.68 3.58 -0.02 0.00 0.03 -4.70 105.19 101.36 1oi8 n GLY 408 Ca -0.01 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 1oi8 n GLY 408 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1oi8 s ILE 409 N -3.09 5.06 -0.78 -0.61 1.01 -0.64 -4.79 121.20 117.36 1oi8 s ILE 409 Ca 0.11 0.46 0.15 0.00 0.00 0.00 0.00 60.65 61.37 1oi8 s ILE 409 Cb 0.13 -3.89 -0.14 0.00 0.01 0.00 0.00 42.46 38.57 1oi8 s ILE 409 CO 0.59 -0.10 0.64 0.54 0.00 0.00 0.00 174.94 176.62 1oi8 n ARG 410 N 5.62 2.14 -3.82 2.79 5.12 -0.80 -4.86 116.66 122.84 1oi8 n ARG 410 Ca -0.05 -0.10 -0.06 0.00 -1.93 0.00 0.00 57.85 55.71 1oi8 n ARG 410 Cb 0.49 -1.19 -0.02 0.00 -1.16 0.00 0.00 32.46 30.58 1oi8 n ARG 410 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1oi8 s ASP 411 N -2.31 -0.22 0.43 0.55 -1.08 -1.25 -4.77 116.67 108.03 1oi8 s ASP 411 Ca 0.06 -0.55 0.03 0.00 -0.52 0.00 0.00 52.55 51.57 1oi8 s ASP 411 Cb 0.11 0.65 0.00 0.00 -1.46 0.00 0.00 42.92 42.22 1oi8 s ASP 411 CO 0.57 -1.20 0.62 -0.44 0.52 0.00 0.00 175.17 175.24 1oi8 s SER 412 N -2.94 5.75 -0.13 -0.34 0.01 -1.26 -4.12 113.70 110.67 1oi8 s SER 412 Ca 0.12 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.39 1oi8 s SER 412 Cb -0.04 -1.22 0.02 0.00 0.21 0.00 0.00 66.02 64.99 1oi8 s SER 412 CO 0.06 -0.71 -0.11 -0.63 0.41 0.00 0.00 173.24 172.25 1oi8 s ILE 413 N -2.46 1.32 0.59 1.44 1.01 -0.87 -4.87 121.20 117.36 1oi8 s ILE 413 Ca 0.50 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1oi8 s ILE 413 Cb -0.10 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1oi8 s ILE 413 CO 0.35 0.42 0.99 -1.61 0.00 0.00 0.00 174.94 175.09 1oi8 s GLU 414 N 1.52 3.63 0.39 2.79 0.41 -1.26 -0.40 118.70 125.77 1oi8 s GLU 414 Ca 0.04 0.70 -0.26 0.00 -0.41 0.00 0.00 54.97 55.03 1oi8 s GLU 414 Cb -0.13 -2.13 -0.11 0.00 -1.78 0.00 0.00 34.13 29.98 1oi8 s GLU 414 CO -0.09 -0.49 1.24 0.00 -0.49 0.00 0.00 175.26 175.44 1oi8 n ALA 415 N -2.54 1.13 0.00 5.21 0.00 -1.26 -4.72 120.51 118.33 1oi8 n ALA 415 Ca 0.05 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1oi8 n ALA 415 Cb 0.54 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1oi8 n ALA 415 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oi8 n GLY 416 N 0.85 0.23 3.77 0.00 0.00 -0.48 -4.98 105.19 104.57 1oi8 n GLY 416 Ca 0.06 -2.02 -0.39 0.00 0.00 0.00 0.00 46.02 43.67 1oi8 n GLY 416 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1oi8 s ASP 417 N -4.00 6.80 -0.17 1.61 1.01 -1.26 -0.92 116.67 119.73 1oi8 s ASP 417 Ca 0.00 2.39 -0.02 0.00 0.71 0.00 0.00 52.55 55.63 1oi8 s ASP 417 Cb 0.00 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.29 1oi8 s ASP 417 CO 0.00 -0.48 -0.08 -0.63 0.21 0.00 0.00 175.17 174.18 1oi8 s ILE 418 N -1.29 3.25 0.37 0.77 1.01 -0.18 -4.91 121.20 120.22 1oi8 s ILE 418 Ca 0.52 -0.56 0.07 0.00 0.00 0.00 0.00 60.65 60.68 1oi8 s ILE 418 Cb -0.33 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.71 1oi8 s ILE 418 CO 0.42 0.48 0.43 -0.94 0.00 0.00 0.00 174.94 175.33 1oi8 s SER 419 N 0.87 5.58 0.25 3.58 1.04 -1.26 0.72 113.70 124.48 1oi8 s SER 419 Ca -0.02 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 1oi8 s SER 419 Cb -0.15 -0.93 0.40 0.00 0.10 0.00 0.00 66.02 65.44 1oi8 s SER 419 CO 0.01 -0.52 1.81 1.88 0.98 0.00 0.00 173.24 177.40 1oi8 h TYR 420 N 0.95 0.88 -0.50 5.02 0.05 -1.23 -2.60 116.97 119.53 1oi8 h TYR 420 Ca -0.43 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.45 1oi8 h TYR 420 Cb 1.26 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 38.67 1oi8 h TYR 420 CO 0.46 0.36 0.14 -0.22 -1.05 0.00 0.00 178.16 177.85 1oi8 h LYS 421 N 0.81 0.29 -0.66 4.88 1.63 -1.54 -1.65 116.57 120.32 1oi8 h LYS 421 Ca 0.40 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.30 1oi8 h LYS 421 Cb 0.36 -0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.84 1oi8 h LYS 421 CO -0.25 0.19 0.23 -0.91 -3.45 0.00 0.00 179.45 175.26 1oi8 h ASN 422 N 0.30 0.18 -0.15 4.20 -0.26 -1.76 -1.48 115.58 116.60 1oi8 h ASN 422 Ca 0.25 0.10 -0.02 0.00 -0.56 0.00 0.00 56.30 56.07 1oi8 h ASN 422 Cb 0.30 0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 1oi8 h ASN 422 CO -0.29 0.09 0.03 0.58 -1.06 0.00 0.00 177.43 176.78 1oi8 h VAL 423 N 0.38 1.22 -0.64 2.81 2.07 -1.31 -2.86 116.25 117.93 1oi8 h VAL 423 Ca 0.35 -0.71 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1oi8 h VAL 423 Cb 0.49 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.58 1oi8 h VAL 423 CO -0.37 0.21 0.27 0.00 0.02 0.00 0.00 177.57 177.70 1oi8 h LYS 425 N 0.46 1.13 -0.36 0.00 1.79 -1.27 -0.61 116.57 117.72 1oi8 h LYS 425 Ca 0.32 -0.07 -0.16 0.00 -2.18 0.00 0.00 60.65 58.56 1oi8 h LYS 425 Cb 0.38 -0.26 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1oi8 h LYS 425 CO -0.30 0.75 -0.40 0.28 -1.08 0.00 0.00 179.45 178.71 1oi8 h VAL 426 N 1.17 1.28 -2.22 0.50 2.07 -1.05 -3.31 116.25 114.69 1oi8 h VAL 426 Ca 0.32 -1.57 -0.58 0.00 0.82 0.00 0.00 66.70 65.69 1oi8 h VAL 426 Cb -0.11 1.42 -0.40 0.00 -1.52 0.00 0.00 31.29 30.67 1oi8 h VAL 426 CO -0.07 0.52 -0.83 0.00 0.02 0.00 0.00 177.57 177.20 1oi8 n GLN 427 N -4.05 1.51 0.01 1.57 1.13 -0.29 -1.90 117.38 115.36 1oi8 n GLN 427 Ca -0.02 -3.93 0.13 0.00 -1.94 0.00 0.00 57.00 51.24 1oi8 n GLN 427 Cb 0.55 -1.78 0.47 0.00 0.11 0.00 0.00 30.24 29.58 1oi8 n GLN 427 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1oi8 n PRO 428 N 1.37 0.03 -0.04 -1.09 -0.04 -0.25 -4.47 135.00 130.51 1oi8 n PRO 428 Ca 0.25 0.02 0.10 0.00 -0.04 0.00 0.00 63.50 63.83 1oi8 n PRO 428 Cb 0.46 -1.53 0.10 0.00 -0.04 0.00 0.00 33.50 32.50 1oi8 n PRO 428 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1oi8 n PHE 429 N -1.57 0.10 -2.70 0.54 3.72 -1.26 -3.44 117.46 112.85 1oi8 n PHE 429 Ca 0.06 -0.06 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1oi8 n PHE 429 Cb 0.35 -0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.91 1oi8 n PHE 429 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1oi8 n GLY 430 N 1.11 0.01 3.79 1.37 0.00 -1.26 -4.92 105.19 105.28 1oi8 n GLY 430 Ca 0.12 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1oi8 n GLY 430 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1oi8 s ASN 431 N -2.85 6.21 -0.09 1.61 0.01 -1.26 -4.80 114.94 113.77 1oi8 s ASN 431 Ca 0.17 2.03 -0.05 0.00 -0.71 0.00 0.00 52.86 54.30 1oi8 s ASN 431 Cb -0.08 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1oi8 s ASN 431 CO 0.22 -0.88 0.13 -0.69 -1.51 0.00 0.00 177.10 174.37 1oi8 s VAL 432 N -1.86 5.36 -0.06 1.60 1.01 -1.26 -0.34 120.40 124.84 1oi8 s VAL 432 Ca 0.68 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 62.46 1oi8 s VAL 432 Cb -0.20 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 1oi8 s VAL 432 CO 0.23 0.56 0.86 -0.69 0.00 0.00 0.00 175.10 176.06 1oi8 s VAL 433 N -1.08 4.92 0.29 2.92 1.01 0.96 -0.50 120.40 128.92 1oi8 s VAL 433 Ca 0.17 1.78 0.05 0.00 0.00 0.00 0.00 61.98 63.98 1oi8 s VAL 433 Cb -0.12 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1oi8 s VAL 433 CO 0.07 0.15 0.00 0.68 0.00 0.00 0.00 175.10 176.00 1oi8 s VAL 434 N 1.25 1.34 0.12 2.92 -7.23 -0.16 -2.21 120.40 116.44 1oi8 s VAL 434 Ca 0.44 -2.05 -0.03 0.00 -1.81 0.00 0.00 61.98 58.53 1oi8 s VAL 434 Cb -0.19 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.13 1oi8 s VAL 434 CO 0.21 -0.17 0.11 -0.72 -0.31 0.00 0.00 175.10 174.21 1oi8 s TYR 435 N -3.20 0.66 -0.03 2.82 -0.85 -0.25 -0.99 117.35 115.50 1oi8 s TYR 435 Ca 0.32 -1.06 -0.01 0.00 -0.52 0.00 0.00 57.07 55.81 1oi8 s TYR 435 Cb 0.06 -0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.09 1oi8 s TYR 435 CO 0.13 -0.55 0.06 0.00 -1.52 0.00 0.00 175.55 173.67 1oi8 s ALA 436 N -4.00 -0.05 -0.30 9.51 0.00 -0.27 -1.07 121.76 125.59 1oi8 s ALA 436 Ca 0.19 0.32 -0.20 0.00 0.00 0.00 0.00 51.96 52.27 1oi8 s ALA 436 Cb 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1oi8 s ALA 436 CO -0.01 -0.09 0.61 -0.51 0.00 0.00 0.00 175.76 175.75 1oi8 s ASP 437 N 0.76 6.48 0.05 0.00 1.01 -0.49 -1.60 116.67 122.88 1oi8 s ASP 437 Ca -0.06 0.44 0.01 0.00 0.71 0.00 0.00 52.55 53.66 1oi8 s ASP 437 Cb -0.09 -2.32 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1oi8 s ASP 437 CO -0.03 -0.44 -0.06 0.00 0.21 0.00 0.00 175.17 174.85 1oi8 s MET 438 N 2.54 0.55 0.85 8.23 0.23 -0.05 -4.68 119.30 126.97 1oi8 s MET 438 Ca 0.24 -0.87 -0.11 0.00 -1.03 0.00 0.00 55.69 53.92 1oi8 s MET 438 Cb -0.15 -0.16 0.10 0.00 -1.53 0.00 0.00 34.83 33.09 1oi8 s MET 438 CO 0.11 0.01 1.09 0.95 -2.03 0.00 0.00 175.02 175.15 1oi8 s THR 439 N -2.01 2.89 0.36 3.16 -4.23 -1.26 -0.16 115.64 114.40 1oi8 s THR 439 Ca -0.06 0.29 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 1oi8 s THR 439 Cb -0.06 -2.72 0.30 0.00 1.34 0.00 0.00 72.50 71.36 1oi8 s THR 439 CO -0.02 -0.38 1.94 1.23 -0.54 0.00 0.00 174.62 176.85 1oi8 h GLY 440 N -1.42 1.02 0.97 3.99 0.00 -0.73 -1.08 103.07 105.83 1oi8 h GLY 440 Ca -0.47 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.52 1oi8 h GLY 440 CO 0.52 0.20 0.19 1.70 0.00 0.00 0.00 176.54 179.15 1oi8 h LYS 441 N 0.75 0.78 -0.26 4.80 3.64 -1.75 -1.53 116.57 123.00 1oi8 h LYS 441 Ca 0.35 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1oi8 h LYS 441 Cb 0.36 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1oi8 h LYS 441 CO -0.13 0.71 -0.01 0.93 -2.27 0.00 0.00 179.45 178.68 1oi8 h GLU 442 N 0.70 0.39 -0.06 1.90 5.08 -1.69 -2.03 114.58 118.87 1oi8 h GLU 442 Ca 0.17 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1oi8 h GLU 442 Cb 0.23 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1oi8 h GLU 442 CO -0.01 0.43 0.03 0.28 -1.00 0.00 0.00 179.01 178.73 1oi8 h VAL 443 N 0.38 1.10 -0.03 3.13 2.07 -0.52 0.11 116.25 122.49 1oi8 h VAL 443 Ca 0.09 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1oi8 h VAL 443 Cb 0.27 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1oi8 h VAL 443 CO 0.01 0.08 0.02 0.40 0.02 0.00 0.00 177.57 178.10 1oi8 h ILE 444 N -0.02 1.03 -0.75 4.57 2.04 -1.15 0.18 117.51 123.40 1oi8 h ILE 444 Ca 0.02 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1oi8 