#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3o n GLU 35 N 0.00 2.03 -0.26 1.97 4.07 -1.26 -4.61 120.64 122.59 2o3o n GLU 35 Ca 0.00 0.00 0.26 0.00 -0.06 0.00 0.00 57.16 57.36 2o3o n GLU 35 Cb 0.00 -0.74 0.63 0.00 -0.06 0.00 0.00 31.44 31.26 2o3o n GLU 35 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 2o3o h TYR 36 N 0.00 0.29 -0.02 4.31 -0.00 -2.05 -1.94 116.97 117.57 2o3o h TYR 36 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 58.64 2o3o h TYR 36 Cb 0.45 -0.09 0.01 0.00 0.00 0.00 0.00 36.73 37.10 2o3o h TYR 36 CO 0.00 0.05 -0.40 1.49 -0.00 0.00 0.00 178.16 179.30 2o3o h GLU 37 N 0.19 0.30 -0.77 0.10 4.57 -1.99 -0.43 114.58 116.56 2o3o h GLU 37 Ca 0.51 -0.30 0.11 0.00 -1.18 0.00 0.00 59.36 58.50 2o3o h GLU 37 Cb 1.65 0.08 -0.08 0.00 -0.16 0.00 0.00 28.75 30.24 2o3o h GLU 37 CO -0.12 0.99 0.39 0.28 -1.18 0.00 0.00 179.01 179.37 2o3o h VAL 38 N -0.28 0.81 0.11 0.32 2.07 -1.72 -1.94 116.25 115.63 2o3o h VAL 38 Ca -0.05 -0.21 -0.28 0.00 0.82 0.00 0.00 66.70 66.99 2o3o h VAL 38 Cb 1.12 0.13 0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2o3o h VAL 38 CO 0.08 0.11 -1.20 0.40 0.02 0.00 0.00 177.57 176.98 2o3o h ILE 39 N 0.62 1.41 -0.72 4.57 1.08 -1.39 -2.46 117.51 120.62 2o3o h ILE 39 Ca 0.39 -2.76 -0.05 0.00 -0.39 0.00 0.00 64.86 62.05 2o3o h ILE 39 Cb 0.46 2.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.97 2o3o h ILE 39 CO -0.30 0.82 0.27 0.11 -0.69 0.00 0.00 178.15 178.35 2o3o h LYS 40 N 0.16 1.09 0.00 2.37 1.57 -0.87 -1.60 116.57 119.30 2o3o h LYS 40 Ca -0.15 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.35 2o3o h LYS 40 Cb 1.89 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 34.02 2o3o h LYS 40 CO 0.21 0.91 -0.35 -2.95 -0.57 0.00 0.00 179.45 176.71 2o3o h ASN 41 N 1.05 0.00 -0.11 0.86 -1.07 -1.41 -0.48 115.58 114.42 2o3o h ASN 41 Ca 0.24 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.60 2o3o h ASN 41 Cb 0.24 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.49 2o3o h ASN 41 CO -0.02 0.35 0.02 0.44 0.07 0.00 0.00 177.43 178.29 2o3o h ASP 42 N 0.00 0.17 -0.54 6.14 5.19 -1.14 -2.14 116.42 124.10 2o3o h ASP 42 Ca -0.00 -0.25 0.06 0.00 -0.62 0.00 0.00 57.03 56.22 2o3o h ASP 42 Cb 1.19 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 40.60 2o3o h ASP 42 CO 0.04 0.38 0.25 0.58 -3.12 0.00 0.00 179.24 177.37 2o3o h VAL 43 N -0.04 0.91 -0.42 -1.35 2.07 -1.20 -1.11 116.25 115.11 2o3o h VAL 43 Ca 0.03 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.48 2o3o h VAL 43 Cb 0.28 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.34 2o3o h VAL 43 CO 0.00 0.09 -0.26 -0.08 0.02 0.00 0.00 177.57 177.34 2o3o h GLU 44 N 0.48 -0.18 0.49 1.57 4.57 -0.95 -2.46 114.58 118.10 2o3o h GLU 44 Ca 0.25 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2o3o h GLU 44 Cb 0.20 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2o3o h GLU 44 CO -0.20 -0.12 -0.23 0.45 -1.18 0.00 0.00 179.01 177.73 2o3o h HIS 45 N -0.18 -0.61 0.00 0.92 3.86 -1.09 -2.84 115.15 115.21 2o3o h HIS 45 Ca 0.19 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2o3o h HIS 45 Cb 0.49 0.20 0.00 0.00 1.06 0.00 0.00 27.41 29.16 2o3o h HIS 45 CO -0.50 -0.38 0.00 -0.25 0.86 0.00 0.00 177.93 177.67 2o3o n ASP 46 N -5.37 0.00 0.00 2.45 10.43 -0.45 -1.38 116.55 122.24 2o3o n ASP 46 Ca -0.12 -0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.16 2o3o n ASP 46 Cb 0.27 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.23 2o3o n ASP 46 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2o3o n LYS 48 N 0.95 0.00 0.15 -1.24 3.00 -1.07 -2.42 118.16 117.53 2o3o n LYS 48 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.49 2o3o n LYS 48 Cb 0.00 0.00 0.78 0.00 0.00 0.00 0.00 35.03 35.81 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2o3o h ALA 49 N 0.00 1.99 -0.62 3.14 0.00 -1.53 0.48 119.26 122.72 2o3o h ALA 49 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2o3o h ALA 49 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2o3o h ALA 49 CO 0.00 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 2o3o n ASP 50 N -3.86 4.55 -3.93 0.00 9.92 -1.02 -4.98 116.55 117.24 2o3o n ASP 50 Ca 0.04 -2.42 -0.38 0.00 -0.53 0.00 0.00 54.79 51.50 2o3o n ASP 50 Cb 0.44 -0.57 0.02 0.00 -0.64 0.00 0.00 41.12 40.38 2o3o n ASP 50 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 2o3o n HIS 51 N 1.07 -1.66 -4.46 1.24 8.25 0.17 -1.71 115.22 118.12 2o3o n HIS 51 Ca 0.25 0.33 -0.34 0.00 -0.26 0.00 0.00 57.72 57.70 2o3o n HIS 51 Cb 0.85 -2.90 -0.12 0.00 1.12 0.00 0.00 29.99 28.94 2o3o n HIS 51 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2o3o s ILE 52 N -3.37 3.75 -0.09 1.59 1.01 -1.26 -2.85 121.20 119.98 2o3o s ILE 52 Ca 0.36 -0.41 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 2o3o s ILE 52 Cb -0.19 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2o3o s ILE 52 CO 0.93 0.50 0.12 -0.89 0.00 0.00 0.00 174.94 175.60 2o3o s THR 53 N 0.36 5.23 -0.21 2.92 2.01 -0.76 -4.73 115.64 120.47 2o3o s THR 53 Ca -0.05 0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2o3o s THR 53 Cb -0.14 -3.29 0.04 0.00 0.01 0.00 0.00 72.50 69.12 2o3o s THR 53 CO 0.03 0.57 -0.11 -0.72 -0.69 0.00 0.00 174.62 173.70 2o3o s TYR 54 N -1.05 2.61 -0.70 4.92 -0.85 -1.26 -2.48 117.35 118.53 2o3o s TYR 54 Ca 0.17 -1.74 -0.26 0.00 -0.52 0.00 0.00 57.07 54.71 2o3o s TYR 54 Cb -0.12 -1.72 0.04 0.00 0.38 0.00 0.00 41.96 40.54 2o3o s TYR 54 CO 0.06 -0.78 1.21 -1.21 -1.52 0.00 0.00 175.55 173.31 2o3o s GLU 55 N 1.33 3.23 -0.87 -3.49 2.02 -1.25 -4.60 118.70 115.07 2o3o s GLU 55 Ca -0.02 -0.26 -0.10 0.00 0.02 0.00 0.00 54.97 54.61 2o3o s GLU 55 Cb -0.17 -4.16 0.01 0.00 0.10 0.00 0.00 34.13 29.92 2o3o s GLU 55 CO -0.08 -2.01 0.18 0.41 0.02 0.00 0.00 175.26 173.78 2o3o n GLY 56 N 5.32 -0.26 3.83 -1.39 0.00 -1.26 -4.88 105.19 106.55 2o3o n GLY 56 Ca 0.03 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2o3o n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2o3o s LEU 57 N -6.07 4.34 0.25 0.99 1.43 -1.26 -5.01 118.68 113.35 2o3o s LEU 57 Ca 0.13 1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 54.15 2o3o s LEU 57 Cb -0.08 -3.40 -0.12 0.00 0.03 0.00 0.00 46.19 42.63 2o3o s LEU 57 CO 0.61 0.08 1.58 -3.20 0.23 0.00 0.00 176.35 175.65 2o3o n ASN 58 N 0.79 3.55 -0.00 2.29 2.85 -1.26 -4.92 115.26 118.56 2o3o n ASN 58 Ca -0.04 1.12 0.09 0.00 -0.11 0.00 0.00 54.58 55.64 2o3o n ASN 58 Cb 0.51 -1.53 -0.11 0.00 1.24 0.00 0.00 39.78 39.89 2o3o n ASN 58 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2o3o n LYS 59 N 2.67 0.95 -3.22 1.20 5.02 -1.26 -3.29 118.16 120.23 2o3o n LYS 59 Ca 0.12 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.98 2o3o n LYS 59 Cb 0.34 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 2o3o n LYS 59 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2o3o s GLU 60 N -2.83 4.19 0.59 1.97 0.41 -1.26 -4.93 118.70 116.84 2o3o s GLU 60 Ca 0.04 0.46 -0.19 0.00 -0.41 0.00 0.00 54.97 54.87 2o3o s GLU 60 Cb 0.13 -3.57 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 2o3o s GLU 60 CO 0.75 -0.17 1.22 0.00 -0.49 0.00 0.00 175.26 176.56 2o3o s ALA 61 N 1.70 2.57 0.26 5.21 0.00 -1.26 -4.88 121.76 125.35 2o3o s ALA 61 Ca 0.25 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.30 2o3o s ALA 61 Cb -0.16 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.45 2o3o s ALA 61 CO 0.10 -1.17 -0.06 0.95 0.00 0.00 0.00 175.76 175.58 2o3o s THR 62 N -1.57 1.49 0.42 0.00 -4.23 -1.26 -5.04 115.64 105.46 2o3o s THR 62 Ca 0.77 -2.