#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 0.54 0.00 -1.58 4.07 -1.26 -4.74 120.64 117.68 2o3o n GLU 35 Ca 0.00 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.23 2o3o n GLU 35 Cb 0.00 -0.61 0.74 0.00 -0.06 0.00 0.00 31.44 31.51 2o3o n GLU 35 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 2o3o n TYR 36 N -1.18 0.00 0.29 4.31 0.18 -1.26 -2.08 117.16 117.42 2o3o n TYR 36 Ca 0.00 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.64 2o3o n TYR 36 Cb 0.11 -0.08 -0.07 0.00 -0.38 0.00 0.00 39.34 38.92 2o3o n TYR 36 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 2o3o h GLU 37 N 0.00 -0.75 -0.85 -3.48 4.57 -1.98 0.33 114.58 112.42 2o3o h GLU 37 Ca 0.00 0.05 0.19 0.00 -1.18 0.00 0.00 59.36 58.42 2o3o h GLU 37 Cb 0.07 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 28.72 2o3o h GLU 37 CO 0.00 -0.45 0.35 0.28 -1.18 0.00 0.00 179.01 178.01 2o3o h VAL 38 N -1.11 0.55 0.04 0.32 2.07 -1.76 -1.30 116.25 115.05 2o3o h VAL 38 Ca -0.08 -0.15 -0.27 0.00 0.82 0.00 0.00 66.70 67.02 2o3o h VAL 38 Cb 0.64 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 2o3o h VAL 38 CO 0.13 0.08 -1.45 0.40 0.02 0.00 0.00 177.57 176.75 2o3o h ILE 39 N 0.42 1.19 -0.18 4.57 1.08 -1.43 -1.46 117.51 121.71 2o3o h ILE 39 Ca 0.50 -2.94 -0.18 0.00 -0.39 0.00 0.00 64.86 61.85 2o3o h ILE 39 Cb 0.87 2.65 -0.00 0.00 -3.07 0.00 0.00 36.82 37.28 2o3o h ILE 39 CO -0.48 0.75 -0.63 0.11 -0.69 0.00 0.00 178.15 177.20 2o3o h LYS 40 N 0.02 0.64 -0.01 2.37 1.57 0.01 -2.67 116.57 118.51 2o3o h LYS 40 Ca -0.19 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2o3o h LYS 40 Cb 1.94 0.07 0.00 0.00 0.08 0.00 0.00 32.23 34.32 2o3o h LYS 40 CO 0.12 1.07 -0.11 0.27 -0.57 0.00 0.00 179.45 180.23 2o3o n ASN 41 N -3.94 0.71 0.14 0.86 6.94 -0.52 -1.31 115.26 118.14 2o3o n ASN 41 Ca -0.04 -0.82 -0.06 0.00 -0.02 0.00 0.00 54.58 53.63 2o3o n ASN 41 Cb 0.66 -0.01 -0.03 0.00 -2.36 0.00 0.00 39.78 38.04 2o3o n ASN 41 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 2o3o h ASP 42 N 0.93 -0.33 -0.94 0.53 5.19 -1.08 -2.51 116.42 118.21 2o3o h ASP 42 Ca 0.00 0.01 0.26 0.00 -0.62 0.00 0.00 57.03 56.68 2o3o h ASP 42 Cb 0.38 0.08 -0.13 0.00 0.18 0.00 0.00 39.33 39.84 2o3o h ASP 42 CO 0.00 -0.12 0.45 0.58 -3.12 0.00 0.00 179.24 177.03 2o3o h VAL 43 N -0.63 0.41 -0.23 -1.35 2.07 -1.49 0.19 116.25 115.22 2o3o h VAL 43 Ca -0.04 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2o3o h VAL 43 Cb 0.30 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 2o3o h VAL 43 CO 0.07 0.07 0.14 -0.08 0.02 0.00 0.00 177.57 177.78 2o3o h GLU 44 N 0.38 0.31 -0.03 1.57 4.81 -1.29 -2.91 114.58 117.41 2o3o h GLU 44 Ca 0.62 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2o3o h GLU 44 Cb 1.27 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2o3o h GLU 44 CO -0.56 0.26 0.01 0.45 -0.73 0.00 0.00 179.01 178.43 2o3o h HIS 45 N 0.28 0.05 0.00 0.92 3.86 -0.41 -2.86 115.15 116.99 2o3o h HIS 45 Ca 0.08 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2o3o h HIS 45 Cb 0.03 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.48 2o3o h HIS 45 CO -0.05 0.25 0.00 -0.25 0.86 0.00 0.00 177.93 178.74 2o3o n ASP 46 N -4.96 0.00 0.00 2.45 10.43 0.43 -0.96 116.55 123.94 2o3o n ASP 46 Ca -0.07 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.29 2o3o n ASP 46 Cb 0.13 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.09 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 0.53 0.00 -0.02 -1.24 3.00 -1.08 -1.84 118.16 117.50 2o3o n LYS 48 Ca 0.00 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.44 