h ILE 444 Cb 0.11 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1oi8 h ILE 444 CO -0.00 0.03 0.37 0.44 0.00 0.00 0.00 178.15 178.98 1oi8 h ASP 445 N 0.01 0.98 0.55 1.72 3.32 -1.25 -0.92 116.42 120.84 1oi8 h ASP 445 Ca 0.01 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.91 1oi8 h ASP 445 Cb 0.02 -0.25 0.01 0.00 0.22 0.00 0.00 39.33 39.33 1oi8 h ASP 445 CO -0.00 0.83 -0.27 0.22 -1.72 0.00 0.00 179.24 178.30 1oi8 h TYR 446 N 1.05 -0.69 -0.10 4.55 3.20 -0.37 -2.12 116.97 122.50 1oi8 h TYR 446 Ca 0.26 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.05 1oi8 h TYR 446 Cb 0.11 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1oi8 h TYR 446 CO 0.01 -0.42 -0.21 -0.07 -1.64 0.00 0.00 178.16 175.83 1oi8 h LEU 447 N -0.77 0.16 -0.31 2.82 3.38 -0.55 -1.06 115.31 118.98 1oi8 h LEU 447 Ca -0.08 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 1oi8 h LEU 447 Cb 0.58 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1oi8 h LEU 447 CO 0.12 0.39 -0.17 0.74 0.09 0.00 0.00 178.44 179.61 1oi8 h THR 448 N 0.16 1.29 -0.70 0.22 2.02 -1.02 -0.65 112.91 114.23 1oi8 h THR 448 Ca 0.03 -1.29 -0.02 0.00 0.77 0.00 0.00 66.41 65.90 1oi8 h THR 448 Cb 0.47 1.46 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 1oi8 h THR 448 CO 0.03 0.42 0.38 0.00 0.37 0.00 0.00 175.52 176.71 1oi8 h ALA 449 N 0.76 0.90 -0.15 6.16 0.00 -0.96 -3.19 119.26 122.78 1oi8 h ALA 449 Ca 0.07 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 1oi8 h ALA 449 Cb 0.71 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1oi8 h ALA 449 CO 0.05 0.42 -0.56 0.28 0.00 0.00 0.00 179.25 179.45 1oi8 h VAL 450 N 0.97 1.34 0.00 0.00 2.07 -0.94 -2.49 116.25 117.20 1oi8 h VAL 450 Ca 0.25 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1oi8 h VAL 450 Cb 0.05 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1oi8 h VAL 450 CO -0.04 0.56 0.00 0.00 0.02 0.00 0.00 177.57 178.11 1oi8 n ALA 451 N -2.51 1.56 0.86 1.67 0.00 -0.27 -1.82 120.51 120.00 1oi8 n ALA 451 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.50 1oi8 n ALA 451 Cb 0.60 -1.17 0.41 0.00 0.00 0.00 0.00 19.45 19.29 1oi8 n ALA 451 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1oi8 n GLN 452 N -1.41 0.10 -2.23 0.00 1.13 -0.94 -4.87 117.38 109.16 1oi8 n GLN 452 Ca 0.04 0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.74 1oi8 n GLN 452 Cb 0.11 -1.59 -0.03 0.00 0.11 0.00 0.00 30.24 28.84 1oi8 n GLN 452 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1oi8 s MET 453 N -3.05 4.42 0.20 -1.09 -1.94 -0.76 -4.98 119.30 112.11 1oi8 s MET 453 Ca 0.11 2.07 -0.06 0.00 -1.71 0.00 0.00 55.69 56.10 1oi8 s MET 453 Cb 0.16 -3.15 -0.06 0.00 2.01 0.00 0.00 34.83 33.80 1oi8 s MET 453 CO 0.62 -0.14 0.46 0.15 -0.01 0.00 0.00 175.02 176.10 1oi8 s LYS 454 N -0.96 3.68 1.09 2.03 -0.14 -1.26 -4.71 119.74 119.47 1oi8 s LYS 454 Ca 0.52 0.04 -0.14 0.00 -1.36 0.00 0.00 55.97 55.02 1oi8 s LYS 454 Cb -0.37 -2.75 0.18 0.00 -1.68 0.00 0.00 37.83 33.22 1oi8 s LYS 454 CO 0.44 0.37 0.65 -2.30 -0.76 0.00 0.00 175.35 173.75 1oi8 n PRO 455 N -0.19 -1.64 -2.84 -1.68 -0.02 -1.26 -3.53 135.00 123.83 1oi8 n PRO 455 Ca -0.01 -0.45 -0.20 0.00 -2.02 0.00 0.00 63.50 60.82 1oi8 n PRO 455 Cb 0.52 -2.02 0.03 0.00 -0.02 0.00 0.00 33.50 32.01 1oi8 n PRO 455 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1oi8 n ASP 456 N -3.40 -5.74 -3.64 2.55 2.03 -0.55 -4.99 116.55 102.80 1oi8 n ASP 456 Ca 0.04 -0.22 -0.10 0.00 0.52 0.00 0.00 54.79 55.03 1oi8 n ASP 456 Cb 0.56 -4.61 -0.05 0.00 -0.72 0.00 0.00 41.12 36.31 1oi8 n ASP 456 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1oi8 s SER 457 N -2.62 -0.22 0.44 1.67 1.04 -1.23 -5.03 113.70 107.75 1oi8 s SER 457 Ca 0.22 -0.33 0.21 0.00 0.48 0.00 0.00 55.95 56.54 1oi8 s SER 457 Cb -0.10 0.47 1.02 0.00 0.10 0.00 0.00 66.02 67.51 1oi8 s SER 457 CO 0.28 -0.85 1.90 1.23 0.98 0.00 0.00 173.24 176.78 1oi8 h GLY 458 N 2.38 0.00 2.00 7.32 0.00 -1.90 -2.36 103.07 110.52 1oi8 h GLY 458 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1oi8 h GLY 458 CO 0.47 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.01 1oi8 n ALA 459 N -2.32 1.71 -1.68 3.60 0.00 -1.26 -0.37 120.51 120.19 1oi8 n ALA 459 Ca -0.01 0.07 -0.51 0.00 0.00 0.00 0.00 53.44 52.99 1oi8 n ALA 459 Cb 0.37 -1.38 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 1oi8 n ALA 459 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1oi8 n TYR 460 N -2.18 2.18 -2.92 0.00 9.36 -0.89 -4.60 117.16 118.11 1oi8 n TYR 460 Ca 0.02 0.23 -0.40 0.00 3.32 0.00 0.00 57.90 61.08 1oi8 n TYR 460 Cb 0.24 -2.56 -0.05 0.00 -0.63 0.00 0.00 39.34 36.34 1oi8 n TYR 460 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 1oi8 s PRO 461 N 3.10 4.57 -0.19 2.98 0.04 -1.26 -0.26 135.00 143.99 1oi8 s PRO 461 Ca 0.91 1.19 -0.14 0.00 0.04 0.00 0.00 61.00 63.00 1oi8 s PRO 461 Cb -0.81 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.35 1oi8 s PRO 461 CO 0.53 0.36 0.30 -0.65 0.04 0.00 0.00 177.00 177.58 1oi8 s GLN 462 N -0.40 4.21 0.17 4.56 -1.52 0.02 -4.83 119.66 121.87 1oi8 s GLN 462 Ca 0.40 0.07 0.08 0.00 -1.95 0.00 0.00 55.36 53.95 1oi8 s GLN 462 Cb -0.22 -3.