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2o3o s THR 62 Cb -0.31 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.16 2o3o s THR 62 CO 0.34 -0.35 0.63 -1.61 -0.54 0.00 0.00 174.62 173.09 2o3o s GLU 63 N -3.75 3.12 0.01 3.99 0.41 -1.26 -1.15 118.70 120.07 2o3o s GLU 63 Ca 0.28 -0.52 -0.28 0.00 -0.41 0.00 0.00 54.97 54.04 2o3o s GLU 63 Cb 0.04 -2.60 0.10 0.00 -1.78 0.00 0.00 34.13 29.88 2o3o s GLU 63 CO 0.10 -0.18 0.83 0.20 -0.49 0.00 0.00 175.26 175.72 2o3o s GLY 64 N -4.19 -0.49 0.17 -1.39 0.00 0.16 -4.77 107.32 96.81 2o3o s GLY 64 Ca 0.47 1.02 0.08 0.00 0.00 0.00 0.00 44.72 46.29 2o3o s GLY 64 CO 0.37 0.40 -0.04 -0.19 0.00 0.00 0.00 173.10 173.64 2o3o s TYR 65 N -2.94 2.76 -0.16 1.90 1.51 -1.26 0.54 117.35 119.70 2o3o s TYR 65 Ca 0.03 -0.16 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 2o3o s TYR 65 Cb -0.01 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2o3o s TYR 65 CO -0.08 0.51 0.36 0.50 -1.11 0.00 0.00 175.55 175.73 2o3o s ARG 66 N -2.81 4.26 0.03 -0.62 3.52 -0.25 -4.44 118.95 118.63 2o3o s ARG 66 Ca 0.26 0.19 0.04 0.00 -0.13 0.00 0.00 55.73 56.09 2o3o s ARG 66 Cb -0.09 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2o3o s ARG 66 CO 0.17 0.16 -0.05 0.42 -0.81 0.00 0.00 175.30 175.18 2o3o s ILE 67 N 0.70 3.73 0.13 4.11 -1.09 -1.04 -1.11 121.20 126.63 2o3o s ILE 67 Ca 0.19 -0.85 0.08 0.00 -2.23 0.00 0.00 60.65 57.85 2o3o s ILE 67 Cb -0.14 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2o3o s ILE 67 CO 0.06 0.31 -0.14 0.42 -1.23 0.00 0.00 174.94 174.36 2o3o s THR 68 N -1.08 3.06 0.24 2.92 -4.23 0.29 0.74 115.64 117.58 2o3o s THR 68 Ca 0.19 -1.48 0.01 0.00 -1.18 0.00 0.00 61.69 59.23 2o3o s THR 68 Cb -0.11 -2.44 -0.03 0.00 1.34 0.00 0.00 72.50 71.26 2o3o s THR 68 CO 0.10 0.05 0.20 0.00 -0.54 0.00 0.00 174.62 174.43 2o3o s ALA 69 N -1.30 1.27 0.01 3.99 0.00 -0.83 -0.50 121.76 124.40 2o3o s ALA 69 Ca 0.20 -1.76 0.04 0.00 0.00 0.00 0.00 51.96 50.45 2o3o s ALA 69 Cb -0.10 1.39 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 2o3o s ALA 69 CO 0.12 -0.63 -0.08 -0.80 0.00 0.00 0.00 175.76 174.37 2o3o s ASN 70 N -3.21 4.50 -0.30 0.00 -0.87 0.19 -2.31 114.94 112.94 2o3o s ASN 70 Ca 0.38 -0.19 -0.29 0.00 -1.57 0.00 0.00 52.86 51.19 2o3o s ASN 70 Cb 0.05 -1.00 -0.00 0.00 -0.02 0.00 0.00 41.25 40.27 2o3o s ASN 70 CO 0.16 0.27 1.40 -1.58 -2.57 0.00 0.00 177.10 174.79 2o3o s GLN 71 N -1.45 3.83 0.21 -0.60 2.00 -1.26 -0.72 119.66 121.68 2o3o s GLN 71 Ca 0.17 1.31 -0.32 0.00 -2.00 0.00 0.00 55.36 54.52 2o3o s GLN 71 Cb -0.11 -3.94 -0.13 0.00 0.80 0.00 0.00 33.01 29.63 2o3o s GLN 71 CO 0.07 -1.23 1.51 1.17 -0.50 0.00 0.00 175.29 176.31 2o3o n LYS 72 N 7.52 2.18 -3.80 1.67 3.00 0.13 -4.95 118.16 123.90 2o3o n LYS 72 Ca 0.16 0.78 -0.37 0.00 -0.00 0.00 0.00 58.31 58.88 2o3o n LYS 72 Cb 0.46 -2.50 -0.13 0.00 0.00 0.00 0.00 35.03 32.86 2o3o n LYS 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2o3o s SER 73 N 0.60 4.94 -0.13 3.14 0.15 -1.26 -4.41 113.70 116.72 2o3o s SER 73 Ca 0.72 -0.58 -0.25 0.00 0.70 0.00 0.00 55.95 56.55 2o3o s SER 73 Cb -0.64 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 2o3o s SER 73 CO 0.44 -0.13 0.78 -0.36 1.20 0.00 0.00 173.24 175.17 2o3o s PHE 74 N 1.50 3.47 0.52 3.44 0.40 0.02 -4.99 117.98 122.35 2o3o s PHE 74 Ca 0.04 1.24 -0.05 0.00 -0.60 0.00 0.00 56.93 57.56 2o3o s PHE 74 Cb -0.16 -2.94 -0.02 0.00 0.51 0.00 0.00 43.02 40.41 2o3o s PHE 74 CO 0.01 -0.13 0.81 -1.54 0.70 0.00 0.00 175.22 175.08 2o3o s SER 75 N 1.05 5.98 0.30 1.36 1.04 -1.26 -4.44 113.70 117.74 2o3o s SER 75 Ca 0.38 0.79 0.04 0.00 0.48 0.00 0.00 55.95 57.64 2o3o s SER 75 Cb -0.17 -1.99 0.66 0.00 0.10 0.00 0.00 66.02 64.62 2o3o s SER 75 CO 0.15 -0.76 1.83 0.50 0.98 0.00 0.00 173.24 175.93 2o3o h LYS 76 N 0.10 0.85 -0.11 4.02 3.64 -1.96 -1.53 116.57 121.58 2o3o h LYS 76 Ca -0.46 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.69 2o3o h LYS 76 Cb 1.23 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2o3o h LYS 76 CO 0.61 0.56 -0.68 0.93 -2.27 0.00 0.00 179.45 178.60 2o3o h GLU 77 N 0.87 0.46 0.05 1.90 5.08 -1.98 -2.70 114.58 118.26 2o3o h GLU 77 Ca 0.51 -0.35 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2o3o h GLU 77 Cb 0.65 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2o3o h GLU 77 CO -0.29 0.97 -0.02 0.93 -1.00 0.00 0.00 179.01 179.61 2o3o h GLU 78 N 0.32 -0.06 0.01 2.33 5.08 -1.77 -2.76 114.58 117.74 2o3o h GLU 78 Ca -0.02 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2o3o h GLU 78 Cb 1.25 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.47 2o3o h GLU 78 CO 0.12 0.28 -0.29 0.82 -1.00 0.00 0.00 179.01 178.94 2o3o h ILE 79 N -0.41 0.35 0.00 3.13 2.04 -1.33 -2.42 117.51 118.87 2o3o h ILE 79 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 2o3o h ILE 79 Cb 0.37 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 2o3o h ILE 79 CO 0.01 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.32 2o3o n GLU 80 N -5.40 0.79 0.00 2.37 0.28 -1.02 -2.12 120.64 115.54 2o3o n GLU 80 Ca -0.05 0.00 0.14 0.00 -0.16 0.00 0.00 57.16 57.09 2o3o n GLU 80 Cb 0.31 -1.50 0.58 0.00 1.43 0.00 0.00 31.44 32.26 2o3o n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2o3o n ALA 81 N -1.08 2.73 -2.56 -1.84 0.00 -0.91 -4.67 120.51 112.17 2o3o n ALA 81 Ca 0.20 -0.22 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2o3o n ALA 81 Cb 0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 2o3o n ALA 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 82 N -2.71 3.36 0.31 0.00 1.43 -0.90 -4.99 118.68 115.18 2o3o s LEU 82 Ca 0.22 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 2o3o s LEU 82 Cb 0.19 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.75 2o3o s LEU 82 CO 0.52 -1.66 1.40 -0.75 0.23 0.00 0.00 176.35 176.09 2o3o s LYS 83 N 5.31 4.27 -1.40 1.70 2.20 -1.26 -2.94 119.74 127.62 2o3o s LYS 83 Ca 0.40 2.33 -0.06 0.00 -0.36 0.00 0.00 55.97 58.28 2o3o s LYS 83 Cb -0.04 -3.06 0.01 0.00 -1.51 0.00 0.00 37.83 33.22 2o3o s LYS 83 CO 0.02 -0.35 0.81 -0.25 -0.36 0.00 0.00 175.35 175.22 2o3o n ASP 84 N 1.33 -6.03 -3.83 1.43 8.00 -1.26 -5.00 116.55 111.19 2o3o n ASP 84 Ca 0.03 -0.37 -0.14 0.00 0.71 0.00 0.00 54.79 55.01 2o3o n ASP 84 Cb 0.41 -4.76 -0.15 0.00 -0.02 0.00 0.00 41.12 36.59 2o3o n ASP 84 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2o3o s GLN 85 N -5.90 0.07 -0.07 -1.24 -0.21 -1.15 -1.61 119.66 109.55 2o3o s GLN 85 Ca 0.40 0.07 0.05 0.00 0.02 0.00 0.00 55.36 55.91 2o3o s GLN 85 Cb -0.18 -0.21 -0.01 0.00 1.00 0.00 0.00 33.01 33.61 2o3o s GLN 85 CO 0.50 -0.08 -0.23 0.15 -2.12 0.00 0.00 175.29 173.51 2o3o s LYS 86 N 0.57 2.64 0.24 2.91 -0.14 0.13 -4.91 119.74 121.18 2o3o s LYS 86 Ca -0.05 -0.87 -0.30 0.00 -1.36 0.00 0.00 55.97 53.39 2o3o s LYS 86 Cb -0.07 -2.22 -0.09 0.00 -1.68 0.00 0.00 37.83 33.77 2o3o s LYS 86 CO -0.01 0.37 1.13 -1.25 -0.76 0.00 0.00 175.35 174.83 2o3o s PRO 87 N -0.13 4.59 -0.52 -1.68 0.04 -1.26 -0.82 135.00 135.21 2o3o s PRO 87 Ca -0.04 1.82 0.02 0.00 0.04 0.00 0.00 61.00 62.84 2o3o s PRO 87 Cb -0.14 -3.22 0.56 0.00 0.04 0.00 0.00 34.50 31.74 2o3o s PRO 87 CO 0.04 0.10 1.91 1.28 0.04 0.00 0.00 177.00 180.37 2o3o n LEU 88 N 1.73 6.90 0.00 -3.56 4.77 0.55 -4.90 117.00 122.49 2o3o n LEU 88 Ca 0.01 -3.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 2o3o n LEU 88 Cb 0.45 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.67 2o3o n LEU 88 CO 0.55 1.28 0.00 0.47 -1.33 0.00 0.00 177.39 178.36 2o3o n ASP 90 N -1.04 0.00 -4.83 -1.43 8.00 -1.26 -4.96 116.55 111.04 2o3o n ASP 90 Ca 0.59 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.72 2o3o n ASP 90 Cb 1.18 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.22 2o3o n ASP 90 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2o3o s PRO 92 N 1.40 3.72 0.41 -0.24 0.04 -1.26 -4.92 135.00 134.15 2o3o s PRO 92 Ca 0.00 -0.12 0.03 0.00 0.04 0.00 0.00 61.00 60.95 2o3o s PRO 92 Cb 0.00 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2o3o s PRO 92 CO 0.00 0.61 0.12 -1.13 0.04 0.00 0.00 177.00 176.64 2o3o n SER 93 N 2.50 1.57 -0.30 6.66 3.41 0.16 -4.92 113.62 122.71 2o3o n SER 93 Ca -0.18 -3.09 0.10 0.00 -0.26 0.00 0.00 58.87 55.44 2o3o n SER 93 Cb 0.54 0.88 0.27 0.00 -0.26 0.00 0.00 64.21 65.63 2o3o n SER 93 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2o3o h ASP 94 N 1.49 0.45 0.00 4.04 5.19 -2.07 -3.32 116.42 122.19 2o3o h ASP 94 Ca -0.32 0.12 -0.07 0.00 -0.62 0.00 0.00 57.03 56.14 2o3o h ASP 94 Cb 1.17 0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.73 2o3o h ASP 94 CO 0.51 0.12 -1.17 -0.67 -3.12 0.00 0.00 179.24 174.92 2o3o n ASP 95 N -4.95 1.93 -4.66 6.45 -0.08 -1.26 -4.93 116.55 