2o3o n LYS 48 Cb 0.00 0.00 0.56 0.00 0.00 0.00 0.00 35.03 35.59 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 2.11 -0.46 3.14 0.00 -1.34 -0.40 119.26 122.32 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 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2o3o h ALA 49 CO 0.00 -0.23 0.00 -0.25 0.00 0.00 0.00 179.25 178.77 2o3o n ASP 50 N -4.46 2.56 -3.60 0.00 9.92 -0.77 -4.96 116.55 115.25 2o3o n ASP 50 Ca 0.08 -1.98 -0.21 0.00 -0.53 0.00 0.00 54.79 52.15 2o3o n ASP 50 Cb 0.38 -0.30 0.05 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.90 -2.03 -3.73 1.24 8.25 -0.16 -1.64 115.22 118.04 2o3o n HIS 51 Ca 0.16 0.81 -0.37 0.00 -0.26 0.00 0.00 57.72 58.06 2o3o n HIS 51 Cb 0.41 -4.33 -0.12 0.00 1.12 0.00 0.00 29.99 27.06 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 -3.56 4.18 -0.13 1.59 1.01 -1.26 -2.79 121.20 120.24 2o3o s ILE 52 Ca 0.13 -0.54 -0.08 0.00 0.00 0.00 0.00 60.65 60.16 2o3o s ILE 52 Cb -0.03 -3.12 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2o3o s ILE 52 CO 0.80 0.12 0.15 -0.89 0.00 0.00 0.00 174.94 175.12 2o3o s THR 53 N 1.55 5.47 0.01 2.92 2.01 -0.62 -4.65 115.64 122.32 2o3o s THR 53 Ca 0.04 0.24 -0.06 0.00 0.31 0.00 0.00 61.69 62.22 2o3o s THR 53 Cb -0.17 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 2o3o s THR 53 CO 0.04 0.58 0.10 -0.72 -0.69 0.00 0.00 174.62 173.93 2o3o s TYR 54 N -0.75 0.10 -0.03 4.92 -0.85 -1.26 -0.36 117.35 119.12 2o3o s TYR 54 Ca 0.14 -0.26 0.01 0.00 -0.52 0.00 0.00 57.07 56.45 2o3o s TYR 54 Cb -0.12 -0.09 0.01 0.00 0.38 0.00 0.00 41.96 42.15 2o3o s TYR 54 CO 0.03 -0.28 -0.04 -1.21 -1.52 0.00 0.00 175.55 172.53 2o3o s GLU 55 N -1.56 0.64 -1.25 -3.49 2.02 -1.26 -4.92 118.70 108.88 2o3o s GLU 55 Ca -0.14 -0.12 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 2o3o s GLU 55 Cb -0.07 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.50 2o3o s GLU 55 CO 0.00 -0.01 1.08 0.41 0.02 0.00 0.00 175.26 176.76 2o3o n GLY 56 N 3.66 -0.43 3.76 -1.39 0.00 -1.26 -4.97 105.19 104.56 2o3o n GLY 56 Ca -0.22 0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -6.77 4.40 0.25 0.99 1.43 -1.26 -5.04 118.68 112.69 2o3o s LEU 57 Ca 0.44 1.14 -0.30 0.00 -1.03 0.00 0.00 54.13 54.38 2o3o s LEU 57 Cb -0.19 -2.92 -0.10 0.00 0.03 0.00 0.00 46.19 43.01 2o3o s LEU 57 CO 0.69 0.08 1.38 0.21 0.23 0.00 0.00 176.35 178.94 2o3o s ASN 58 N -0.09 6.74 0.00 2.29 2.47 -1.26 -4.92 114.94 120.17 2o3o s ASN 58 Ca 0.31 2.60 0.09 0.00 0.42 0.00 0.00 52.86 56.28 2o3o s ASN 58 Cb -0.18 -2.62 -0.02 0.00 -1.45 0.00 0.00 41.25 36.98 2o3o s ASN 58 CO 0.17 -0.62 0.56 0.29 -3.72 0.00 0.00 177.10 173.78 2o3o n LYS 59 N 2.12 2.49 -3.21 0.43 5.02 -1.26 -3.03 118.16 120.72 2o3o n LYS 59 Ca 0.05 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.52 2o3o n LYS 59 Cb 0.41 -1.03 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 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 -1.39 4.11 0.68 1.97 0.41 -1.26 -4.90 118.70 118.32 2o3o s GLU 60 Ca 0.07 0.69 -0.15 0.00 -0.41 0.00 0.00 54.97 55.17 2o3o s GLU 60 Cb 0.07 -2.83 0.01 0.00 -1.78 0.00 0.00 34.13 29.61 2o3o s GLU 60 CO 0.26 0.39 1.14 0.00 -0.49 0.00 0.00 175.26 176.55 2o3o s ALA 61 N -1.58 2.35 0.03 5.21 0.00 -1.26 -4.70 121.76 121.81 2o3o s ALA 61 Ca 0.43 0.65 -0.03 0.00 0.00 0.00 0.00 51.96 53.01 2o3o s ALA 61 Cb -0.15 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 2o3o s ALA 61 CO 0.20 -1.48 0.03 0.95 0.00 0.00 0.00 175.76 175.46 2o3o s THR 62 N -2.24 0.13 -0.16 0.00 -4.23 -1.26 -5.02 115.64 102.87 2o3o