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 1oi8 s GLN 462 CO 0.26 0.13 -0.05 -0.06 -0.25 0.00 0.00 175.29 175.31 1oi8 s PHE 463 N 0.81 2.74 -0.00 0.91 0.08 -1.26 -1.50 117.98 119.76 1oi8 s PHE 463 Ca 0.16 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 57.05 1oi8 s PHE 463 Cb -0.13 -1.34 -0.00 0.00 -0.57 0.00 0.00 43.02 40.97 1oi8 s PHE 463 CO 0.05 0.51 -0.06 0.00 -0.10 0.00 0.00 175.22 175.62 1oi8 s ALA 464 N -1.68 0.48 -1.51 5.36 0.00 -0.49 -4.75 121.76 119.17 1oi8 s ALA 464 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 51.96 1oi8 s ALA 464 Cb -0.09 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.91 1oi8 s ALA 464 CO 0.17 0.11 0.00 0.09 0.00 0.00 0.00 175.76 176.13 1oi8 n ASN 465 N 2.90 -4.72 -4.28 0.00 3.02 -1.26 -2.25 115.26 108.67 1oi8 n ASN 465 Ca -0.13 0.30 -0.31 0.00 -0.03 0.00 0.00 54.58 54.41 1oi8 n ASN 465 Cb 0.58 -3.57 -0.16 0.00 -0.61 0.00 0.00 39.78 36.01 1oi8 n ASN 465 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oi8 s VAL 466 N -2.58 2.01 0.02 2.41 1.01 -1.26 -1.44 120.40 120.58 1oi8 s VAL 466 Ca 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1oi8 s VAL 466 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1oi8 s VAL 466 CO 0.00 0.56 -0.10 -0.94 0.00 0.00 0.00 175.10 174.63 1oi8 s SER 467 N -0.32 1.13 0.05 3.32 1.04 -0.65 -4.24 113.70 114.03 1oi8 s SER 467 Ca 0.01 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.84 1oi8 s SER 467 Cb -0.12 -0.07 0.09 0.00 0.10 0.00 0.00 66.02 66.02 1oi8 s SER 467 CO 0.02 0.01 0.96 0.72 0.98 0.00 0.00 173.24 175.93 1oi8 s PHE 468 N -0.66 -0.23 -0.22 5.02 -0.12 -0.52 -1.02 117.98 120.23 1oi8 s PHE 468 Ca -0.00 0.03 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 1oi8 s PHE 468 Cb -0.06 0.58 0.04 0.00 -0.63 0.00 0.00 43.02 42.95 1oi8 s PHE 468 CO 0.00 -0.62 -0.15 0.08 -0.05 0.00 0.00 175.22 174.48 1oi8 s VAL 469 N -3.10 2.13 -0.08 -2.49 1.01 -0.36 -1.98 120.40 115.53 1oi8 s VAL 469 Ca 0.09 -1.29 -0.16 0.00 0.00 0.00 0.00 61.98 60.62 1oi8 s VAL 469 Cb -0.01 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1oi8 s VAL 469 CO -0.04 0.25 0.41 0.00 0.00 0.00 0.00 175.10 175.72 1oi8 s ALA 470 N 1.20 3.58 -0.27 5.51 0.00 0.53 -0.52 121.76 131.78 1oi8 s ALA 470 Ca -0.02 -0.26 -0.23 0.00 0.00 0.00 0.00 51.96 51.45 1oi8 s ALA 470 Cb -0.17 -2.49 0.08 0.00 0.00 0.00 0.00 23.12 20.54 1oi8 s ALA 470 CO -0.09 0.20 0.74 -1.59 0.00 0.00 0.00 175.76 175.02 1oi8 s LYS 471 N -0.04 0.79 -1.10 0.00 -2.85 -0.25 -1.46 119.74 114.83 1oi8 s LYS 471 Ca 0.23 1.01 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 1oi8 s LYS 471 Cb -0.15 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 1oi8 s LYS 471 CO 0.10 -0.11 0.00 -0.25 0.10 0.00 0.00 175.35 175.19 1oi8 n ASP 472 N 2.98 -4.05 -1.81 0.03 8.00 -1.26 -2.22 116.55 118.22 1oi8 n ASP 472 Ca -0.15 0.15 -0.18 0.00 0.71 0.00 0.00 54.79 55.33 1oi8 n ASP 472 Cb 0.56 -2.86 -0.03 0.00 -0.02 0.00 0.00 41.12 38.77 1oi8 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oi8 n GLY 473 N -1.35 0.27 3.06 0.44 0.00 -1.26 -5.01 105.19 101.34 1oi8 n GLY 473 Ca -0.12 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 1oi8 n GLY 473 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oi8 s LYS 474 N -4.46 0.72 -0.29 1.61 2.20 -0.94 -4.97 119.74 113.61 1oi8 s LYS 474 Ca 0.00 -0.54 -0.13 0.00 -0.36 0.00 0.00 55.97 54.94 1oi8 s LYS 474 Cb 0.00 -0.67 -0.04 0.00 -1.51 0.00 0.00 37.83 35.62 1oi8 s LYS 474 CO 0.00 0.17 0.28 -0.51 -0.36 0.00 0.00 175.35 174.93 1oi8 s LEU 475 N -0.78 4.11 0.02 5.43 1.43 -1.26 -1.09 118.68 126.53 1oi8 s LEU 475 Ca -0.00 0.05 -0.02 0.00 -1.03 0.00 0.00 54.13 53.13 1oi8 s LEU 475 Cb -0.06 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1oi8 s LEU 475 CO 0.00 -0.15 0.20 0.20 0.23 0.00 0.00 176.35 176.84 1oi8 s ASN 476 N 1.71 6.37 -1.58 2.29 0.01 0.32 -4.50 114.94 119.56 1oi8 s ASN 476 Ca 0.11 0.34 -0.13 0.00 -0.71 0.00 0.00 52.86 52.46 1oi8 s ASN 476 Cb -0.16 -1.99 0.10 0.00 0.41 0.00 0.00 41.25 39.61 1oi8 s ASN 476 CO 0.11 0.23 0.79 0.47 -1.51 0.00 0.00 177.10 177.19 1oi8 n ASP 477 N 0.72 -3.23 -4.69 -1.22 8.00 -1.26 -1.22 116.55 113.65 1oi8 n ASP 477 Ca -0.09 -0.92 -0.42 0.00 0.71 0.00 0.00 54.79 54.07 1oi8 n ASP 477 Cb 0.52 -3.25 -0.03 0.00 -0.02 0.00 0.00 41.12 38.34 1oi8 n ASP 477 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1oi8 s LEU 478 N -7.20 4.39 0.00 0.64 2.96 -1.25 -4.24 118.68 113.98 1oi8 s LEU 478 Ca 0.56 2.73 0.01 0.00 -0.22 0.00 0.00 54.13 57.21 1oi8 s LEU 478 Cb -0.30 -3.57 -0.00 0.00 0.50 0.00 0.00 46.19 42.82 1oi8 s LEU 478 CO 0.88 -0.99 -0.04 -0.54 -1.32 0.00 0.00 176.35 174.35 1oi8 s LYS 479 N 2.65 0.28 -0.21 1.98 1.02 -0.19 -3.68 119.74 121.59 1oi8 s LYS 479 Ca 0.80 -0.17 -0.04 0.00 0.02 0.00 0.00 55.97 56.57 1oi8 s LYS 479 Cb -0.45 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1oi8 s