109.05 2o3o n ASP 95 Ca 0.20 0.37 -0.43 0.00 -1.51 0.00 0.00 54.79 53.42 2o3o n ASP 95 Cb 0.54 -0.77 -0.02 0.00 2.34 0.00 0.00 41.12 43.21 2o3o n ASP 95 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2o3o s HIS 96 N -2.77 2.71 0.05 -0.67 2.46 -1.25 -5.03 115.29 110.79 2o3o s HIS 96 Ca -0.29 0.87 -0.00 0.00 0.47 0.00 0.00 55.06 56.11 2o3o s HIS 96 Cb 0.05 -3.58 -0.04 0.00 -0.13 0.00 0.00 32.58 28.89 2o3o s HIS 96 CO 0.42 -2.08 0.18 0.15 -2.47 0.00 0.00 174.74 170.94 2o3o s LYS 97 N 3.49 3.36 -0.29 2.88 1.02 -1.26 0.39 119.74 129.34 2o3o s LYS 97 Ca 0.58 -0.45 -0.06 0.00 0.02 0.00 0.00 55.97 56.07 2o3o s LYS 97 Cb -0.24 -3.01 0.01 0.00 -0.52 0.00 0.00 37.83 34.07 2o3o s LYS 97 CO 0.18 0.62 0.06 0.08 -0.92 0.00 0.00 175.35 175.37 2o3o s VAL 98 N -1.45 3.78 -0.84 3.17 1.01 -1.26 -4.93 120.40 119.89 2o3o s VAL 98 Ca 0.32 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2o3o s VAL 98 Cb -0.13 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.30 2o3o s VAL 98 CO 0.25 0.08 0.61 0.35 0.00 0.00 0.00 175.10 176.39 2o3o n THR 99 N 4.83 0.00 -3.78 3.92 -2.24 -1.26 -0.80 114.28 114.95 2o3o n THR 99 Ca -0.15 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 60.92 2o3o n THR 99 Cb 0.48 1.12 -0.16 0.00 -2.10 0.00 0.00 70.33 69.66 2o3o n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2o3o s SER 100 N -1.13 3.40 0.07 3.42 0.15 -1.26 -4.52 113.70 113.84 2o3o s SER 100 Ca 0.08 -1.11 -0.27 0.00 0.70 0.00 0.00 55.95 55.35 2o3o s SER 100 Cb 0.07 -0.79 -0.06 0.00 -1.71 0.00 0.00 66.02 63.53 2o3o s SER 100 CO 0.19 -0.32 0.85 -0.76 1.20 0.00 0.00 173.24 174.41 2o3o s LEU 101 N 1.69 4.47 0.04 3.45 1.43 0.70 -4.88 118.68 125.59 2o3o s LEU 101 Ca 0.01 1.60 0.08 0.00 -1.03 0.00 0.00 54.13 54.78 2o3o s LEU 101 Cb -0.18 -3.39 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2o3o s LEU 101 CO -0.12 -0.02 -0.21 -0.75 0.23 0.00 0.00 176.35 175.48 2o3o s LYS 102 N -0.03 1.44 -0.28 1.70 2.20 -1.26 0.00 119.74 123.51 2o3o s LYS 102 Ca 0.42 -0.97 -0.19 0.00 -0.36 0.00 0.00 55.97 54.87 2o3o s LYS 102 Cb -0.22 -1.57 0.09 0.00 -1.51 0.00 0.00 37.83 34.63 2o3o s LYS 102 CO 0.26 0.40 0.77 0.21 -0.36 0.00 0.00 175.35 176.64 2o3o s LYS 104 N -1.19 0.67 0.16 4.03 2.20 0.00 -0.33 119.74 125.28 2o3o s LYS 104 Ca 0.08 1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 56.41 2o3o s LYS 104 Cb -0.09 0.21 -0.07 0.00 -1.51 0.00 0.00 37.83 36.37 2o3o s LYS 104 CO 0.02 -0.12 0.95 -0.06 -0.36 0.00 0.00 175.35 175.78 2o3o s PHE 105 N 1.13 3.88 0.28 4.03 0.40 -0.94 -0.69 117.98 126.07 2o3o s PHE 105 Ca -0.06 1.84 -0.01 0.00 -0.60 0.00 0.00 56.93 58.10 2o3o s PHE 105 Cb -0.05 -3.02 0.64 0.00 0.51 0.00 0.00 43.02 41.10 2o3o s PHE 105 CO -0.12 0.30 1.46 0.00 0.70 0.00 0.00 175.22 177.56 2o3o n ALA 106 N 2.30 0.41 -3.07 5.36 0.00 -0.64 -4.29 120.51 120.59 2o3o n ALA 106 Ca 0.01 1.01 -0.14 0.00 0.00 0.00 0.00 53.44 54.31 2o3o n ALA 106 Cb 0.48 -0.70 -0.15 0.00 0.00 0.00 0.00 19.45 19.09 2o3o n ALA 106 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2o3o s ASN 107 N -5.07 0.21 0.39 0.00 0.01 -1.26 -5.12 114.94 104.11 2o3o s ASN 107 Ca -0.13 -0.02 -0.27 0.00 -0.71 0.00 0.00 52.86 51.73 2o3o s ASN 107 Cb 0.27 -0.06 -0.11 0.00 0.41 0.00 0.00 41.25 41.77 2o3o s ASN 107 CO 0.73 -0.01 1.42 -0.81 -1.51 0.00 0.00 177.10 176.91 2o3o n PRO 108 N 3.33 2.43 -3.44 -0.60 -0.04 -1.26 -4.96 135.00 130.45 2o3o n PRO 108 Ca -0.16 0.85 -0.42 0.00 -0.04 0.00 0.00 63.50 63.73 2o3o n PRO 108 Cb 0.57 -2.57 -0.10 0.00 -0.04 0.00 0.00 33.50 31.36 2o3o n PRO 108 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2o3o s ILE 109 N -1.14 5.21 0.45 0.52 1.01 -0.73 -4.78 121.20 121.75 2o3o s ILE 109 Ca 0.56 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.66 2o3o s ILE 109 Cb -0.49 -3.86 -0.09 0.00 0.01 0.00 0.00 42.46 38.04 2o3o s ILE 109 CO 0.62 -0.19 1.40 0.00 0.00 0.00 0.00 174.94 176.77 2o3o n ALA 110 N 5.28 1.88 -2.35 9.38 0.00 -1.26 -0.31 120.51 133.13 2o3o n ALA 110 Ca -0.10 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.28 2o3o n ALA 110 Cb 0.48 -2.37 -0.15 0.00 0.00 0.00 0.00 19.45 17.42 2o3o n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 111 N -2.50 2.18 0.45 0.00 1.43 -0.32 -4.86 118.68 115.07 2o3o s LEU 111 Ca 0.61 -0.57 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 2o3o s LEU 111 Cb -0.46 -1.30 -0.10 0.00 0.03 0.00 0.00 46.19 44.36 2o3o s LEU 111 CO 0.57 0.26 0.93 -0.24 0.23 0.00 0.00 176.35 178.11 2o3o n SER 112 N 1.81 0.86 0.34 2.29 2.88 -1.26 -4.83 113.62 115.70 2o3o n SER 112 Ca -0.17 0.98 -0.13 0.00 -1.33 0.00 0.00 58.87 58.21 2o3o n SER 112 Cb 0.52 -1.32 -0.06 0.00 -0.75 0.00 0.00 64.21 62.59 2o3o n SER 112 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2o3o h LYS 113 N 1.26 -0.84 0.00 -1.46 1.57 -1.94 -3.32 116.57 111.84 2o3o h LYS 113 Ca -0.45 0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.24 2o3o h LYS 113 Cb 1.35 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.83 2o3o h LYS 113 CO 0.55 -0.56 -1.09 0.87 -0.57 0.00 0.00 179.45 178.65 2o3o h LYS 114 N -1.00 0.00 -1.38 3.15 1.57 -2.04 -3.33 116.57 113.53 2o3o h LYS 114 Ca -0.09 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.05 2o3o h LYS 114 Cb 0.67 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.62 2o3o h LYS 114 CO 0.15 0.40 -0.01 -3.47 -0.57 0.00 0.00 179.45 175.95 2o3o n ASP 115 N -3.03 6.00 -0.05 0.86 -0.08 -1.26 -4.83 116.55 114.17 2o3o n ASP 115 Ca -0.05 -3.77 -0.15 0.00 -1.51 0.00 0.00 54.79 49.31 2o3o n ASP 115 Cb 0.81 -0.68 -0.04 0.00 2.34 0.00 0.00 41.12 43.56 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2o3o h ILE 116 N 2.07 1.28 -0.06 5.18 2.10 -1.67 -2.83 117.51 123.58 2o3o h ILE 116 Ca 0.44 -1.82 -0.12 0.00 1.08 0.00 0.00 64.86 64.44 2o3o h ILE 116 Cb 0.81 1.76 -0.01 0.00 -1.09 0.00 0.00 36.82 38.28 2o3o h ILE 116 CO 1.11 0.59 -0.50 -0.33 -1.08 0.00 0.00 178.15 177.93 2o3o h GLU 117 N 0.60 0.15 0.08 2.19 5.08 -1.91 0.08 114.58 120.85 2o3o h GLU 117 Ca -0.01 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2o3o h GLU 117 Cb 1.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2o3o h GLU 117 CO 0.13 0.62 -0.04 -0.44 -1.00 0.00 0.00 179.01 178.28 2o3o h ASP 118 N 0.12 -0.09 -0.43 1.42 3.32 -1.95 -2.88 116.42 115.92 2o3o h ASP 118 Ca 0.00 -0.38 -0.02 0.00 0.02 0.00 0.00 57.03 56.66 2o3o h ASP 118 Cb 0.94 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 2o3o h ASP 118 CO 0.07 0.35 0.21 0.44 -1.72 0.00 0.00 179.24 178.59 2o3o h ASP 119 N -0.55 0.59 -0.35 6.45 5.19 -1.23 -0.22 116.42 126.31 2o3o h ASP 119 Ca -0.01 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2o3o h ASP 119 Cb 0.46 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2o3o h ASP 119 CO 0.02 0.52 0.16 0.00 -3.12 0.00 0.00 179.24 176.82 2o3o h ALA 120 N 1.57 0.45 -0.30 3.45 0.00 -1.05 -1.53 119.26 121.85 2o3o h ALA 120 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2o3o h ALA 120 Cb 0.