s THR 62 Ca 0.69 -1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 60.00 2o3o s THR 62 Cb -0.23 -0.69 -0.05 0.00 1.34 0.00 0.00 72.50 72.87 2o3o s THR 62 CO 0.43 -0.60 0.21 -1.61 -0.54 0.00 0.00 174.62 172.51 2o3o s GLU 63 N -2.22 4.05 0.00 3.99 0.41 -1.26 0.55 118.70 124.21 2o3o s GLU 63 Ca -0.09 -0.05 0.00 0.00 -0.41 0.00 0.00 54.97 54.43 2o3o s GLU 63 Cb -0.04 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 2o3o s GLU 63 CO -0.03 0.40 0.00 0.41 -0.49 0.00 0.00 175.26 175.54 2o3o n GLY 64 N 3.06 6.52 3.48 -1.39 0.00 0.72 -4.90 105.19 112.68 2o3o n GLY 64 Ca -0.15 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 2o3o n GLY 64 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2o3o s TYR 65 N 0.35 -0.52 0.37 1.61 -0.85 -1.26 -1.37 117.35 115.68 2o3o s TYR 65 Ca 0.00 0.58 -0.25 0.00 -0.52 0.00 0.00 57.07 56.88 2o3o s TYR 65 Cb 0.00 0.50 -0.09 0.00 0.38 0.00 0.00 41.96 42.74 2o3o s TYR 65 CO 0.00 -0.66 1.01 1.03 -1.52 0.00 0.00 175.55 175.40 2o3o s ARG 66 N -2.58 4.35 0.12 -3.49 0.52 -1.07 -4.38 118.95 112.42 2o3o s ARG 66 Ca -0.02 1.44 0.05 0.00 -0.52 0.00 0.00 55.73 56.68 2o3o s ARG 66 Cb -0.01 -2.65 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 2o3o s ARG 66 CO -0.04 0.04 -0.12 0.96 0.02 0.00 0.00 175.30 176.16 2o3o s ILE 67 N -1.65 1.20 0.34 1.52 -4.36 -0.85 -1.60 121.20 115.82 2o3o s ILE 67 Ca 0.54 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 59.29 2o3o s ILE 67 Cb -0.20 -1.52 -0.06 0.00 1.25 0.00 0.00 42.46 41.92 2o3o s ILE 67 CO 0.26 -0.50 -0.08 0.42 0.24 0.00 0.00 174.94 175.28 2o3o s THR 68 N -2.37 2.30 -0.15 8.37 -4.23 -0.51 -0.48 115.64 118.57 2o3o s THR 68 Ca 0.09 -2.17 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 2o3o s THR 68 Cb -0.03 -2.67 0.12 0.00 1.34 0.00 0.00 72.50 71.26 2o3o s THR 68 CO 0.02 -0.20 0.96 0.00 -0.54 0.00 0.00 174.62 174.86 2o3o s ALA 69 N -2.60 -1.92 0.19 3.99 0.00 -0.86 -1.74 121.76 118.83 2o3o s ALA 69 Ca 0.33 1.57 -0.14 0.00 0.00 0.00 0.00 51.96 53.72 2o3o s ALA 69 Cb 0.02 -0.66 -0.07 0.00 0.00 0.00 0.00 23.12 22.41 2o3o s ALA 69 CO 0.17 -0.31 0.58 -0.80 0.00 0.00 0.00 175.76 175.40 2o3o s ASN 70 N -1.08 6.79 -0.42 0.00 0.01 -0.21 -1.46 114.94 118.58 2o3o s ASN 70 Ca -0.03 1.09 -0.29 0.00 -0.71 0.00 0.00 52.86 52.92 2o3o s ASN 70 Cb -0.01 -2.29 0.02 0.00 0.41 0.00 0.00 41.25 39.38 2o3o s ASN 70 CO 0.02 0.02 1.19 -1.58 -1.51 0.00 0.00 177.10 175.24 2o3o s GLN 71 N -2.27 3.78 0.21 -0.60 2.00 -1.10 -0.90 119.66 120.78 2o3o s GLN 71 Ca 0.42 0.79 -0.32 0.00 -2.00 0.00 0.00 55.36 54.25 2o3o s GLN 71 Cb -0.14 -3.89 -0.13 0.00 0.80 0.00 0.00 33.01 29.65 2o3o s GLN 71 CO 0.20 -1.29 1.48 1.17 -0.50 0.00 0.00 175.29 176.34 2o3o n LYS 72 N 7.64 2.12 -3.88 1.67 3.00 0.08 -4.95 118.16 123.84 2o3o n LYS 72 Ca 0.13 0.76 -0.36 0.00 -0.00 0.00 0.00 58.31 58.84 2o3o n LYS 72 Cb 0.48 -2.46 -0.11 0.00 0.00 0.00 0.00 35.03 32.93 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 0.54 5.37 -0.12 3.14 0.15 -1.26 -4.45 113.70 117.07 2o3o s SER 73 Ca 0.72 -0.08 -0.22 0.00 0.70 0.00 0.00 55.95 57.07 2o3o s SER 73 Cb -0.65 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 61.68 2o3o s SER 73 CO 0.45 0.05 0.66 -0.36 1.20 0.00 0.00 173.24 175.24 2o3o s PHE 74 N 1.10 3.50 0.30 3.44 0.40 0.85 -4.98 117.98 122.59 2o3o s PHE 74 Ca 0.04 1.11 -0.06 0.00 -0.60 0.00 0.00 56.93 57.42 2o3o s PHE 74 Cb -0.14 -2.78 -0.06 0.00 0.51 0.00 0.00 43.02 40.55 2o3o s PHE 74 CO 0.03 0.01 0.59 -1.54 0.70 0.00 0.00 175.22 175.01 2o3o s SER 75 N 0.90 6.48 0.40 1.36 1.04 -1.26 -4.53 113.70 118.08 