LYS 479 CO 0.36 0.06 -0.03 0.42 -0.92 0.00 0.00 175.35 175.24 1oi8 s ILE 480 N -0.21 3.58 -1.43 2.17 -1.09 -0.24 -1.64 121.20 122.34 1oi8 s ILE 480 Ca -0.00 -0.43 -0.11 0.00 -2.23 0.00 0.00 60.65 57.88 1oi8 s ILE 480 Cb -0.02 -2.62 0.04 0.00 -1.58 0.00 0.00 42.46 38.28 1oi8 s ILE 480 CO -0.00 0.43 1.08 0.29 -1.23 0.00 0.00 174.94 175.51 1oi8 n LYS 481 N 4.57 -6.93 -1.04 2.79 5.02 -0.52 -2.05 118.16 120.00 1oi8 n LYS 481 Ca -0.18 0.74 -0.01 0.00 -2.02 0.00 0.00 58.31 56.84 1oi8 n LYS 481 Cb 0.51 -5.73 -0.01 0.00 -0.02 0.00 0.00 35.03 29.78 1oi8 n LYS 481 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oi8 n GLY 482 N -1.87 0.47 3.26 0.72 0.00 -1.26 -5.01 105.19 101.49 1oi8 n GLY 482 Ca 0.02 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1oi8 n GLY 482 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oi8 s GLU 483 N -1.02 1.78 0.55 1.61 0.41 -0.87 -5.03 118.70 116.13 1oi8 s GLU 483 Ca 0.00 -0.85 -0.21 0.00 -0.41 0.00 0.00 54.97 53.50 1oi8 s GLU 483 Cb 0.00 -1.76 -0.05 0.00 -1.78 0.00 0.00 34.13 30.54 1oi8 s GLU 483 CO 0.00 0.48 1.23 -2.30 -0.49 0.00 0.00 175.26 174.17 1oi8 n PRO 484 N 2.38 1.42 -2.39 0.39 -0.02 -1.26 -1.08 135.00 134.44 1oi8 n PRO 484 Ca -0.16 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.43 1oi8 n PRO 484 Cb 0.52 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 1oi8 n PRO 484 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1oi8 s VAL 485 N -1.35 3.83 -0.26 -1.45 1.01 -1.24 -4.80 120.40 116.15 1oi8 s VAL 485 Ca 0.73 1.38 -0.09 0.00 0.00 0.00 0.00 61.98 64.00 1oi8 s VAL 485 Cb -0.43 -3.88 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1oi8 s VAL 485 CO 0.49 0.14 0.12 -0.62 0.00 0.00 0.00 175.10 175.23 1oi8 s ASP 486 N 0.75 5.54 0.64 3.32 -1.08 -1.26 -4.99 116.67 119.60 1oi8 s ASP 486 Ca 0.57 -0.10 0.41 0.00 -0.52 0.00 0.00 52.55 52.91 1oi8 s ASP 486 Cb -0.31 -2.01 2.22 0.00 -1.46 0.00 0.00 42.92 41.37 1oi8 s ASP 486 CO 0.32 -0.02 2.32 1.55 0.52 0.00 0.00 175.17 179.85 1oi8 h PRO 487 N 8.14 0.00 0.00 4.34 0.13 -1.95 -2.47 132.00 140.20 1oi8 h PRO 487 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1oi8 h PRO 487 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1oi8 h PRO 487 CO 0.58 0.01 -1.15 0.00 -0.23 0.00 0.00 178.00 177.21 1oi8 n ALA 488 N -2.13 2.95 -1.80 -0.56 0.00 -1.26 -2.72 120.51 114.99 1oi8 n ALA 488 Ca -0.03 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.72 1oi8 n ALA 488 Cb 0.10 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1oi8 n ALA 488 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1oi8 s LYS 489 N -3.31 4.05 -0.22 0.00 2.20 -0.93 -4.79 119.74 116.74 1oi8 s LYS 489 Ca 0.00 1.36 -0.15 0.00 -0.36 0.00 0.00 55.97 56.83 1oi8 s LYS 489 Cb 0.12 -2.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 1oi8 s LYS 489 CO 0.81 -0.22 0.37 0.99 -0.36 0.00 0.00 175.35 176.94 1oi8 s THR 490 N -1.89 5.21 -0.04 3.43 2.01 -1.26 -0.75 115.64 122.35 1oi8 s THR 490 Ca 0.62 0.63 0.03 0.00 0.31 0.00 0.00 61.69 63.28 1oi8 s THR 490 Cb -0.17 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1oi8 s THR 490 CO 0.21 0.24 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.95 1oi8 s TYR 491 N 1.45 2.75 -0.26 4.92 1.51 0.78 -4.92 117.35 123.59 1oi8 s TYR 491 Ca 0.17 -0.12 -0.10 0.00 -1.01 0.00 0.00 57.07 56.01 1oi8 s TYR 491 Cb -0.15 -1.62 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1oi8 s TYR 491 CO 0.08 0.24 0.15 0.50 -1.11 0.00 0.00 175.55 175.41 1oi8 s ARG 492 N -0.91 3.92 0.04 -0.62 3.52 -1.26 -0.87 118.95 122.77 1oi8 s ARG 492 Ca 0.13 -0.34 0.04 0.00 -0.13 0.00 0.00 55.73 55.43 1oi8 s ARG 492 Cb -0.11 -3.53 -0.04 0.00 -1.56 0.00 0.00 34.95 29.72 1oi8 s ARG 492 CO 0.02 -0.09 -0.06 0.00 -0.81 0.00 0.00 175.30 174.36 1oi8 s MET 493 N 1.45 2.46 -0.03 5.12 0.23 -0.63 0.16 119.30 128.07 1oi8 s MET 493 Ca 0.07 -0.80 -0.02 0.00 -1.03 0.00 0.00 55.69 53.90 1oi8 s MET 493 Cb -0.15 -2.47 -0.04 0.00 -1.53 0.00 0.00 34.83 30.65 1oi8 s MET 493 CO 0.07 0.57 0.12 0.00 -2.03 0.00 0.00 175.02 173.75 1oi8 s ALA 494 N -1.09 3.73 0.00 3.16 0.00 -0.36 -1.11 121.76 126.08 1oi8 s ALA 494 Ca 0.19 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1oi8 s ALA 494 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1oi8 s ALA 494 CO 0.11 0.69 0.00 -2.37 0.00 0.00 0.00 175.76 174.19 1oi8 n THR 495 N 1.26 0.00 -3.79 0.00 5.66 -0.16 -2.46 114.28 114.79 1oi8 n THR 495 Ca -0.14 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.55 1oi8 n THR 495 Cb 0.53 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.27 1oi8 n THR 495 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1oi8 s LEU 496 N 0.00 4.32 0.25 1.09 2.01 -1.26 -0.99 118.68 124.09 1oi8 s LEU 496 Ca 0.00 0.44 -0.06 0.00 0.01 0.00 0.00 54.13 54.52 1oi8 s LEU 496 Cb 0.00 -3.11 0.46 0.00 0.01 0.00 0.00 46.19 43.54 1oi8 s LEU 496 CO 0.00 0.12 1.66 -0.55 1.01 0.00 0.00 176.35 178.58 1oi8 h ASN 497 N 3.00 -0.18 -0.47 2.29 -1.07 -1.13 -0.25 115.58 117.77 1oi8 h ASN 497 Ca -0.46 0.17 0.08 0.00 