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2o3o h ALA 120 CO -0.02 0.03 0.17 1.96 0.00 0.00 0.00 179.25 181.39 2o3o h GLN 121 N 0.42 0.35 -0.93 0.00 1.08 -1.09 -1.75 115.11 113.19 2o3o h GLN 121 Ca 0.12 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.34 2o3o h GLN 121 Cb 0.14 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.44 2o3o h GLN 121 CO -0.01 0.23 0.60 0.00 -0.95 0.00 0.00 178.83 178.69 2o3o h ALA 122 N 1.14 1.25 0.53 3.87 0.00 -0.94 0.17 119.26 125.27 2o3o h ALA 122 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2o3o h ALA 122 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.49 2o3o h ALA 122 CO -0.06 0.43 -0.26 1.25 0.00 0.00 0.00 179.25 180.61 2o3o h LEU 123 N 1.13 -0.60 -0.50 0.00 5.85 -1.03 -2.22 115.31 117.93 2o3o h LEU 123 Ca 0.38 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.14 2o3o h LEU 123 Cb 0.06 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2o3o h LEU 123 CO -0.14 -0.34 0.18 0.58 -0.34 0.00 0.00 178.44 178.38 2o3o h VAL 124 N -0.84 0.83 -0.76 1.05 2.07 -0.82 0.11 116.25 117.89 2o3o h VAL 124 Ca -0.07 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.34 2o3o h VAL 124 Cb 0.60 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 2o3o h VAL 124 CO 0.12 0.06 0.49 0.28 0.02 0.00 0.00 177.57 178.55 2o3o h SER 125 N 0.36 0.84 0.37 0.57 0.02 -0.67 -1.69 113.55 113.35 2o3o h SER 125 Ca 0.24 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2o3o h SER 125 Cb 0.26 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2o3o h SER 125 CO -0.25 0.60 -1.51 -1.54 -1.14 0.00 0.00 176.83 173.00 2o3o n SER 126 N -4.58 0.39 -0.00 3.07 3.41 -0.84 -4.48 113.62 110.59 2o3o n SER 126 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2o3o n SER 126 Cb 0.04 1.31 -0.01 0.00 -0.26 0.00 0.00 64.21 65.29 2o3o n SER 126 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2o3o n LYS 127 N -2.31 1.45 -3.75 4.33 5.02 0.34 -5.04 118.16 118.21 2o3o n LYS 127 Ca -0.02 -0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 2o3o n LYS 127 Cb 0.53 -1.02 -0.05 0.00 -0.02 0.00 0.00 35.03 34.48 2o3o n LYS 127 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2o3o s ILE 128 N -2.04 5.27 0.28 -0.18 1.01 -0.64 -5.00 121.20 119.90 2o3o s ILE 128 Ca -0.00 0.11 -0.30 0.00 0.00 0.00 0.00 60.65 60.45 2o3o s ILE 128 Cb 0.00 -3.59 -0.12 0.00 0.01 0.00 0.00 42.46 38.77 2o3o s ILE 128 CO 0.03 0.28 1.61 1.67 0.00 0.00 0.00 174.94 178.52 2o3o n GLN 129 N 0.83 2.68 -1.98 2.79 7.27 -1.26 -1.95 117.38 125.77 2o3o n GLN 129 Ca -0.09 0.96 -0.16 0.00 0.07 0.00 0.00 57.00 57.77 2o3o n GLN 129 Cb 0.52 -2.74 -0.04 0.00 2.41 0.00 0.00 30.24 30.39 2o3o n GLN 129 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 2o3o n ASP 130 N 2.38 -4.63 -0.10 1.69 10.43 -1.26 -4.84 116.55 120.21 2o3o n ASP 130 Ca 0.10 0.24 0.10 0.00 2.57 0.00 0.00 54.79 57.80 2o3o n ASP 130 Cb 0.36 -4.03 0.46 0.00 1.84 0.00 0.00 41.12 39.75 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2o3o h GLY 131 N 0.00 0.67 0.51 0.44 0.00 -1.55 -0.81 103.07 102.33 2o3o h GLY 131 Ca -0.37 -0.20 0.21 0.00 0.00 0.00 0.00 47.33 46.97 2o3o h GLY 131 CO 0.48 0.13 0.54 1.05 0.00 0.00 0.00 176.54 178.74 2o3o h GLU 132 N 0.50 0.03 -0.12 4.80 9.09 -1.82 -1.84 114.58 125.23 2o3o h GLU 132 Ca 0.28 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 2o3o h GLU 132 Cb 0.44 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.53 2o3o h GLU 132 CO -0.08 0.02 0.00 1.63 0.05 0.00 0.00 179.01 180.63 2o3o n LYS 133 N -4.33 1.40 -4.76 1.06 5.02 -0.31 -4.87 118.16 111.38 2o3o n LYS 133 Ca 0.15 -0.61 -0.31 0.00 -2.02 0.00 0.00 58.31 55.51 2o3o n LYS 133 Cb 0.80 -1.29 -0.13 0.00 -0.02 0.00 0.00 35.03 34.38 2o3o n LYS 133 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2o3o s TYR 134 N -1.85 2.57 0.08 2.13 1.51 -0.69 -1.63 117.35 119.47 2o3o s TYR 134 Ca 0.26 -0.25 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 2o3o s TYR 134 Cb 0.13 -1.50 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 2o3o s TYR 134 CO 0.20 0.22 -0.21 0.21 -1.11 0.00 0.00 175.55 174.85 2o3o s LYS 135 N -1.22 1.26 0.04 -0.62 2.20 -0.41 -4.95 119.74 116.03 2o3o s LYS 135 Ca 0.14 -1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 54.35 2o3o s LYS 135 Cb -0.10 -1.48 -0.05 0.00 -1.51 0.00 0.00 37.83 34.68 2o3o s LYS 135 CO 0.04 0.36 1.15 -1.17 -0.36 0.00 0.00 175.35 175.37 2o3o s LEU 136 N -1.62 4.36 -0.23 5.43 2.96 -1.26 -0.47 118.68 127.84 2o3o s LEU 136 Ca 0.07 1.92 -0.12 0.00 -0.22 0.00 0.00 54.13 55.78 2o3o s LEU 136 Cb -0.10 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.92 2o3o s LEU 136 CO 0.03 -0.44 -0.31 1.87 -1.32 0.00 0.00 176.35 176.19 2o3o n TRP 137 N 4.03 0.00 -3.69 5.38 -0.00 0.71 -4.87 117.44 119.00 2o3o n TRP 137 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 57.50 57.47 2o3o n TRP 137 Cb 0.47 -0.82 -0.10 0.00 -0.00 0.00 0.00 31.31 30.86 2o3o n TRP 137 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2o3o s LYS 138 N -2.48 0.51 -0.51 5.87 2.20 -0.95 -5.01 119.74 119.37 2o3o s LYS 138 Ca -0.33 0.80 -0.16 0.00 -0.36 0.00 0.00 55.97 55.93 2o3o s LYS 138 Cb 0.12 0.12 0.10 0.00 -1.51 0.00 0.00 37.83 36.66 2o3o s LYS 138 CO 0.42 -0.12 0.46 0.08 -0.36 0.00 0.00 175.35 175.83 2o3o s VAL 139 N 0.97 5.20 -0.59 4.02 1.01 -1.26 -0.64 120.40 129.11 2o3o s VAL 139 Ca -0.06 -1.27 -0.19 0.00 0.00 0.00 0.00 61.98 60.46 2o3o s VAL 139 Cb -0.06 -4.25 0.11 0.00 0.00 0.00 0.00 36.38 32.18 2o3o s VAL 139 CO -0.08 -0.75 0.69 -0.62 0.00 0.00 0.00 175.10 174.34 2o3o s ASP 140 N 3.14 6.19 0.19 3.32 -1.08 -0.27 -4.92 116.67 123.23 2o3o s ASP 140 Ca 0.04 -1.47 -0.08 0.00 -0.52 0.00 0.00 52.55 50.52 2o3o s ASP 140 Cb -0.27 -2.29 0.09 0.00 -1.46 0.00 0.00 42.92 38.98 2o3o s ASP 140 CO 0.05 -1.10 1.60 0.11 0.52 0.00 0.00 175.17 176.35 2o3o h LYS 141 N 9.16 0.93 -0.13 4.34 1.57 -1.96 -0.59 116.57 129.89 2o3o h LYS 141 Ca -0.29 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.14 2o3o h LYS 141 Cb 1.09 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 2o3o h LYS 141 CO 1.10 1.03 -0.01 0.66 -0.57 0.00 0.00 179.45 181.66 2o3o h SER 142 N 0.82 -0.07 0.07 0.86 4.64 -1.95 -2.28 113.55 115.64 2o3o h SER 142 Ca 0.12 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2o3o h SER 142 Cb 0.72 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 2o3o h SER 142 CO 0.06 -0.01 -0.02 0.29 -0.87 0.00 0.00 176.83 176.27 2o3o n LYS 143 N -5.13 1.17 -3.68 4.77 5.02 -1.19 -4.96 118.16 114.17 2o3o n LYS 143 Ca -0.04 -0.41 -0.22 0.00 -2.02 0.00 0.00 58.31 55.62 2o3o n LYS 143 Cb 0.08 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 2o3o n LYS 143 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2o3o n LYS 144 N -0.56 -4.17 -3.97 1.97 5.02 -0.32 -4.92 118.16 111.21 2o3o n LYS 144 Ca 0.20 0.61 -0.09 0.00 -2.02 0.00 0.00 58.31 57.01 2o3o n LYS 144 Cb 0.24 -5.05 -0.08 0.00 -0.02 0.00 0.00 35.03 30.11 2o3o n LYS 144 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2o3o s GLU 145 N -5.89 0.93 -0.05 1.97 -1.05 -0.66 -1.74 118.70 112.21 2o3o s GLU 145 Ca 0.09 -1.15 0.06 0.00 -0.15 0.00 0.00 54.97 53.82 2o3o s GLU 145 Cb -0.03 0.32 -0.01 0.00 -0.44 0.00 0.00 34.13 33.97 2o3o s GLU 145 CO 0.82 -0.30 -0.22 0.42 0.95 0.00 0.00 175.26 176.93 2o3o s ILE 146 N -3.94 1.78 -0.17 1.83 1.01 -0.79 -1.12 121.20 119.80 2o3o s ILE 146 Ca 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.87 2o3o s ILE 146 Cb 0.05 -1.51 0.02 0.00 0.01 0.00 0.00 42.46 41.03 2o3o s ILE 146 CO -0.05 0.50 -0.19 -0.63 0.00 0.00 0.00 174.94 174.57 2o3o s ILE 147 N -0.13 2.14 -0.09 2.92 1.01 0.18 -1.01 121.20 126.22 2o3o s ILE 147 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.72 2o3o s ILE 147 Cb -0.12 -1.89 -0.02 0.00 0.01 0.00 0.00 42.46 40.43 2o3o s ILE 147 CO 0.03 0.54 -0.13 -0.36 0.00 0.00 0.00 174.94 175.01 2o3o s PHE 148 N 1.20 2.78 -0.15 3.97 0.40 0.92 -0.21 117.98 126.89 2o3o s PHE 148 Ca 0.03 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 55.87 2o3o s PHE 148 Cb -0.14 -1.75 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 2o3o s PHE 148 CO -0.10 -0.01 0.14 -0.06 0.70 0.00 0.00 175.22 175.88 2o3o s PHE 149 N -0.15 3.53 0.66 0.36 0.08 0.38 -1.32 117.98 121.51 2o3o s PHE 149 Ca -0.00 0.46 -0.18 0.00 0.12 0.00 0.00 56.93 57.33 2o3o s PHE 149 Cb -0.13 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.28 2o3o s PHE 149 CO 0.03 0.57 1.28 -1.14 -0.10 0.00 0.00 175.22 175.86 2o3o s GLN 150 N -0.50 2.48 0.39 0.44 0.74 0.14 -1.28 119.66 122.07 2o3o s GLN 150 Ca 0.12 2.01 0.08 0.00 0.05 0.00 0.00 55.36 57.62 2o3o s GLN 150 Cb -0.12 -1.84 -0.06 0.00 1.10 0.00 0.00 33.01 32.09 2o3o s GLN 150 CO 0.02 -1.64 0.07 0.95 -0.55 0.00 0.00 175.29 174.15 2o3o s THR 151 N -1.50 2.33 -0.07 -0.34 -4.23 -0.65 -1.77 115.64 109.41 2o3o s THR 151 Ca 0.81 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 2o3o s THR 151 Cb -0.36 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.58 2o3o s THR 151 CO 0.40 -0.07 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.90 2o3o s TYR 152 N -2.60 0.91 -1.64 3.99 5.04 -0.05 -4.82 117.35 118.18 2o3o s TYR 152 Ca 0.37 -0.32 -0.13 0.00 -2.44 0.00 0.00 57.07 54.55 2o3o s TYR 152 Cb 0.04 -0.85 0.12 0.00 0.35 0.00 0.00 41.96 41.62 2o3o s TYR 152 CO 0.20 -0.30 0.63 