2o3o s SER 75 Ca 0.34 0.81 0.13 0.00 0.48 0.00 0.00 55.95 57.70 2o3o s SER 75 Cb -0.17 -2.18 0.95 0.00 0.10 0.00 0.00 66.02 64.72 2o3o s SER 75 CO 0.14 -0.22 1.91 0.50 0.98 0.00 0.00 173.24 176.56 2o3o h LYS 76 N 1.71 0.51 -0.17 4.02 3.64 -1.97 0.17 116.57 124.49 2o3o h LYS 76 Ca -0.47 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2o3o h LYS 76 Cb 1.19 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 2o3o h LYS 76 CO 0.66 0.34 0.09 0.93 -2.27 0.00 0.00 179.45 179.20 2o3o h GLU 77 N 0.53 0.23 -0.69 1.90 5.08 -1.96 -2.91 114.58 116.76 2o3o h GLU 77 Ca 0.39 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.71 2o3o h GLU 77 Cb 0.75 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2o3o h GLU 77 CO -0.14 0.22 0.37 0.93 -1.00 0.00 0.00 179.01 179.38 2o3o h GLU 78 N 0.18 0.95 0.17 2.33 5.08 -1.08 -2.14 114.58 120.08 2o3o h GLU 78 Ca 0.06 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2o3o h GLU 78 Cb 0.05 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.11 2o3o h GLU 78 CO -0.01 0.71 -0.08 0.82 -1.00 0.00 0.00 179.01 179.44 2o3o h ILE 79 N 0.96 0.87 -0.37 3.13 2.04 -1.33 -3.19 117.51 119.62 2o3o h ILE 79 Ca 0.24 -1.04 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 2o3o h ILE 79 Cb 0.04 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.47 2o3o h ILE 79 CO -0.04 0.21 0.15 -1.84 0.00 0.00 0.00 178.15 176.63 2o3o n GLU 80 N -4.95 2.27 0.00 2.37 0.28 -1.10 -2.53 120.64 116.97 2o3o n GLU 80 Ca -0.08 -1.47 0.11 0.00 -0.16 0.00 0.00 57.16 55.55 2o3o n GLU 80 Cb 0.26 -1.72 -0.03 0.00 1.43 0.00 0.00 31.44 31.38 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 0.02 4.13 -2.59 -1.84 0.00 -0.80 -4.93 120.51 114.50 2o3o n ALA 81 Ca 0.21 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 2o3o n ALA 81 Cb 0.88 -0.82 -0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.77 3.86 0.23 0.00 1.43 -1.05 -5.00 118.68 115.39 2o3o s LEU 82 Ca 0.13 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.28 2o3o s LEU 82 Cb 0.17 -3.35 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 2o3o s LEU 82 CO 0.72 -1.10 1.22 -0.75 0.23 0.00 0.00 176.35 176.67 2o3o s LYS 83 N 3.98 4.48 -1.45 1.70 2.20 -1.26 -3.29 119.74 126.11 2o3o s LYS 83 Ca 0.42 1.95 -0.08 0.00 -0.36 0.00 0.00 55.97 57.89 2o3o s LYS 83 Cb -0.09 -3.19 0.05 0.00 -1.51 0.00 0.00 37.83 33.09 2o3o s LYS 83 CO 0.27 -0.07 0.88 -0.25 -0.36 0.00 0.00 175.35 175.82 2o3o n ASP 84 N 1.98 -3.45 -3.89 1.43 8.00 -1.26 -4.99 116.55 114.37 2o3o n ASP 84 Ca 0.03 -0.79 -0.13 0.00 0.71 0.00 0.00 54.79 54.61 2o3o n ASP 84 Cb 0.44 -3.96 -0.14 0.00 -0.02 0.00 0.00 41.12 37.44 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 -6.38 0.08 -0.03 -1.24 -0.21 -1.21 -1.92 119.66 108.75 2o3o s GLN 85 Ca 0.41 -0.04 0.07 0.00 0.02 0.00 0.00 55.36 55.82 2o3o s GLN 85 Cb -0.20 -0.08 -0.02 0.00 1.00 0.00 0.00 33.01 33.71 2o3o s GLN 85 CO 0.82 0.02 -0.25 0.15 -2.12 0.00 0.00 175.29 173.91 2o3o s LYS 86 N -0.03 2.22 0.32 2.91 -0.14 0.10 -4.90 119.74 120.23 2o3o s LYS 86 Ca 0.00 -0.90 -0.28 0.00 -1.36 0.00 0.00 55.97 53.43 2o3o s LYS 86 Cb -0.00 -2.04 -0.09 0.00 -1.68 0.00 0.00 37.83 34.01 2o3o s LYS 86 CO -0.00 0.48 1.14 -1.25 -0.76 0.00 0.00 175.35 174.97 2o3o s PRO 87 N -0.44 4.45 -0.43 -1.68 0.04 -1.26 0.47 135.00 136.15 2o3o s PRO 87 Ca 0.05 1.85 0.05 0.00 0.04 0.00 0.00 61.00 62.99 2o3o s PRO 87 Cb -0.11 -3.02 0.43 0.00 0.04 0.00 0.00 34.50 31.83 2o3o s PRO 87 CO 0.01 0.02 1.17 1.28 0.04 0.00 0.00 177.00 179.52 2o3o n LEU 88 N 0.81 4.88 0.00 -3.56 4.77 0.12 -4.88 117.00 119.15 