0.07 0.00 0.00 56.30 56.17 1oi8 h ASN 497 Cb 1.16 0.28 -0.10 0.00 -2.07 0.00 0.00 38.32 37.59 1oi8 h ASN 497 CO 0.74 -0.12 -0.39 0.15 0.07 0.00 0.00 177.43 177.88 1oi8 h PHE 498 N 0.17 -1.12 -0.40 4.14 3.57 -1.94 -0.67 116.94 120.70 1oi8 h PHE 498 Ca 0.42 0.07 -0.08 0.00 3.53 0.00 0.00 57.97 61.91 1oi8 h PHE 498 Cb 0.74 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 1oi8 h PHE 498 CO -0.34 -0.41 -0.06 -0.91 -2.23 0.00 0.00 178.31 174.36 1oi8 h ASN 499 N -0.26 0.74 0.04 0.41 2.35 -1.63 0.18 115.58 117.41 1oi8 h ASN 499 Ca 0.17 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.55 1oi8 h ASN 499 Cb 0.56 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1oi8 h ASN 499 CO -0.61 0.91 -0.08 0.00 -1.65 0.00 0.00 177.43 176.00 1oi8 h ALA 500 N 0.86 1.71 -0.43 -0.83 0.00 -0.55 -1.74 119.26 118.28 1oi8 h ALA 500 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1oi8 h ALA 500 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1oi8 h ALA 500 CO 0.03 0.22 0.00 0.25 0.00 0.00 0.00 179.25 179.75 1oi8 n THR 501 N -4.37 0.86 0.00 0.00 -2.24 -0.30 -0.50 114.28 107.73 1oi8 n THR 501 Ca -0.02 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1oi8 n THR 501 Cb 0.20 0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 1oi8 n THR 501 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oi8 n GLY 502 N 1.03 0.51 3.63 3.38 0.00 -0.65 -4.90 105.19 108.19 1oi8 n GLY 502 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 1oi8 n GLY 502 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oi8 n GLY 503 N -1.50 -0.17 2.24 -0.02 0.00 0.63 -1.34 105.19 105.03 1oi8 n GLY 503 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1oi8 n GLY 503 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1oi8 n ASP 504 N -0.36 -4.03 -0.08 1.61 8.00 -1.26 -1.65 116.55 118.78 1oi8 n ASP 504 Ca 0.12 0.27 -0.01 0.00 0.71 0.00 0.00 54.79 55.88 1oi8 n ASP 504 Cb 0.45 -3.58 -0.00 0.00 -0.02 0.00 0.00 41.12 37.96 1oi8 n ASP 504 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oi8 n GLY 505 N -0.51 0.48 3.77 0.44 0.00 -0.45 -4.89 105.19 104.03 1oi8 n GLY 505 Ca -0.15 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1oi8 n GLY 505 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1oi8 s TYR 506 N -1.90 2.59 0.18 1.61 1.51 -0.66 -4.92 117.35 115.76 1oi8 s TYR 506 Ca 0.00 1.55 -0.32 0.00 -1.01 0.00 0.00 57.07 57.29 1oi8 s TYR 506 Cb 0.00 -3.26 -0.11 0.00 -0.11 0.00 0.00 41.96 38.47 1oi8 s TYR 506 CO 0.00 -1.73 1.78 -2.14 -1.11 0.00 0.00 175.55 172.34 1oi8 s PRO 507 N -3.68 4.12 0.25 -1.71 0.02 -1.26 -4.10 135.00 128.64 1oi8 s PRO 507 Ca 0.71 2.62 -0.31 0.00 0.02 0.00 0.00 61.00 64.04 1oi8 s PRO 507 Cb -0.23 -3.29 -0.12 0.00 0.02 0.00 0.00 34.50 30.88 1oi8 s PRO 507 CO 0.35 -0.80 1.57 0.54 -0.33 0.00 0.00 177.00 178.33 1oi8 n ARG 508 N 4.69 2.49 -0.00 5.54 1.74 -1.26 -4.66 116.66 125.20 1oi8 n ARG 508 Ca 0.17 0.89 0.01 0.00 -0.77 0.00 0.00 57.85 58.15 1oi8 n ARG 508 Cb 0.36 -2.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.13 1oi8 n ARG 508 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1oi8 n LEU 509 N 2.63 0.14 0.25 0.55 4.77 0.35 -4.80 117.00 120.88 1oi8 n LEU 509 Ca 0.12 -0.49 0.14 0.00 -0.03 0.00 0.00 56.01 55.75 1oi8 n LEU 509 Cb 0.34 0.00 0.47 0.00 -2.33 0.00 0.00 43.42 41.90 1oi8 n LEU 509 CO 0.64 0.04 0.89 -2.24 -1.33 0.00 0.00 177.39 175.38 1oi8 h ASP 510 N 0.00 0.00 -0.02 -1.43 2.03 -1.87 -1.78 116.42 113.35 1oi8 h ASP 510 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1oi8 h ASP 510 Cb 0.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1oi8 h ASP 510 CO 0.00 0.06 0.00 -0.46 -1.03 0.00 0.00 179.24 177.81 1oi8 n ASN 511 N -3.15 1.42 -4.84 4.15 0.23 -1.26 -4.94 115.26 106.87 1oi8 n ASN 511 Ca 0.02 -1.48 -0.34 0.00 -0.53 0.00 0.00 54.58 52.25 1oi8 n ASN 511 Cb 0.41 -0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.05 1oi8 n ASN 511 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1oi8 s LYS 512 N -2.00 4.01 0.51 -3.83 -0.14 -0.67 -5.05 119.74 112.58 1oi8 s LYS 512 Ca 0.38 0.59 -0.21 0.00 -1.36 0.00 0.00 55.97 55.37 1oi8 s LYS 512 Cb 0.21 -2.71 -0.06 0.00 -1.68 0.00 0.00 37.83 33.59 1oi8 s LYS 512 CO 0.34 0.33 1.19 -2.14 -0.76 0.00 0.00 175.35 174.31 1oi8 s PRO 513 N -2.44 3.44 0.00 -1.68 0.02 -1.26 -2.66 135.00 130.42 1oi8 s PRO 513 Ca 0.46 1.81 0.00 0.00 0.02 0.00 0.00 61.00 63.29 1oi8 s PRO 513 Cb -0.13 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.18 1oi8 s PRO 513 CO 0.19 -0.82 0.00 0.41 -0.33 0.00 0.00 177.00 176.45 1oi8 n GLY 514 N 0.43 2.97 3.76 0.52 0.00 -1.26 -4.81 105.19 106.80 1oi8 n GLY 514 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1oi8 n GLY 514 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1oi8 s TYR 515 N -2.29 3.31 -0.03 1.61 5.04 -1.09 -1.40 117.35 122.51 1oi8 s TYR 515 Ca 0.00 1.53 -0.00 0.00 -2.44 0.00 0.00 57.07 56.16 1oi8 s TYR 515 Cb 0.00 -3.49 0.03 0.00 0.35 0.00 0.00 41.96 38.85 1oi8 s TYR 515 CO 0.00 -1.25 0.02 0.08 -1.34 0.00 0.00 