0.39 -1.34 0.00 0.00 175.55 175.13 2o3o n GLU 153 N 4.56 -2.86 0.00 4.97 1.02 -1.26 -1.22 120.64 125.85 2o3o n GLU 153 Ca -0.16 0.34 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 2o3o n GLU 153 Cb 0.50 -4.83 0.00 0.00 -0.02 0.00 0.00 31.44 27.10 2o3o n GLU 153 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2o3o n GLY 154 N -1.60 2.13 3.78 0.62 0.00 -1.26 -5.01 105.19 103.85 2o3o n GLY 154 Ca -0.04 -0.32 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 2o3o n GLY 154 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2o3o s HIS 155 N -0.65 2.98 0.25 1.61 3.76 -0.36 -4.86 115.29 118.03 2o3o s HIS 155 Ca 0.00 1.58 -0.30 0.00 -0.15 0.00 0.00 55.06 56.19 2o3o s HIS 155 Cb 0.00 -3.18 -0.11 0.00 1.11 0.00 0.00 32.58 30.41 2o3o s HIS 155 CO 0.00 -1.03 1.53 0.71 -0.85 0.00 0.00 174.74 175.10 2o3o s TYR 156 N -1.78 2.92 -0.90 1.40 1.51 -1.26 -0.87 117.35 118.36 2o3o s TYR 156 Ca 0.65 0.84 -0.19 0.00 -1.01 0.00 0.00 57.07 57.36 2o3o s TYR 156 Cb -0.21 -3.94 0.13 0.00 -0.11 0.00 0.00 41.96 37.82 2o3o s TYR 156 CO 0.26 -3.21 1.10 0.42 -1.11 0.00 0.00 175.55 173.01 2o3o s ILE 157 N 0.23 4.73 0.33 2.71 1.01 -0.73 -0.49 121.20 128.99 2o3o s ILE 157 Ca 0.63 -1.51 -0.29 0.00 0.00 0.00 0.00 60.65 59.48 2o3o s ILE 157 Cb -0.45 -4.76 -0.11 0.00 0.01 0.00 0.00 42.46 37.16 2o3o s ILE 157 CO 0.43 -1.49 1.43 -0.31 0.00 0.00 0.00 174.94 175.00 2o3o s TYR 158 N 2.71 2.84 0.22 3.97 1.51 0.14 -4.65 117.35 124.09 2o3o s TYR 158 Ca 0.31 1.18 -0.16 0.00 -1.01 0.00 0.00 57.07 57.38 2o3o s TYR 158 Cb -0.06 -3.88 0.02 0.00 -0.11 0.00 0.00 41.96 37.93 2o3o s TYR 158 CO -0.08 -2.63 0.54 1.14 -1.11 0.00 0.00 175.55 173.41 2o3o s GLN 159 N -1.46 1.50 0.09 -0.62 -2.07 -1.26 -4.42 119.66 111.42 2o3o s GLN 159 Ca 0.54 -1.01 -0.30 0.00 -1.82 0.00 0.00 55.36 52.77 2o3o s GLN 159 Cb -0.43 0.52 -0.06 0.00 -1.09 0.00 0.00 33.01 31.95 2o3o s GLN 159 CO 0.54 -0.64 1.05 0.15 -1.32 0.00 0.00 175.29 175.07 2o3o s LYS 160 N -3.93 4.58 -0.18 9.60 1.02 -1.26 -4.94 119.74 124.63 2o3o s LYS 160 Ca 0.14 1.58 0.14 0.00 0.02 0.00 0.00 55.97 57.85 2o3o s LYS 160 Cb -0.02 -3.36 0.74 0.00 -0.52 0.00 0.00 37.83 34.67 2o3o s LYS 160 CO 0.02 0.02 1.64 0.25 -0.92 0.00 0.00 175.35 176.36 2o3o n THR 161 N 3.16 2.30 0.12 2.17 -2.24 -1.26 -4.46 114.28 114.06 2o3o n THR 161 Ca 0.05 -1.24 -0.05 0.00 -2.27 0.00 0.00 64.05 60.54 2o3o n THR 161 Cb 0.48 -0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.52 2o3o n THR 161 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2o3o h ASP 162 N 3.77 -0.27 -5.03 3.42 3.32 -1.96 -3.49 116.42 116.18 2o3o h ASP 162 Ca 0.00 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.90 2o3o h ASP 162 Cb 1.73 0.07 -0.17 0.00 0.22 0.00 0.00 39.33 41.18 2o3o h ASP 162 CO 0.39 -0.13 -0.69 0.54 -1.72 0.00 0.00 179.24 177.63 2o3o s ASN 163 N -3.20 0.59 0.00 6.45 6.03 -1.26 -5.04 114.94 118.50 2o3o s ASN 163 Ca -0.05 -0.86 0.08 0.00 -1.03 0.00 0.00 52.86 51.00 2o3o s ASN 163 Cb 0.00 0.15 0.39 0.00 -3.03 0.00 0.00 41.25 38.76 2o3o s ASN 163 CO 0.14 -0.48 1.12 -2.65 -2.03 0.00 0.00 177.10 173.20 2o3o n PRO 164 N 0.52 0.10 0.25 3.55 -0.02 -1.26 -2.94 135.00 135.20 2o3o n PRO 164 Ca -0.17 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.43 2o3o n PRO 164 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 2o3o n PRO 164 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2o3o h SER 165 N 0.00 -0.58 -2.16 2.55 0.02 -1.96 -3.45 113.55 107.98 2o3o h SER 165 Ca 0.00 0.02 -0.59 0.00 -0.84 0.00 0.00 61.79 60.38 2o3o h SER 165 Cb 0.08 0.15 -0.11 0.00 0.14 0.00 0.00 62.40 62.65 2o3o h SER 165 CO 0.00 -0.25 1.00 0.20 -1.14 0.00 0.00 176.83 176.64 2o3o s ASN 166 N -4.22 6.29 0.00 3.07 -0.87 -1.15 -5.07 114.94 112.99 2o3o s ASN 166 Ca -0.10 -1.00 0.00 0.00 -1.57 0.00 0.00 52.86 50.19 2o3o s ASN 166 Cb 0.01 -2.51 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 2o3o s ASN 166 CO 0.30 -1.57 0.00 2.30 -2.57 0.00 0.00 177.10 175.55 2o3o n ILE 168 N 6.27 0.00 -2.72 0.60 -5.35 -1.26 -4.16 119.36 112.74 2o3o n ILE 168 Ca 0.10 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.52 2o3o n ILE 168 Cb 0.49 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 38.44 2o3o n ILE 168 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2o3o n GLY 169 N 0.00 -0.56 3.09 3.28 0.00 -1.26 -3.77 105.19 105.96 2o3o n GLY 169 Ca 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 46.02 46.36 2o3o n GLY 169 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2o3o s GLN 170 N 0.55 0.60 -0.07 1.61 -0.21 -1.19 0.26 119.66 121.21 2o3o s GLN 170 Ca 0.30 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.68 2o3o s GLN 170 Cb 0.21 -0.08 -0.03 0.00 1.00 0.00 0.00 33.01 34.10 2o3o s GLN 170 CO -0.19 -0.02 -0.07 0.08 -2.12 0.00 0.00 175.29 172.97 2o3o s VAL 171 N -2.63 3.66 -0.18 1.09 1.01 -0.44 -1.60 120.40 121.31 2o3o s VAL 171 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 2o3o s VAL 171 Cb -0.01 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.92 2o3o s VAL 171 CO -0.04 0.59 0.01 -0.69 0.00 0.00 0.00 175.10 174.97 2o3o s VAL 172 N -0.74 0.71 0.25 2.92 1.01 -0.29 -0.05 120.40 124.21 2o3o s VAL 172 Ca 0.11 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 2o3o s VAL 172 Cb -0.11 -1.09 -0.09 0.00 0.00 0.00 0.00 36.38 35.09 2o3o s VAL 172 CO 0.01 -0.08 0.80 -0.76 0.00 0.00 0.00 175.10 175.07 2o3o s LEU 173 N 1.78 4.36 -0.12 3.92 1.43 -0.18 -0.88 118.68 128.99 2o3o s LEU 173 Ca -0.00 1.57 -0.00 0.00 -1.03 0.00 0.00 54.13 54.66 2o3o s LEU 173 Cb -0.16 -3.70 -0.02 0.00 0.03 0.00 0.00 46.19 42.34 2o3o s LEU 173 CO -0.07 0.02 -0.12 -1.00 0.23 0.00 0.00 176.35 175.40 2o3o s HIS 174 N -1.52 2.82 0.08 0.29 3.76 0.10 -1.89 115.29 118.93 2o3o s HIS 174 Ca 0.45 -0.53 0.09 0.00 -0.15 0.00 0.00 55.06 54.91 2o3o s HIS 174 Cb -0.18 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 2o3o s HIS 174 CO 0.22 -0.13 -0.24 -0.51 -0.85 0.00 0.00 174.74 173.23 2o3o s LEU 175 N 0.20 2.37 0.01 0.89 1.43 -0.71 -0.56 118.68 122.31 2o3o s LEU 175 Ca -0.07 -0.60 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 2o3o s LEU 175 Cb -0.15 -1.35 -0.01 0.00 0.03 0.00 0.00 46.19 44.71 2o3o s LEU 175 CO 0.05 0.22 -0.10 0.21 0.23 0.00 0.00 176.35 176.97 2o3o s ASN 176 N -1.65 1.11 0.00 2.29 2.47 -1.16 -4.83 114.94 113.16 2o3o s ASN 176 Ca 0.14 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.14 2o3o s ASN 176 Cb -0.10 -0.09 0.00 0.00 -1.45 0.00 0.00 41.25 39.61 2o3o s ASN 176 CO 0.05 0.04 0.00 0.61 -3.72 0.00 0.00 177.10 174.08 2o3o n GLY 177 N 2.44 1.56 1.86 1.21 0.00 -1.26 -3.57 105.19 107.44 2o3o n GLY 177 Ca -0.16 -0.37 -0.19 0.00 0.00 0.00 0.00 46.02 45.31 2o3o n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o3o n LYS 178 N 0.00 2.26 -3.48 1.61 5.02 -1.26 -4.92 118.16 117.39 2o3o n LYS 178 Ca 0.00 -3.20 -0.17 0.00 -2.02 0.00 0.00 58.31 52.92 2o3o n LYS 178 Cb 0.00 -2.08 0.01 0.00 -0.02 0.00 0.00 35.03 32.95 2o3o n LYS 178 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2o3o n ASN 179 N -1.08 -6.11 -4.03 4.39 3.02 -1.25 -4.64 115.26 105.56 2o3o n ASN 179 Ca 0.50 -0.64 -0.24 0.00 -0.03 0.00 0.00 54.58 54.17 2o3o n ASN 179 Cb 1.24 -3.50 -0.16 0.00 -0.61 0.00 0.00 39.78 36.74 2o3o n ASN 179 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2o3o s GLU 180 N -4.47 1.61 -0.34 3.52 2.02 -1.23 -1.17 118.70 118.64 2o3o s GLU 180 Ca 0.12 -0.41 -0.29 0.00 0.02 0.00 0.00 54.97 54.41 2o3o s GLU 180 Cb -0.04 -1.36 0.01 0.00 0.10 0.00 0.00 34.13 32.84 2o3o s GLU 180 CO 0.83 0.06 1.33 0.08 0.02 0.00 0.00 175.26 177.57 2o3o s VAL 181 N 0.56 4.07 -0.03 2.63 1.01 0.58 -2.98 120.40 126.24 2o3o s VAL 181 Ca -0.12 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.90 2o3o s VAL 181 Cb -0.15 -4.19 -0.32 0.00 0.00 0.00 0.00 36.38 31.72 2o3o s VAL 181 CO 0.03 -0.59 0.76 0.58 0.00 0.00 0.00 175.10 175.89 2o3o h VAL 182 N 6.12 1.07 -3.18 2.92 2.07 -1.16 -1.94 116.25 122.15 2o3o h VAL 182 Ca -0.26 -2.55 0.03 0.00 0.82 0.00 0.00 66.70 64.73 2o3o h VAL 182 Cb 1.10 2.86 -0.07 0.00 -1.52 0.00 0.00 31.29 33.67 2o3o h VAL 182 CO 1.05 0.82 0.13 -0.94 0.02 