2o3o n LEU 88 Ca 0.01 -5.11 0.00 0.00 -0.03 0.00 0.00 56.01 50.88 2o3o n LEU 88 Cb 0.45 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2o3o n LEU 88 CO 0.53 2.19 0.00 0.47 -1.33 0.00 0.00 177.39 179.26 2o3o n ASP 90 N -0.53 0.00 -4.90 -1.43 8.00 -1.26 -4.90 116.55 111.54 2o3o n ASP 90 Ca 0.41 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.65 2o3o n ASP 90 Cb 0.70 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.76 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 2.44 3.26 0.13 -0.24 0.04 -1.26 -4.91 135.00 134.46 2o3o s PRO 92 Ca 0.00 -0.69 -0.11 0.00 0.04 0.00 0.00 61.00 60.24 2o3o s PRO 92 Cb 0.00 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.72 2o3o s PRO 92 CO 0.00 0.51 0.52 -1.13 0.04 0.00 0.00 177.00 176.94 2o3o n SER 93 N -0.52 -1.00 0.06 6.66 3.41 0.63 -4.95 113.62 117.91 2o3o n SER 93 Ca -0.07 -1.57 -0.15 0.00 -0.26 0.00 0.00 58.87 56.81 2o3o n SER 93 Cb 0.54 1.64 -0.09 0.00 -0.26 0.00 0.00 64.21 66.04 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 1.05 -1.51 0.95 4.04 5.19 -2.07 -3.16 116.42 120.90 2o3o h ASP 94 Ca -0.15 0.17 -0.21 0.00 -0.62 0.00 0.00 57.03 56.22 2o3o h ASP 94 Cb 0.64 0.57 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 2o3o h ASP 94 CO 0.20 -0.49 -0.98 -0.78 -3.12 0.00 0.00 179.24 174.07 2o3o h ASP 95 N -0.63 0.03 -3.38 6.45 1.82 -2.09 -3.45 116.42 115.17 2o3o h ASP 95 Ca 0.01 -0.03 -0.66 0.00 -0.39 0.00 0.00 57.03 55.96 2o3o h ASP 95 Cb 0.67 -0.01 -0.25 0.00 0.68 0.00 0.00 39.33 40.42 2o3o h ASP 95 CO -0.32 0.99 -0.74 -2.28 -1.61 0.00 0.00 179.24 175.29 2o3o s HIS 96 N -2.78 2.85 0.17 0.28 2.46 -1.20 -5.12 115.29 111.96 2o3o s HIS 96 Ca 0.00 -0.51 0.05 0.00 0.47 0.00 0.00 55.06 55.07 2o3o s HIS 96 Cb 0.10 -1.85 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 2o3o s HIS 96 CO 0.82 -0.12 0.18 0.15 -2.47 0.00 0.00 174.74 173.30 2o3o s LYS 97 N 0.23 3.04 -0.26 2.88 1.02 -1.26 -0.27 119.74 125.12 2o3o s LYS 97 Ca -0.07 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.12 2o3o s LYS 97 Cb -0.15 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 2o3o s LYS 97 CO 0.05 0.48 -0.10 0.08 -0.92 0.00 0.00 175.35 174.93 2o3o s VAL 98 N -1.80 2.19 -0.30 3.17 1.01 -1.26 -4.92 120.40 118.49 2o3o s VAL 98 Ca 0.32 -1.65 0.11 0.00 0.00 0.00 0.00 61.98 60.76 2o3o s VAL 98 Cb -0.10 -2.30 0.26 0.00 0.00 0.00 0.00 36.38 34.24 2o3o s VAL 98 CO 0.25 -0.04 1.19 0.35 0.00 0.00 0.00 175.10 176.85 2o3o n THR 99 N 4.43 1.49 -3.30 3.92 -2.24 -1.26 -0.11 114.28 117.22 2o3o n THR 99 Ca -0.14 -1.49 -0.07 0.00 -2.27 0.00 0.00 64.05 60.08 2o3o n THR 99 Cb 0.42 0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.75 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 -1.65 -0.02 0.41 3.42 0.15 -1.26 -4.64 113.70 110.11 2o3o s SER 100 Ca 0.23 0.08 -0.19 0.00 0.70 0.00 0.00 55.95 56.76 2o3o s SER 100 Cb 0.17 1.30 -0.10 0.00 -1.71 0.00 0.00 66.02 65.68 2o3o s SER 100 CO 0.07 -0.31 0.90 -0.76 1.20 0.00 0.00 173.24 174.33 2o3o s LEU 101 N 2.60 3.94 -0.00 3.45 1.43 -0.25 -4.91 118.68 124.94 2o3o s LEU 101 Ca 0.12 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.79 2o3o s LEU 101 Cb -0.14 -4.42 -0.00 0.00 0.03 0.00 0.00 46.19 41.66 2o3o s LEU 101 CO -0.22 -0.34 0.02 -0.75 0.23 0.00 0.00 176.35 175.29 2o3o s LYS 102 N -3.21 0.11 -0.28 1.70 2.20 -1.26 -1.81 119.74 117.19 2o3o s LYS 102 Ca 0.60 -0.11 -0.18 0.00 -0.36 0.00 0.00 55.97 55.92 2o3o s LYS 102 Cb -0.09 0.04 0.11 0.00 -1.51 0.00 0.00 37.83 36.38 2o3o s LYS 102 CO 0.16 -0.02 0.82 0.21 -0.36 0.00 0.00 175.35 176.16 2o3o s LYS 