175.55 173.06 1oi8 s VAL 516 N -1.02 0.06 -0.36 3.14 1.01 -0.23 -4.99 120.40 118.03 1oi8 s VAL 516 Ca 0.48 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 62.48 1oi8 s VAL 516 Cb -0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.81 1oi8 s VAL 516 CO 0.46 0.14 0.43 0.21 0.00 0.00 0.00 175.10 176.34 1oi8 s ASN 517 N 1.29 6.23 0.30 3.32 3.84 -1.26 -1.10 114.94 127.57 1oi8 s ASN 517 Ca -0.06 -0.22 0.24 0.00 0.21 0.00 0.00 52.86 53.04 1oi8 s ASN 517 Cb -0.13 -2.23 0.52 0.00 -0.55 0.00 0.00 41.25 38.86 1oi8 s ASN 517 CO -0.03 -0.43 1.62 0.71 -2.79 0.00 0.00 177.10 176.19 1oi8 h THR 518 N 5.60 0.00 0.00 -5.21 1.35 -1.82 -3.43 112.91 109.40 1oi8 h THR 518 Ca -0.29 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1oi8 h THR 518 Cb 1.13 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.22 1oi8 h THR 518 CO 0.74 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.62 1oi8 n GLY 519 N 1.21 2.48 3.75 5.82 0.00 -1.25 -4.95 105.19 112.24 1oi8 n GLY 519 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1oi8 n GLY 519 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1oi8 s PHE 520 N -2.86 3.61 0.07 1.61 0.08 -1.26 -4.82 117.98 114.40 1oi8 s PHE 520 Ca 0.00 1.64 -0.26 0.00 0.12 0.00 0.00 56.93 58.44 1oi8 s PHE 520 Cb 0.00 -3.26 -0.06 0.00 -0.57 0.00 0.00 43.02 39.13 1oi8 s PHE 520 CO 0.00 -0.54 0.80 0.42 -0.10 0.00 0.00 175.22 175.80 1oi8 s ILE 521 N -0.58 4.65 0.26 0.64 -1.09 -1.26 -0.03 121.20 123.79 1oi8 s ILE 521 Ca 0.47 1.71 -0.04 0.00 -2.23 0.00 0.00 60.65 60.56 1oi8 s ILE 521 Cb -0.30 -4.15 0.29 0.00 -1.58 0.00 0.00 42.46 36.72 1oi8 s ILE 521 CO 0.37 0.37 1.64 -2.24 -1.23 0.00 0.00 174.94 173.85 1oi8 h ASP 522 N 5.49 -0.25 -0.20 3.58 3.04 -1.00 -0.44 116.42 126.65 1oi8 h ASP 522 Ca -0.44 0.20 -0.16 0.00 -3.24 0.00 0.00 57.03 53.39 1oi8 h ASP 522 Cb 1.21 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 39.82 1oi8 h ASP 522 CO 0.70 -0.17 -0.50 0.00 -2.04 0.00 0.00 179.24 177.23 1oi8 h ALA 523 N 1.73 0.33 -0.37 4.15 0.00 -1.83 -1.47 119.26 121.79 1oi8 h ALA 523 Ca 0.45 -0.49 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1oi8 h ALA 523 Cb 0.84 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1oi8 h ALA 523 CO -0.67 0.50 0.13 1.49 0.00 0.00 0.00 179.25 180.71 1oi8 h GLU 524 N 0.39 0.27 -0.51 0.00 4.22 -1.76 0.56 114.58 117.75 1oi8 h GLU 524 Ca -0.01 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.41 1oi8 h GLU 524 Cb 1.11 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1oi8 h GLU 524 CO 0.11 0.18 0.28 0.28 -2.18 0.00 0.00 179.01 177.68 1oi8 h VAL 525 N 0.28 1.17 -0.65 0.32 2.07 -0.93 -0.24 116.25 118.27 1oi8 h VAL 525 Ca 0.17 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1oi8 h VAL 525 Cb 0.15 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1oi8 h VAL 525 CO -0.18 0.18 0.16 0.25 0.02 0.00 0.00 177.57 178.01 1oi8 h LEU 526 N 0.68 0.99 -0.18 2.57 5.85 -1.15 -1.59 115.31 122.47 1oi8 h LEU 526 Ca 0.18 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1oi8 h LEU 526 Cb 0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1oi8 h LEU 526 CO -0.03 0.96 0.08 0.50 -0.34 0.00 0.00 178.44 179.61 1oi8 h LYS 527 N 0.96 0.27 -0.26 1.25 3.11 -0.62 -1.31 116.57 119.97 1oi8 h LYS 527 Ca 0.20 -0.05 -0.09 0.00 -2.81 0.00 0.00 60.65 57.91 1oi8 h LYS 527 Cb 0.36 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1oi8 h LYS 527 CO 0.00 0.34 -0.21 0.00 -2.81 0.00 0.00 179.45 176.77 1oi8 h ALA 528 N 0.92 1.15 -0.35 5.00 0.00 -0.98 -0.48 119.26 124.52 1oi8 h ALA 528 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 1oi8 h ALA 528 Cb 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1oi8 h ALA 528 CO -0.01 0.54 -0.07 -0.92 0.00 0.00 0.00 179.25 178.79 1oi8 h TYR 529 N 0.43 0.75 -0.33 0.00 3.20 -1.07 -2.34 116.97 117.62 1oi8 h TYR 529 Ca 0.07 -0.16 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1oi8 h TYR 529 Cb 0.61 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1oi8 h TYR 529 CO 0.02 0.82 0.19 0.82 -1.64 0.00 0.00 178.16 178.38 1oi8 h ILE 530 N 0.47 1.03 -0.74 1.81 2.04 -1.01 -1.36 117.51 119.74 1oi8 h ILE 530 Ca 0.09 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.91 1oi8 h ILE 530 Cb 0.57 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.18 1oi8 h ILE 530 CO 0.03 0.07 0.39 1.56 0.00 0.00 0.00 178.15 180.20 1oi8 h GLN 531 N 0.40 0.64 -0.00 2.37 4.20 -0.88 -0.70 115.11 121.13 1oi8 h GLN 531 Ca 0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1oi8 h GLN 531 Cb 0.00 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1oi8 h GLN 531 CO -0.06 0.42 -0.30 0.36 -0.67 0.00 0.00 178.83 178.57 1oi8 n LYS 532 N -4.83 0.39 0.00 1.46 2.85 -0.90 -3.87 118.16 113.26 1oi8 n LYS 532 Ca 0.12 -0.20 0.03 0.00 -1.05 0.00 0.00 58.31 57.21 1oi8 n LYS 532 Cb 0.27 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.14 1oi8 n LYS 532 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1oi8 n SER 533 N -1.13 0.59 -4.77 -5.58 7.64 -0.54 -5.03 113.62 104.80 1oi8 n SER 533 