0.00 0.00 177.57 178.65 2o3o s SER 183 N -7.34 -0.23 0.09 0.57 1.04 -1.18 -2.22 113.70 104.43 2o3o s SER 183 Ca -0.14 -0.66 -0.01 0.00 0.48 0.00 0.00 55.95 55.62 2o3o s SER 183 Cb 0.05 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.80 2o3o s SER 183 CO 0.87 -1.26 0.01 -0.72 0.98 0.00 0.00 173.24 173.12 2o3o s TYR 184 N -3.93 0.69 -0.00 5.02 -0.85 -1.26 0.01 117.35 117.02 2o3o s TYR 184 Ca 0.13 -1.14 0.07 0.00 -0.52 0.00 0.00 57.07 55.62 2o3o s TYR 184 Cb -0.04 -0.44 -0.02 0.00 0.38 0.00 0.00 41.96 41.84 2o3o s TYR 184 CO 0.06 -0.43 -0.23 -0.51 -1.52 0.00 0.00 175.55 172.92 2o3o s ASP 185 N -2.98 2.75 -0.05 -0.18 1.01 -0.06 -4.33 116.67 112.83 2o3o s ASP 185 Ca 0.15 -0.45 -0.03 0.00 0.71 0.00 0.00 52.55 52.92 2o3o s ASP 185 Cb 0.08 -0.29 0.03 0.00 1.01 0.00 0.00 42.92 43.74 2o3o s ASP 185 CO -0.05 0.27 0.12 -1.58 0.21 0.00 0.00 175.17 174.14 2o3o s GLN 186 N -0.71 0.09 0.07 8.23 0.74 0.10 -1.14 119.66 127.05 2o3o s GLN 186 Ca 0.09 0.26 0.05 0.00 0.05 0.00 0.00 55.36 55.80 2o3o s GLN 186 Cb -0.09 -0.08 -0.03 0.00 1.10 0.00 0.00 33.01 33.91 2o3o s GLN 186 CO -0.00 -0.10 -0.13 0.95 -0.55 0.00 0.00 175.29 175.46 2o3o s THR 187 N 0.67 1.04 -0.16 -0.34 -4.23 -0.63 -0.21 115.64 111.77 2o3o s THR 187 Ca -0.05 -1.34 -0.12 0.00 -1.18 0.00 0.00 61.69 59.00 2o3o s THR 187 Cb -0.07 -1.08 0.05 0.00 1.34 0.00 0.00 72.50 72.75 2o3o s THR 187 CO -0.03 -0.29 0.42 -0.89 -0.54 0.00 0.00 174.62 173.29 2o3o s THR 188 N -1.45 -0.01 0.12 3.99 2.01 -1.25 -3.17 115.64 115.87 2o3o s THR 188 Ca -0.02 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 61.93 2o3o s THR 188 Cb -0.09 -0.60 -0.06 0.00 0.01 0.00 0.00 72.50 71.76 2o3o s THR 188 CO 0.02 0.02 0.44 -0.76 -0.69 0.00 0.00 174.62 173.65 2o3o s LEU 189 N 0.85 4.32 0.16 4.42 1.43 -1.26 0.18 118.68 128.77 2o3o s LEU 189 Ca -0.05 0.83 -0.10 0.00 -1.03 0.00 0.00 54.13 53.78 2o3o s LEU 189 Cb -0.06 -3.15 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 2o3o s LEU 189 CO -0.07 0.12 0.30 -1.83 0.23 0.00 0.00 176.35 175.10 2o3o s GLU 190 N -2.11 1.15 -0.74 1.70 -1.05 0.10 -4.87 118.70 112.88 2o3o s GLU 190 Ca 0.36 -1.12 -0.01 0.00 -0.15 0.00 0.00 54.97 54.06 2o3o s GLU 190 Cb -0.14 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.94 2o3o s GLU 190 CO 0.19 -0.42 0.70 2.41 0.95 0.00 0.00 175.26 179.09 2o3o n THR 191 N -0.21 -9.77 -2.78 1.83 -1.04 -1.26 0.54 114.28 101.59 2o3o n THR 191 Ca -0.08 -0.34 -0.43 0.00 -2.04 0.00 0.00 64.05 61.16 2o3o n THR 191 Cb 0.63 -6.78 -0.03 0.00 -1.82 0.00 0.00 70.33 62.33 2o3o n THR 191 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2o3o s PHE 192 N -3.04 2.76 -0.21 -1.42 0.40 -1.26 -4.03 117.98 111.18 2o3o s PHE 192 Ca 0.04 -0.85 -0.28 0.00 -0.60 0.00 0.00 56.93 55.23 2o3o s PHE 192 Cb -0.01 -4.42 0.00 0.00 0.51 0.00 0.00 43.02 39.11 2o3o s PHE 192 CO 0.72 -1.70 1.00 0.15 0.70 0.00 0.00 175.22 176.09 2o3o s LYS 193 N 3.96 4.28 -0.66 0.44 1.02 0.34 -4.90 119.74 124.21 2o3o s LYS 193 Ca 0.32 1.30 -0.23 0.00 0.02 0.00 0.00 55.97 57.38 2o3o s LYS 193 Cb -0.08 -3.62 0.06 0.00 -0.52 0.00 0.00 37.83 33.67 2o3o s LYS 193 CO -0.01 -0.55 1.00 -0.65 -0.92 0.00 0.00 175.35 174.23 2o3o s GLN 194 N 2.90 3.13 -0.16 1.68 -0.21 -1.26 -0.55 119.66 125.20 2o3o s GLN 194 Ca 0.43 -0.72 -0.17 0.00 0.02 0.00 0.00 55.36 54.92 2o3o s GLN 194 Cb -0.16 -4.21 -0.14 0.00 1.00 0.00 0.00 33.01 29.50 2o3o s GLN 194 CO 0.08 -1.84 0.25 -0.84 -2.12 0.00 0.00 175.29 170.82 2o3o h ILE 195 N 5.98 0.80 -4.48 1.08 3.07 -1.48 -3.47 117.51 119.02 2o3o h ILE 195 Ca -0.29 -1.77 -0.70 0.00 1.55 0.00 0.00 64.86 63.66 2o3o h ILE 195 Cb 1.07 1.68 -0.28 0.00 -0.27 0.00 0.00 36.82 39.02 2o3o h ILE 195 CO 1.19 0.27 -0.88 -1.58 -1.05 0.00 0.00 178.15 176.10 2o3o s GLN 196 N -2.15 2.05 -0.18 0.16 0.74 -1.22 -4.99 119.66 114.07 2o3o s GLN 196 Ca -0.18 -0.97 -0.06 0.00 0.05 0.00 0.00 55.36 54.20 2o3o s GLN 196 Cb 0.02 -2.05 -0.04 0.00 1.10 0.00 0.00 33.01 32.04 2o3o s GLN 196 CO 0.43 0.55 0.03 0.21 -0.55 0.00 0.00 175.29 175.97 2o3o s LYS 197 N -0.81 3.86 0.05 1.67 2.36 -1.26 -1.09 119.74 124.51 2o3o s LYS 197 Ca 0.11 -0.41 -0.01 0.00 -2.55 0.00 0.00 55.97 53.10 2o3o s LYS 197 Cb -0.10 -3.13 -0.03 0.00 -1.05 0.00 0.00 37.83 33.52 2o3o s LYS 197 CO 0.00 0.23 -0.01 -1.21 1.55 0.00 0.00 175.35 175.90 2o3o s GLU 198 N 0.47 0.59 0.13 4.03 2.02 0.19 -4.98 118.70 121.15 2o3o s GLU 198 Ca 0.01 -1.11 -0.28 0.00 0.02 0.00 0.00 54.97 53.61 2o3o s GLU 198 Cb -0.13 0.21 -0.07 0.00 0.10 0.00 0.00 34.13 34.24 2o3o s GLU 198 CO 0.01 -0.11 0.88 0.45 0.02 0.00 0.00 175.26 176.51 2o3o s SER 199 N -2.70 7.45 0.11 -0.19 0.15 -1.26 0.36 113.70 117.61 2o3o s SER 199 Ca 0.04 1.72 -0.05 0.00 0.70 0.00 0.00 55.95 58.36 2o3o s SER 199 Cb 0.05 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 61.76 2o3o s SER 199 CO -0.09 0.05 0.34 -0.76 1.20 0.00 0.00 173.24 173.99 2o3o s LEU 200 N -0.48 4.30 0.59 3.45 1.43 -0.30 -3.94 118.68 123.73 2o3o s LEU 200 Ca 0.42 0.57 -0.17 0.00 -1.03 0.00 0.00 54.13 53.91 2o3o s LEU 200 Cb -0.23 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 42.81 2o3o s LEU 200 CO 0.28 0.11 1.10 0.27 0.23 0.00 0.00 176.35 178.34 2o3o s ILE 201 N -1.56 3.33 0.84 -0.59 -4.36 0.23 -4.29 121.20 114.81 2o3o s ILE 201 Ca 0.37 0.72 -0.13 0.00 -0.26 0.00 0.00 60.65 61.35 2o3o s ILE 201 Cb -0.13 -3.24 0.10 0.00 1.25 0.00 0.00 42.46 40.45 2o3o s ILE 201 CO 0.23 -0.29 1.21 0.42 0.24 0.00 0.00 174.94 176.75 2o3o s THR 202 N -2.10 2.00 -0.94 8.37 -4.23 -1.26 -4.84 115.64 112.64 2o3o s THR 202 Ca 0.69 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2o3o s THR 202 Cb -0.21 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.64 2o3o s THR 202 CO 0.33 0.00 0.00 -0.62 -0.54 0.00 0.00 174.62 173.79 2o3o n GLU 203 N -3.42 0.00 0.00 3.99 1.02 -1.21 -2.14 120.64 118.88 2o3o n GLU 203 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2o3o n GLU 203 Cb 0.61 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 31.12 2o3o n GLU 203 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2o3o n ASP 205 N 0.17 0.00 0.05 1.62 8.00 -1.26 -2.93 116.55 122.20 2o3o n ASP 205 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2o3o n ASP 205 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2o3o n ASP 205 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2o3o h ALA 206 N 0.00 -0.26 -0.70 2.24 0.00 -1.78 0.19 119.26 118.95 2o3o h ALA 206 Ca 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2o3o h ALA 206 Cb 0.00 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2o3o h ALA 206 CO 0.00 -0.70 0.24 0.28 0.00 0.00 0.00 179.25 179.07 2o3o h VAL 207 N -0.33 1.25 -0.75 0.00 2.07 -1.83 0.67 116.25 117.33 2o3o h VAL 207 Ca 0.07 -0.82 0.02 0.00 0.82 0.00 0.00 66.70 66.78 2o3o h VAL 207 Cb 0.42 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 2o3o h VAL 207 CO -0.21 0.33 0.50 -0.33 0.02 0.00 0.00 177.57 177.87 2o3o h GLU 208 N 1.03 0.96 -0.44 1.57 5.08 -1.79 -2.50 114.58 118.49 2o3o h GLU 208 Ca 0.23 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.40 2o3o h GLU 208 Cb 0.25 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2o3o h GLU 208 CO -0.01 0.63 -0.26 1.25 -1.00 0.00 0.00 179.01 179.62 2o3o h LEU 209 N 0.99 0.96 0.03 1.33 5.85 0.12 -2.41 115.31 122.18 2o3o h LEU 209 Ca 0.28 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2o3o h LEU 209 Cb -0.06 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 2o3o h LEU 209 CO -0.07 1.16 -0.03 -0.07 -0.34 0.00 0.00 178.44 179.09 2o3o h LEU 210 N 0.80 -0.08 -0.34 2.25 3.38 -0.67 -2.49 115.31 118.16 2o3o h LEU 210 Ca 0.10 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2o3o h LEU 210 Cb 0.82 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 2o3o h LEU 210 CO 0.07 -0.05 -0.04 0.22 0.09 0.00 0.00 178.44 178.73 2o3o h TYR 211 N -0.07 -0.09 -0.98 1.13 3.20 -1.38 -0.53 116.97 118.25 2o3o h TYR 211 Ca 0.00 0.03 0.23 0.00 3.14 0.00 0.00 58.73 62.12 2o3o h TYR 211 Cb 0.07 0.09 -0.12 0.00 1.54 0.00 0.00 36.73 38.31 2o3o h TYR 211 CO -0.09 -0.10 0.57 -0.92 -1.64 0.00 0.00 178.16 175.98 2o3o h TYR 212 N 0.05 0.97 -0.20 -3.82 3.20 -1.25 