104 N -0.34 0.59 -0.03 4.03 2.20 0.17 0.14 119.74 126.51 2o3o s LYS 104 Ca -0.04 0.95 -0.30 0.00 -0.36 0.00 0.00 55.97 56.22 2o3o s LYS 104 Cb -0.03 0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.42 2o3o s LYS 104 CO -0.00 -0.11 1.19 -0.06 -0.36 0.00 0.00 175.35 176.00 2o3o s PHE 105 N 1.25 3.27 0.30 4.03 0.40 -1.06 0.03 117.98 126.19 2o3o s PHE 105 Ca -0.07 1.26 0.03 0.00 -0.60 0.00 0.00 56.93 57.55 2o3o s PHE 105 Cb -0.05 -3.40 0.75 0.00 0.51 0.00 0.00 43.02 40.83 2o3o s PHE 105 CO -0.14 -1.23 1.63 0.00 0.70 0.00 0.00 175.22 176.17 2o3o h ALA 106 N 7.29 1.31 -3.14 5.36 0.00 -1.73 -3.34 119.26 125.01 2o3o h ALA 106 Ca -0.36 0.24 -0.60 0.00 0.00 0.00 0.00 54.91 54.19 2o3o h ALA 106 Cb 1.17 0.36 -0.36 0.00 0.00 0.00 0.00 17.79 18.96 2o3o h ALA 106 CO 0.86 -0.51 -0.83 -0.80 0.00 0.00 0.00 179.25 177.96 2o3o s ASN 107 N -5.04 2.66 0.66 0.00 0.01 -1.26 -5.11 114.94 106.85 2o3o s ASN 107 Ca -0.12 -0.48 -0.17 0.00 -0.71 0.00 0.00 52.86 51.38 2o3o s ASN 107 Cb 0.27 -1.17 -0.04 0.00 0.41 0.00 0.00 41.25 40.72 2o3o s ASN 107 CO 0.77 -0.04 0.81 -0.81 -1.51 0.00 0.00 177.10 176.32 2o3o n PRO 108 N 4.66 0.60 -4.22 -0.60 -0.04 -1.26 -4.96 135.00 129.19 2o3o n PRO 108 Ca -0.17 0.25 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 2o3o n PRO 108 Cb 0.50 -2.04 -0.11 0.00 -0.04 0.00 0.00 33.50 31.81 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 -1.71 4.34 0.20 0.52 1.01 -0.63 -4.89 121.20 120.04 2o3o s ILE 109 Ca 0.72 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.87 2o3o s ILE 109 Cb -0.39 -2.92 -0.08 0.00 0.01 0.00 0.00 42.46 39.08 2o3o s ILE 109 CO 0.51 0.49 1.24 0.00 0.00 0.00 0.00 174.94 177.17 2o3o s ALA 110 N 0.29 3.47 -0.05 9.38 0.00 -1.26 -1.71 121.76 131.88 2o3o s ALA 110 Ca 0.00 1.02 0.06 0.00 0.00 0.00 0.00 51.96 53.03 2o3o s ALA 110 Cb -0.13 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.54 2o3o s ALA 110 CO 0.02 -0.43 -0.23 -0.51 0.00 0.00 0.00 175.76 174.60 2o3o s LEU 111 N -0.33 2.03 0.83 0.00 1.43 -0.80 -4.95 118.68 116.89 2o3o s LEU 111 Ca 0.54 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 2o3o s LEU 111 Cb -0.34 -1.28 0.07 0.00 0.03 0.00 0.00 46.19 44.67 2o3o s LEU 111 CO 0.38 0.22 1.01 -1.20 0.23 0.00 0.00 176.35 177.00 2o3o n SER 112 N 3.00 0.30 -0.01 2.29 7.64 -1.26 -4.81 113.62 120.77 2o3o n SER 112 Ca -0.18 0.54 -0.00 0.00 1.01 0.00 0.00 58.87 60.24 2o3o n SER 112 Cb 0.52 -1.43 -0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2o3o n SER 112 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2o3o h LYS 113 N -1.02 -0.02 0.00 1.43 1.57 -1.97 -3.31 116.57 113.25 2o3o h LYS 113 Ca -0.45 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.24 2o3o h LYS 113 Cb 1.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 2o3o h LYS 113 CO 0.44 -0.01 -0.64 0.87 -0.57 0.00 0.00 179.45 179.54 2o3o h LYS 114 N -0.35 0.00 -1.53 3.15 1.57 -2.06 -3.34 116.57 114.01 2o3o h LYS 114 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2o3o h LYS 114 Cb 0.01 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 31.96 2o3o h LYS 114 CO 0.00 0.29 -0.05 -3.47 -0.57 0.00 0.00 179.45 175.65 2o3o n ASP 115 N -3.06 5.86 0.14 0.86 2.03 -1.26 -4.84 116.55 116.27 2o3o n ASP 115 Ca -0.00 -3.77 -0.24 0.00 0.52 0.00 0.00 54.79 51.30 2o3o n ASP 115 Cb 0.69 -0.68 -0.16 0.00 -0.72 0.00 0.00 41.12 40.26 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 2o3o h ILE 116 N 2.22 1.25 -0.80 5.18 2.10 -1.69 -2.84 117.51 122.93 2o3o h ILE 116 Ca 0.42 -2.70 -0.00 0.00 1.08 0.00 0.00 64.86 63.65 2o3o h ILE 116 Cb 