Ca 0.09 -0.80 -0.38 0.00 1.01 0.00 0.00 58.87 58.80 1oi8 n SER 533 Cb 0.33 0.77 -0.03 0.00 -1.01 0.00 0.00 64.21 64.27 1oi8 n SER 533 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1oi8 s SER 534 N -1.36 6.72 0.27 6.43 0.15 -0.31 -3.99 113.70 121.61 1oi8 s SER 534 Ca 0.04 2.27 -0.29 0.00 0.70 0.00 0.00 55.95 58.67 1oi8 s SER 534 Cb 0.05 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.66 1oi8 s SER 534 CO 0.22 -0.53 1.01 -2.16 1.20 0.00 0.00 173.24 172.98 1oi8 s PRO 535 N -2.17 4.70 0.10 5.44 0.04 -1.26 -4.99 135.00 136.86 1oi8 s PRO 535 Ca 0.55 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 1oi8 s PRO 535 Cb -0.29 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 1oi8 s PRO 535 CO 0.37 0.34 0.98 -0.51 0.04 0.00 0.00 177.00 178.22 1oi8 s LEU 536 N -1.47 4.48 -0.44 -3.56 1.43 -0.39 -4.99 118.68 113.75 1oi8 s LEU 536 Ca 0.44 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 55.23 1oi8 s LEU 536 Cb -0.27 -3.59 0.07 0.00 0.03 0.00 0.00 46.19 42.43 1oi8 s LEU 536 CO 0.34 -0.11 0.33 -0.62 0.23 0.00 0.00 176.35 176.52 1oi8 s ASP 537 N 0.13 5.92 0.59 2.29 2.15 -1.26 -2.16 116.67 124.33 1oi8 s ASP 537 Ca 0.48 -1.35 0.39 0.00 0.43 0.00 0.00 52.55 52.50 1oi8 s ASP 537 Cb -0.24 -2.10 2.12 0.00 -0.30 0.00 0.00 42.92 42.41 1oi8 s ASP 537 CO 0.30 -0.58 2.19 -0.37 -0.17 0.00 0.00 175.17 176.55 1oi8 h VAL 538 N 5.88 0.00 -0.02 1.11 -1.51 -1.91 -1.47 116.25 118.33 1oi8 h VAL 538 Ca -0.26 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.14 1oi8 h VAL 538 Cb 1.10 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 31.12 1oi8 h VAL 538 CO 0.81 0.00 -0.30 0.77 -1.23 0.00 0.00 177.57 177.62 1oi8 h SER 539 N 0.00 0.04 0.19 4.19 4.64 -1.97 -1.50 113.55 119.14 1oi8 h SER 539 Ca 0.00 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.29 1oi8 h SER 539 Cb 0.04 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1oi8 h SER 539 CO 0.00 0.34 -0.10 0.58 -0.87 0.00 0.00 176.83 176.78 1oi8 h VAL 540 N 0.04 0.77 -0.55 0.95 2.07 -1.70 -3.01 116.25 114.82 1oi8 h VAL 540 Ca 0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1oi8 h VAL 540 Cb 0.55 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1oi8 h VAL 540 CO 0.04 0.10 0.00 -1.22 0.02 0.00 0.00 177.57 176.51 1oi8 n TYR 541 N -3.98 0.73 -2.78 1.57 4.01 -0.59 -4.99 117.16 111.13 1oi8 n TYR 541 Ca -0.02 -0.45 -0.42 0.00 -0.16 0.00 0.00 57.90 56.84 1oi8 n TYR 541 Cb 0.19 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 1oi8 n TYR 541 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1oi8 s GLU 542 N -1.06 4.23 0.46 -0.72 2.56 -1.05 -4.09 118.70 119.04 1oi8 s GLU 542 Ca 0.39 1.15 -0.24 0.00 0.00 0.00 0.00 54.97 56.27 1oi8 s GLU 542 Cb 0.21 -3.63 -0.07 0.00 2.00 0.00 0.00 34.13 32.63 1oi8 s GLU 542 CO 0.27 -0.54 1.31 -2.14 -0.56 0.00 0.00 175.26 173.60 1oi8 s PRO 543 N 2.91 3.65 -0.30 4.30 0.02 -1.26 -4.97 135.00 139.35 1oi8 s PRO 543 Ca 0.40 2.14 0.16 0.00 0.02 0.00 0.00 61.00 63.71 1oi8 s PRO 543 Cb -0.15 -2.53 0.48 0.00 0.02 0.00 0.00 34.50 32.31 1oi8 s PRO 543 CO 0.08 -0.75 1.11 1.63 -0.33 0.00 0.00 177.00 178.73 1oi8 n LYS 544 N -0.37 2.38 -1.90 5.54 5.02 -1.26 -4.97 118.16 122.59 1oi8 n LYS 544 Ca 0.06 -3.77 -0.15 0.00 -2.02 0.00 0.00 58.31 52.44 1oi8 n LYS 544 Cb 0.45 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1oi8 n LYS 544 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oi8 n GLY 545 N -0.53 0.56 0.37 0.72 0.00 -1.26 -4.92 105.19 100.12 1oi8 n GLY 545 Ca 0.22 -0.29 0.02 0.00 0.00 0.00 0.00 46.02 45.97 1oi8 n GLY 545 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1oi8 h GLU 546 N 0.00 1.11 -5.98 1.61 3.07 -1.92 -3.39 114.58 109.08 1oi8 h GLU 546 Ca -0.33 -0.07 -0.68 0.00 -0.50 0.00 0.00 59.36 57.78 1oi8 h GLU 546 Cb 1.13 -0.25 -0.16 0.00 -0.84 0.00 0.00 28.75 28.63 1oi8 h GLU 546 CO 0.43 0.73 -0.64 0.14 -1.40 0.00 0.00 179.01 178.28 1oi8 s VAL 547 N -5.98 4.19 0.11 3.13 -7.23 -1.26 -1.43 120.40 111.92 1oi8 s VAL 547 Ca -0.12 -0.29 -0.15 0.00 -1.81 0.00 0.00 61.98 59.61 1oi8 s VAL 547 Cb 0.19 -2.76 0.03 0.00 0.56 0.00 0.00 36.38 34.40 1oi8 s VAL 547 CO 0.81 0.60 0.36 -0.94 -0.31 0.00 0.00 175.10 175.61 1oi8 s SER 548 N -0.81 -0.17 -0.10 4.85 1.04 -0.84 -4.95 113.70 112.72 1oi8 s SER 548 Ca 0.12 -0.34 0.03 0.00 0.48 0.00 0.00 55.95 56.24 1oi8 s SER 548 Cb -0.11 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1oi8 s SER 548 CO 0.02 -0.80 -0.18 0.26 0.98 0.00 0.00 173.24 173.52 1oi8 s TRP 549 N -3.62 2.15 -0.26 5.02 0.51 -1.26 -0.34 118.94 121.14 1oi8 s TRP 549 Ca 0.02 -0.96 -0.21 0.00 -2.12 0.00 0.00 56.10 52.83 1oi8 s TRP 549 Cb 0.02 -1.50 -0.01 0.00 -0.81 0.00 0.00 33.47 31.16 1oi8 s TRP 549 CO -0.10 -0.45 0.67 -1.14 -0.51 0.00 0.00 176.95 175.41 1oi8 s GLN 550 N 0.74 4.08 0.00 4.98 2.00 -0.54 -4.96 119.66 125.97 1oi8 s GLN 550 Ca -0.11 0.58 0.00 0.00 -2.00 0.00 0.00 55.36 53.83 1oi8 s GLN 550 Cb -0.16 -3.66 0.00 0.00 0.80 0.00 0.00 33.01 29.99 1oi8 s GLN 550 CO 0.02 -0.47 0.00 -0.85 -0.50 0.00 0.00 175.29 173.49