0.18 116.97 116.11 2o3o h TYR 212 Ca 0.16 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.07 2o3o h TYR 212 Cb 0.24 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2o3o h TYR 212 CO -0.27 0.09 0.00 1.04 -1.64 0.00 0.00 178.16 177.38 2o3o n GLN 213 N -4.88 2.09 -1.92 1.82 6.02 -0.22 -4.89 117.38 115.40 2o3o n GLN 213 Ca 0.25 -0.98 -0.14 0.00 -0.01 0.00 0.00 57.00 56.12 2o3o n GLN 213 Cb 0.68 -1.61 -0.03 0.00 1.02 0.00 0.00 30.24 30.30 2o3o n GLN 213 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2o3o n ASN 214 N 0.20 -4.49 0.03 1.08 5.15 0.64 -4.90 115.26 112.97 2o3o n ASN 214 Ca 0.09 0.14 0.03 0.00 -0.60 0.00 0.00 54.58 54.24 2o3o n ASN 214 Cb 0.47 -3.48 -0.08 0.00 -0.53 0.00 0.00 39.78 36.16 2o3o n ASN 214 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2o3o n GLN 215 N -2.45 0.63 -3.31 1.20 1.13 -1.12 -4.81 117.38 108.64 2o3o n GLN 215 Ca -0.16 0.13 -0.42 0.00 -1.94 0.00 0.00 57.00 54.61 2o3o n GLN 215 Cb 0.56 -1.75 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 2o3o n GLN 215 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2o3o s LEU 216 N -5.49 4.58 0.54 1.08 1.43 -1.26 -5.01 118.68 114.54 2o3o s LEU 216 Ca -0.04 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.51 2o3o s LEU 216 Cb 0.09 -2.44 -0.06 0.00 0.03 0.00 0.00 46.19 43.82 2o3o s LEU 216 CO 0.82 -0.49 1.17 -0.54 0.23 0.00 0.00 176.35 177.54 2o3o s LYS 217 N 2.21 3.32 0.65 1.70 1.02 -1.26 -4.98 119.74 122.40 2o3o s LYS 217 Ca 0.14 1.74 -0.17 0.00 0.02 0.00 0.00 55.97 57.70 2o3o s LYS 217 Cb -0.16 -2.08 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 2o3o s LYS 217 CO 0.13 -0.90 0.69 0.39 -0.92 0.00 0.00 175.35 174.74 2o3o n GLU 218 N -1.19 0.53 -3.10 1.68 1.02 -1.26 -3.29 120.64 115.02 2o3o n GLU 218 Ca 0.11 0.22 -0.19 0.00 -0.02 0.00 0.00 57.16 57.29 2o3o n GLU 218 Cb 0.50 -1.93 0.05 0.00 -0.02 0.00 0.00 31.44 30.03 2o3o n GLU 218 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2o3o n TYR 219 N -2.04 -1.93 -4.19 -0.32 4.02 -0.70 -4.88 117.16 107.12 2o3o n TYR 219 Ca 0.12 0.60 -0.24 0.00 -0.01 0.00 0.00 57.90 58.37 2o3o n TYR 219 Cb 0.49 -4.04 -0.07 0.00 -0.02 0.00 0.00 39.34 35.69 2o3o n TYR 219 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2o3o s SER 220 N -2.99 4.43 -0.03 7.72 1.04 -1.21 -4.70 113.70 117.97 2o3o s SER 220 Ca 0.35 -0.94 0.02 0.00 0.48 0.00 0.00 55.95 55.85 2o3o s SER 220 Cb -0.15 -0.58 0.01 0.00 0.10 0.00 0.00 66.02 65.39 2o3o s SER 220 CO 0.43 -0.35 -0.07 -0.89 0.98 0.00 0.00 173.24 173.34 2o3o s THR 221 N -2.51 0.62 -0.48 2.02 2.01 -0.64 -1.83 115.64 114.84 2o3o s THR 221 Ca 0.38 -0.25 -0.23 0.00 0.31 0.00 0.00 61.69 61.90 2o3o s THR 221 Cb 0.00 -0.58 0.03 0.00 0.01 0.00 0.00 72.50 71.97 2o3o s THR 221 CO 0.21 0.21 0.78 -0.69 -0.69 0.00 0.00 174.62 174.45 2o3o s VAL 222 N 0.37 4.64 -0.10 3.82 1.01 -1.04 -1.26 120.40 127.85 2o3o s VAL 222 Ca -0.05 0.24 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 2o3o s VAL 222 Cb -0.09 -4.35 -0.17 0.00 0.00 0.00 0.00 36.38 31.77 2o3o s VAL 222 CO 0.00 -0.80 0.67 0.11 0.00 0.00 0.00 175.10 175.08 2o3o h LYS 223 N 9.04 -0.07 -4.60 2.72 1.79 -0.96 -3.32 116.57 121.18 2o3o h LYS 223 Ca -0.25 0.00 -0.24 0.00 -2.18 0.00 0.00 60.65 57.98 2o3o h LYS 223 Cb 1.09 0.02 -0.15 0.00 -1.58 0.00 0.00 32.23 31.60 2o3o h LYS 223 CO 0.98 0.50 -0.64 -1.54 -1.08 0.00 0.00 179.45 177.67 2o3o s SER 224 N -5.80 0.60 -0.49 0.86 1.04 -1.19 -4.95 113.70 103.77 2o3o s SER 224 Ca -0.13 -1.25 0.06 0.00 0.48 0.00 0.00 55.95 55.11 2o3o s SER 224 Cb -0.01 0.25 0.18 0.00 0.10 0.00 0.00 66.02 66.55 2o3o s SER 224 CO 0.47 -0.71 0.63 0.00 0.98 0.00 0.00 173.24 174.61 2o3o s LYS 226 N 0.75 3.53 -0.02 0.00 1.02 -0.51 -4.86 119.74 119.66 2o3o s LYS 226 Ca 0.30 -0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.03 2o3o s LYS 226 Cb 0.00 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2o3o s LYS 226 CO -0.08 0.29 -0.04 0.12 -0.92 0.00 0.00 175.35 174.71 2o3o s PHE 227 N -2.05 2.97 0.00 3.18 2.19 -1.26 -0.12 117.98 122.89 2o3o s PHE 227 Ca 0.40 0.02 0.00 0.00 0.33 0.00 0.00 56.93 57.68 2o3o s PHE 227 Cb -0.10 -1.66 0.00 0.00 -1.31 0.00 0.00 43.02 39.95 2o3o s PHE 227 CO 0.31 0.40 0.00 0.41 1.83 0.00 0.00 175.22 178.17 2o3o n GLY 228 N 1.66 1.78 3.13 13.12 0.00 -0.62 -4.39 105.19 119.87 2o3o n GLY 228 Ca -0.16 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.16 2o3o n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 229 N -1.93 0.96 0.05 1.61 1.51 0.36 -0.78 117.35 119.14 2o3o s TYR 229 Ca 0.00 -0.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.54 2o3o s TYR 229 Cb 0.00 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.28 2o3o s TYR 229 CO 0.00 -0.02 -0.09 0.14 -1.11 0.00 0.00 175.55 174.47 2o3o s VAL 230 N -1.76 0.68 -0.44 0.71 -7.23 -0.90 0.24 120.40 111.71 2o3o s VAL 230 Ca -0.02 -1.17 -0.28 0.00 -1.81 0.00 0.00 61.98 58.69 2o3o s VAL 230 Cb -0.07 -0.77 -0.00 0.00 0.56 0.00 0.00 36.38 36.10 2o3o s VAL 230 CO 0.01 -0.37 1.60 0.00 -0.31 0.00 0.00 175.10 176.02 2o3o s ALA 231 N -1.47 2.84 0.07 1.32 0.00 -1.26 -1.38 121.76 121.88 2o3o s ALA 231 Ca -0.07 -0.17 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 2o3o s ALA 231 Cb -0.09 -4.04 -0.15 0.00 0.00 0.00 0.00 23.12 18.84 2o3o s ALA 231 CO 0.01 -2.75 1.65 0.37 0.00 0.00 0.00 175.76 175.03 2o3o h GLN 232 N 12.02 0.04 -3.56 0.00 4.15 -1.14 -3.47 115.11 123.15 2o3o h GLN 232 Ca -0.29 -0.00 -0.06 0.00 0.77 0.00 0.00 58.65 59.07 2o3o h GLN 232 Cb 1.13 -0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.74 2o3o h GLN 232 CO 1.10 0.12 -0.05 1.52 -1.93 0.00 0.00 178.83 179.60 2o3o s TYR 233 N -5.79 0.34 0.33 3.99 -0.85 -1.26 -5.08 117.35 109.03 2o3o s TYR 233 Ca -0.14 -0.72 -0.14 0.00 -0.52 0.00 0.00 57.07 55.55 2o3o s TYR 233 Cb 0.05 0.28 -0.09 0.00 0.38 0.00 0.00 41.96 42.59 2o3o s TYR 233 CO 0.67 -1.09 0.73 -1.25 -1.52 0.00 0.00 175.55 173.09 2o3o s PRO 234 N -3.79 3.98 -0.34 -3.49 0.04 -1.26 -3.57 135.00 126.57 2o3o s PRO 234 Ca 0.21 0.64 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 2o3o s PRO 234 Cb -0.02 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.23 2o3o s PRO 234 CO 0.10 0.15 0.23 -1.17 0.04 0.00 0.00 177.00 176.35 2o3o s LEU 235 N -3.05 0.69 0.00 -3.56 0.20 0.50 -4.98 118.68 108.47 2o3o s LEU 235 Ca 0.54 -1.91 0.00 0.00 0.69 0.00 0.00 54.13 53.45 2o3o s LEU 235 Cb -0.10 -0.19 0.00 0.00 -0.43 0.00 0.00 46.19 45.47 2o3o s LEU 235 CO 0.19 -0.32 0.00 0.41 -0.29 0.00 0.00 176.35 176.34 2o3o n THR 236 N 4.29 0.00 0.27 3.68 -1.04 -1.26 -0.58 114.28 119.64 2o3o n THR 236 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.97 2o3o n THR 236 Cb 0.39 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 2o3o n THR 236 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 2o3o h SER 237 N 0.00 -0.62 -2.53 8.00 0.87 -1.98 -3.47 113.55 113.83 2o3o h SER 237 Ca 0.00 -0.03 -0.60 0.00 -1.23 0.00 0.00 61.79 59.93 2o3o h SER 237 Cb 0.00 0.16 0.13 0.00 -0.44 0.00 0.00 62.40 62.25 2o3o h SER 237 CO 0.00 -0.22 -0.08 0.41 -0.53 0.00 0.00 176.83 176.40 2o3o n THR 238 N -5.27 2.08 -4.25 2.23 -1.04 0.26 -4.16 114.28 104.13 2o3o n THR 238 Ca -0.10 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.17 2o3o n THR 238 Cb 0.31 -0.83 -0.07 0.00 -1.82 0.00 0.00 70.33 67.92 2o3o n THR 238 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2o3o s GLN 239 N -1.69 2.37 -0.14 -2.82 -1.52 -0.98 -0.37 119.66 114.52 2o3o s GLN 239 Ca 0.62 -1.26 0.00 0.00 -1.95 0.00 0.00 55.36 52.77 2o3o s GLN 239 Cb -0.63 -2.27 0.02 0.00 -0.22 0.00 0.00 33.01 29.91 2o3o s GLN 239 CO 0.58 0.41 -0.13 0.08 -0.25 0.00 0.00 175.29 175.98 2o3o s VAL 240 N -2.04 1.42 0.01 1.09 1.01 -1.23 -1.97 120.40 118.68 2o3o s VAL 240 Ca 0.29 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2o3o s VAL 240 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2o3o s VAL 240 CO 0.19 0.43 0.11 -0.76 0.00 0.00 0.00 175.10 175.08 2o3o s LEU 241 N 1.51 4.01 -0.01 3.92 1.43 0.23 -0.51 118.68 129.25 2o3o s LEU 241 Ca 0.04 0.18 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 2o3o s LEU 241 Cb -0.13 -2.39 