0.71 3.00 -0.04 0.00 -1.09 0.00 0.00 36.82 39.40 2o3o h ILE 116 CO 1.08 0.82 0.48 -0.33 -1.08 0.00 0.00 178.15 179.13 2o3o h GLU 117 N 0.14 1.09 -0.01 2.19 5.08 -1.90 0.80 114.58 121.96 2o3o h GLU 117 Ca -0.26 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2o3o h GLU 117 Cb 2.15 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.17 2o3o h GLU 117 CO 0.26 0.76 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.56 2o3o h ASP 118 N 1.11 0.05 0.15 1.42 5.19 -1.97 -2.42 116.42 119.94 2o3o h ASP 118 Ca 0.29 -0.59 -0.03 0.00 -0.62 0.00 0.00 57.03 56.09 2o3o h ASP 118 Cb -0.05 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 2o3o h ASP 118 CO -0.05 0.63 -0.12 0.44 -3.12 0.00 0.00 179.24 177.01 2o3o h ASP 119 N -0.53 0.00 -0.60 6.45 5.19 -1.31 -0.06 116.42 125.56 2o3o h ASP 119 Ca -0.00 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.32 2o3o h ASP 119 Cb 0.62 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 2o3o h ASP 119 CO 0.01 0.12 0.01 0.00 -3.12 0.00 0.00 179.24 176.26 2o3o h ALA 120 N 1.88 0.81 -0.34 3.45 0.00 -0.84 -2.89 119.26 121.33 2o3o h ALA 120 Ca -0.00 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 2o3o h ALA 120 Cb 0.23 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2o3o h ALA 120 CO 0.02 0.64 0.00 1.96 0.00 0.00 0.00 179.25 181.87 2o3o h GLN 121 N 0.95 0.60 -0.66 0.00 4.20 -0.52 -2.58 115.11 117.11 2o3o h GLN 121 Ca 0.17 -0.19 0.05 0.00 0.06 0.00 0.00 58.65 58.74 2o3o h GLN 121 Cb 0.55 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.23 2o3o h GLN 121 CO 0.03 0.72 0.43 0.00 -0.67 0.00 0.00 178.83 179.34 2o3o h ALA 122 N 0.86 1.69 -0.17 3.87 0.00 -1.37 0.78 119.26 124.93 2o3o h ALA 122 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2o3o h ALA 122 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2o3o h ALA 122 CO 0.02 0.22 0.04 1.25 0.00 0.00 0.00 179.25 180.78 2o3o h LEU 123 N 0.73 0.25 -0.09 0.00 5.85 -1.28 -1.39 115.31 119.37 2o3o h LEU 123 Ca 0.27 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 2o3o h LEU 123 Cb 0.16 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2o3o h LEU 123 CO -0.08 0.41 -0.01 0.58 -0.34 0.00 0.00 178.44 179.00 2o3o h VAL 124 N 0.08 1.26 0.00 1.05 2.07 -1.04 -1.14 116.25 118.54 2o3o h VAL 124 Ca 0.05 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.65 2o3o h VAL 124 Cb 0.25 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 2o3o h VAL 124 CO -0.00 0.24 -0.37 0.28 0.02 0.00 0.00 177.57 177.74 2o3o h SER 125 N -0.13 0.00 0.30 0.57 0.02 -0.87 -2.17 113.55 111.28 2o3o h SER 125 Ca 0.03 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.74 2o3o h SER 125 Cb 0.37 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.87 2o3o h SER 125 CO 0.01 0.37 -1.92 -1.54 -1.14 0.00 0.00 176.83 172.61 2o3o n SER 126 N -4.05 0.41 -0.04 3.07 3.41 -0.53 -4.54 113.62 111.35 2o3o n SER 126 Ca -0.02 0.19 0.02 0.00 -0.26 0.00 0.00 58.87 58.80 2o3o n SER 126 Cb 0.41 0.71 -0.01 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.77 4.09 -4.94 4.33 5.02 -0.43 -5.01 118.16 118.45 2o3o n LYS 127 Ca -0.19 -0.20 -0.33 0.00 -2.02 0.00 0.00 58.31 55.57 2o3o n LYS 127 Cb 0.96 -0.78 -0.15 0.00 -0.02 0.00 0.00 35.03 35.03 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 -1.06 2.71 -0.17 -0.18 1.01 -0.82 -4.99 121.20 117.69 2o3o s ILE 128 Ca 0.02 -0.79 -0.42 0.00 0.00 0.00 0.00 60.65 59.45 2o3o s ILE 128 Cb 0.03 -2.10 -0.20 0.00 0.01 0.00 0.00 42.46 40.20 2o3o s ILE 128 CO 0.12 0.54 1.26 1.67 0.00 0.00 0.00 174.94 178.53 2o3o n GLN 129 N 3.37 0.02 -1.49 