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 2o3o s LEU 241 CO -0.09 0.26 -0.08 0.00 0.23 0.00 0.00 176.35 176.66 2o3o s ALA 242 N -1.25 0.73 0.28 4.21 0.00 -0.48 -2.50 121.76 122.75 2o3o s ALA 242 Ca 0.25 -0.32 -0.29 0.00 0.00 0.00 0.00 51.96 51.59 2o3o s ALA 242 Cb -0.12 -0.24 -0.10 0.00 0.00 0.00 0.00 23.12 22.67 2o3o s ALA 242 CO 0.16 0.15 1.21 -1.25 0.00 0.00 0.00 175.76 176.03 2o3o s PRO 243 N 0.01 4.49 0.05 0.00 0.04 -1.26 -2.11 135.00 136.22 2o3o s PRO 243 Ca 0.00 2.00 0.01 0.00 0.04 0.00 0.00 61.00 63.05 2o3o s PRO 243 Cb -0.06 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.31 2o3o s PRO 243 CO -0.00 -0.02 -0.06 0.14 0.04 0.00 0.00 177.00 177.10 2o3o s VAL 244 N -0.92 0.48 -0.24 -0.36 -7.23 0.04 -0.68 120.40 111.50 2o3o s VAL 244 Ca 0.48 -1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.25 2o3o s VAL 244 Cb -0.36 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.67 2o3o s VAL 244 CO 0.45 -0.56 0.15 0.26 -0.31 0.00 0.00 175.10 175.09 2o3o s TRP 245 N -2.10 3.31 -0.31 2.82 0.52 0.14 -1.59 118.94 121.74 2o3o s TRP 245 Ca -0.05 0.20 -0.18 0.00 0.02 0.00 0.00 56.10 56.09 2o3o s TRP 245 Cb -0.05 -2.26 -0.01 0.00 -1.15 0.00 0.00 33.47 30.00 2o3o s TRP 245 CO -0.02 0.06 0.54 1.03 0.02 0.00 0.00 176.95 178.59 2o3o s ARG 246 N 1.02 3.84 -0.12 4.98 1.81 0.84 -0.48 118.95 130.84 2o3o s ARG 246 Ca 0.07 0.11 0.01 0.00 -1.72 0.00 0.00 55.73 54.21 2o3o s ARG 246 Cb -0.13 -3.73 -0.01 0.00 -0.45 0.00 0.00 34.95 30.62 2o3o s ARG 246 CO 0.04 -0.53 -0.17 0.42 -0.68 0.00 0.00 175.30 174.39 2o3o s ILE 247 N 2.42 2.71 -0.25 1.52 1.01 0.32 -1.43 121.20 127.50 2o3o s ILE 247 Ca 0.21 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2o3o s ILE 247 Cb -0.15 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.22 2o3o s ILE 247 CO 0.12 0.53 -0.03 -0.89 0.00 0.00 0.00 174.94 174.67 2o3o s THR 248 N 0.38 3.29 0.11 2.92 2.01 -0.94 -0.64 115.64 122.77 2o3o s THR 248 Ca -0.13 -0.74 0.10 0.00 0.31 0.00 0.00 61.69 61.23 2o3o s THR 248 Cb -0.17 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 2o3o s THR 248 CO 0.06 0.27 -0.24 0.54 -0.69 0.00 0.00 174.62 174.57 2o3o s VAL 249 N 1.42 2.45 0.05 3.82 0.11 -0.77 -0.22 120.40 127.26 2o3o s VAL 249 Ca 0.03 -1.61 0.03 0.00 -2.93 0.00 0.00 61.98 57.51 2o3o s VAL 249 Cb -0.16 -2.08 -0.02 0.00 -1.53 0.00 0.00 36.38 32.59 2o3o s VAL 249 CO -0.03 0.14 -0.10 -1.83 -3.33 0.00 0.00 175.10 169.95 2o3o s GLU 250 N -1.95 0.67 0.12 1.54 -1.05 -0.39 -0.90 118.70 116.75 2o3o s GLU 250 Ca 0.15 -0.76 -0.03 0.00 -0.15 0.00 0.00 54.97 54.18 2o3o s GLU 250 Cb -0.10 -0.57 0.01 0.00 -0.44 0.00 0.00 34.13 33.03 2o3o s GLU 250 CO 0.07 0.13 0.20 2.48 0.95 0.00 0.00 175.26 179.08 2o3o n TYR 251 N 1.63 -1.08 -2.46 4.83 0.18 -0.97 -1.62 117.16 117.67 2o3o n TYR 251 Ca -0.21 -0.66 -0.43 0.00 1.88 0.00 0.00 57.90 58.48 2o3o n TYR 251 Cb 0.55 0.23 -0.02 0.00 -0.38 0.00 0.00 39.34 39.72 2o3o n TYR 251 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2o3o s GLU 252 N -2.14 3.60 -1.20 -3.48 8.01 -1.26 -1.83 118.70 120.39 2o3o s GLU 252 Ca 0.07 0.72 -0.12 0.00 0.01 0.00 0.00 54.97 55.65 2o3o s GLU 252 Cb -0.01 -3.99 0.19 0.00 -4.31 0.00 0.00 34.13 26.01 2o3o s GLU 252 CO 0.05 -1.54 1.45 2.41 0.01 0.00 0.00 175.26 177.64 2o3o n THR 261 N 6.96 4.35 -3.78 3.63 -1.04 -1.26 -5.16 114.28 117.99 2o3o n THR 261 Ca 0.14 -4.83 -0.28 0.00 -2.04 0.00 0.00 64.05 57.04 2o3o n THR 261 Cb 0.49 -2.46 -0.03 0.00 -1.82 0.00 0.00 70.33 66.50 2o3o n THR 261 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2o3o s VAL 262 N 0.81 5.25 0.02 12.58 1.01 -0.76 -5.11 120.40 134.20 2o3o s VAL 262 Ca 0.40 -0.38 -0.00 0.00 0.00 0.00 0.00 61.98 62.00 2o3o s VAL 262 Cb -0.02 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2o3o s VAL 262 CO -0.01 -0.07 0.11 -1.10 0.00 0.00 0.00 175.10 174.03 2o3o s GLN 263 N -3.08 3.12 0.03 2.72 -0.21 -1.26 -2.28 119.66 118.70 2o3o s GLN 263 Ca 0.37 -0.50 0.05 0.00 0.02 0.00 0.00 55.36 55.31 2o3o s GLN 263 Cb -0.11 -2.89 -0.02 0.00 1.00 0.00 0.00 33.01 30.99 2o3o s GLN 263 CO 0.28 0.63 -0.15 -1.21 -2.12 0.00 0.00 175.29 172.73 2o3o s GLU 264 N -1.99 1.01 0.04 2.91 2.02 -0.08 -5.01 118.70 117.61 2o3o s GLU 264 Ca 0.26 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.58 2o3o s GLU 264 Cb -0.12 -1.02 -0.03 0.00 0.10 0.00 0.00 34.13 33.05 2o3o s GLU 264 CO 0.18 0.26 -0.12 0.71 0.02 0.00 0.00 175.26 176.31 2o3o s TYR 265 N -0.74 2.73 0.02 1.61 1.51 -1.26 -1.85 117.35 119.37 2o3o s TYR 265 Ca 0.03 -0.15 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 2o3o s TYR 265 Cb -0.07 -1.52 -0.01 0.00 -0.11 0.00 0.00 41.96 40.24 2o3o s TYR 265 CO 0.01 0.33 -0.06 -0.06 -1.11 0.00 0.00 175.55 174.67 2o3o s PHE 266 N -1.01 0.48 -0.25 2.71 0.40 0.19 -4.97 117.98 115.54 2o3o s PHE 266 Ca 0.17 -0.32 -0.01 0.00 -0.60 0.00 0.00 56.93 56.17 2o3o s PHE 266 Cb -0.11 -0.30 0.03 0.00 0.51 0.00 0.00 43.02 43.15 2o3o s PHE 266 CO 0.08 -0.06 -0.08 0.99 0.70 0.00 0.00 175.22 176.84 2o3o s THR 267 N -0.84 2.70 -0.10 0.64 2.01 -1.26 -0.53 115.64 118.25 2o3o s THR 267 Ca -0.06 -1.13 -0.01 0.00 0.31 0.00 0.00 61.69 60.80 2o3o s THR 267 Cb -0.06 -2.39 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2o3o s THR 267 CO -0.00 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.37 2o3o s VAL 268 N 1.28 3.86 0.17 3.82 1.01 0.37 -4.95 120.40 125.97 2o3o s VAL 268 Ca -0.01 -0.40 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 2o3o s VAL 268 Cb -0.17 -2.63 -0.09 0.00 0.00 0.00 0.00 36.38 33.49 2o3o s VAL 268 CO -0.05 0.56 1.40 0.21 0.00 0.00 0.00 175.10 177.22 2o3o s ASN 269 N -0.37 6.78 0.26 3.32 3.04 -1.26 0.27 114.94 126.97 2o3o s ASN 269 Ca 0.06 2.45 0.21 0.00 0.04 0.00 0.00 52.86 55.62 2o3o s ASN 269 Cb -0.12 -2.60 0.08 0.00 -1.54 0.00 0.00 41.25 37.07 2o3o s ASN 269 CO 0.02 -0.65 1.22 0.00 -3.04 0.00 0.00 177.10 174.65 2o3o h ALA 270 N 6.06 0.69 -2.58 1.71 0.00 -1.23 -3.45 119.26 120.45 2o3o h ALA 270 Ca -0.44 -0.20 -0.50 0.00 0.00 0.00 0.00 54.91 53.78 2o3o h ALA 270 Cb 1.21 0.04 0.07 0.00 0.00 0.00 0.00 17.79 19.11 2o3o h ALA 270 CO 0.83 0.23 0.43 -0.51 0.00 0.00 0.00 179.25 180.23 2o3o s LEU 271 N -5.81 3.74 0.00 0.00 1.43 -1.26 -0.60 118.68 116.19 2o3o s LEU 271 Ca 0.02 2.16 0.12 0.00 -1.03 0.00 0.00 54.13 55.40 2o3o s LEU 271 Cb 0.08 -4.58 0.02 0.00 0.03 0.00 0.00 46.19 41.74 2o3o s LEU 271 CO 0.75 -1.22 0.73 1.21 0.23 0.00 0.00 176.35 178.06 2o3o n GLU 272 N -1.33 1.72 -2.60 1.70 2.13 -1.25 -4.79 120.64 116.22 2o3o n GLU 272 Ca 0.11 -0.78 -0.41 0.00 0.66 0.00 0.00 57.16 56.74 2o3o n GLU 272 Cb 0.51 -1.16 -0.03 0.00 0.27 0.00 0.00 31.44 31.03 2o3o n GLU 272 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2o3o s SER 273 N -1.42 6.21 -0.01 4.31 1.04 -1.26 -4.75 113.70 117.82 2o3o s SER 273 Ca 0.11 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 56.12 2o3o s SER 273 Cb 0.10 -2.54 -0.02 0.00 0.10 0.00 0.00 66.02 63.65 2o3o s SER 273 CO 0.27 -1.72 0.01 0.35 0.98 0.00 0.00 173.24 173.13 2o3o n THR 274 N 6.36 0.10 -3.80 2.02 -2.24 -1.26 -5.01 114.28 110.45 2o3o n THR 274 Ca 0.03 -0.07 -0.35 0.00 -2.27 0.00 0.00 64.05 61.39 2o3o n THR 274 Cb 0.49 -0.68 -0.05 0.00 -2.10 0.00 0.00 70.33 67.98 2o3o n THR 274 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2o3o s ILE 275 N -2.06 5.35 0.37 2.28 1.01 -1.26 -5.12 121.20 121.77 2o3o s ILE 275 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.80 2o3o s ILE 275 Cb 0.01 -3.55 -0.07 0.00 0.01 0.00 0.00 42.46 38.86 2o3o s ILE 275 CO 0.07 0.38 0.03 -0.76 0.00 0.00 0.00 174.94 174.67 2o3o s LEU 276 N -1.72 2.56 0.19 2.97 1.43 -1.26 -5.12 118.68 117.73 2o3o s LEU 276 Ca 0.26 -1.38 -0.30 0.00 -1.03 0.00 0.00 54.13 51.68 2o3o s LEU 276 Cb -0.13 -0.67 -0.09 0.00 0.03 0.00 0.00 46.19 45.34 2o3o s LEU 276 CO 0.15 -0.52 1.30 -0.62 0.23 0.00 0.00 176.35 176.89 2o3o s ASP 277 N -3.61 6.91 0.00 2.29 -1.08 -1.26 -5.30 116.67 114.62 2o3o s ASP 277 Ca 0.36 2.38 0.00 0.00 -0.52 0.00 0.00 52.55 54.76 2o3o s ASP 277 Cb 0.09 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.95 2o3o s ASP 277 CO 0.17 -0.52 0.00 0.41 0.52 0.00 0.00 175.17 175.75