2.79 7.27 -1.26 -0.15 117.38 127.93 2o3o n GLN 129 Ca -0.18 0.01 -0.17 0.00 0.07 0.00 0.00 57.00 56.72 2o3o n GLN 129 Cb 0.53 -1.51 -0.07 0.00 2.41 0.00 0.00 30.24 31.59 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 2.40 -4.95 -0.36 1.69 10.43 -1.26 -4.84 116.55 119.66 2o3o n ASP 130 Ca 0.24 0.43 0.27 0.00 2.57 0.00 0.00 54.79 58.29 2o3o n ASP 130 Cb 0.03 -4.29 0.52 0.00 1.84 0.00 0.00 41.12 39.22 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 1.79 2.00 0.44 0.00 -0.70 0.34 103.07 106.94 2o3o h GLY 131 Ca -0.35 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2o3o h GLY 131 CO 0.51 -0.43 -0.14 1.05 0.00 0.00 0.00 176.54 177.53 2o3o h GLU 132 N 0.28 0.00 0.00 4.80 9.09 -1.83 -1.80 114.58 125.12 2o3o h GLU 132 Ca 0.74 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.15 2o3o h GLU 132 Cb 1.85 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.95 2o3o h GLU 132 CO -0.53 0.14 0.00 1.63 0.05 0.00 0.00 179.01 180.31 2o3o n LYS 133 N -3.44 0.08 -4.05 1.06 5.02 0.12 -4.79 118.16 112.16 2o3o n LYS 133 Ca -0.01 0.29 -0.29 0.00 -2.02 0.00 0.00 58.31 56.28 2o3o n LYS 133 Cb 0.32 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 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 -3.11 3.19 -0.04 2.13 1.51 -0.68 -1.03 117.35 119.32 2o3o s TYR 134 Ca 0.07 0.06 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 2o3o s TYR 134 Cb 0.10 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.35 2o3o s TYR 134 CO 0.34 0.52 -0.19 0.21 -1.11 0.00 0.00 175.55 175.32 2o3o s LYS 135 N -2.59 1.84 0.27 -0.62 2.20 0.11 -4.94 119.74 116.01 2o3o s LYS 135 Ca 0.30 -0.66 -0.29 0.00 -0.36 0.00 0.00 55.97 54.95 2o3o s LYS 135 Cb -0.12 -1.62 -0.14 0.00 -1.51 0.00 0.00 37.83 34.44 2o3o s LYS 135 CO 0.23 0.29 1.15 -0.11 -0.36 0.00 0.00 175.35 176.55 2o3o n LEU 136 N 3.02 2.24 -0.07 5.43 7.94 -1.26 -1.17 117.00 133.12 2o3o n LEU 136 Ca -0.17 1.17 -0.16 0.00 -1.11 0.00 0.00 56.01 55.74 2o3o n LEU 136 Cb 0.53 -1.33 -0.05 0.00 0.53 0.00 0.00 43.42 43.10 2o3o n LEU 136 CO 0.25 -1.09 -1.01 1.87 -1.11 0.00 0.00 177.39 176.30 2o3o n TRP 137 N 0.75 0.00 -3.61 1.96 -0.00 0.11 -4.76 117.44 111.88 2o3o n TRP 137 Ca 0.10 0.00 -0.03 0.00 -0.00 0.00 0.00 57.50 57.57 2o3o n TRP 137 Cb 0.31 -0.53 -0.06 0.00 -0.00 0.00 0.00 31.31 31.03 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 -2.27 0.46 -0.13 5.87 2.20 -1.08 -5.02 119.74 119.77 2o3o s LYS 138 Ca -0.21 0.85 -0.18 0.00 -0.36 0.00 0.00 55.97 56.07 2o3o s LYS 138 Cb 0.08 0.18 -0.04 0.00 -1.51 0.00 0.00 37.83 36.54 2o3o s LYS 138 CO 0.26 -0.11 0.47 0.08 -0.36 0.00 0.00 175.35 175.70 2o3o s VAL 139 N 1.63 5.19 -0.26 4.02 1.01 -1.26 -1.34 120.40 129.38 2o3o s VAL 139 Ca -0.08 0.93 0.02 0.00 0.00 0.00 0.00 61.98 62.85 2o3o s VAL 139 Cb -0.05 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.59 2o3o s VAL 139 CO -0.17 0.31 -0.06 -0.62 0.00 0.00 0.00 175.10 174.56 2o3o s ASP 140 N 0.69 4.30 0.10 3.32 -1.08 -0.51 -4.99 116.67 118.51 2o3o s ASP 140 Ca 0.25 -1.44 -0.12 0.00 -0.52 0.00 0.00 52.55 50.72 2o3o s ASP 140 Cb -0.15 -1.43 -0.16 0.00 -1.46 0.00 0.00 42.92 39.72 2o3o s ASP 140 CO 0.10 -0.24 1.28 0.11 0.52 0.00 0.00 175.17 176.94 2o3o h LYS 141 N 7.81 0.72 -0.12 4.34 1.57 -1.96 -1.92 116.57 127.01 2o3o h LYS 141 Ca -0.16 -0.65 -0.01 0.00 -1.87 0.00 0.00 60.65 57.96 2o3o h LYS 141 Cb 1.05 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.51 2o3o h LYS 141 CO 0.45 1.25 0.05 0.66 -0.57 0.00 0.00 179.45 181.29 2o3o h SER 142 N 0.46 0.16 0.70 0.86 4.64 -1.95 -2.33 113.55 116.10 2o3o h SER 142 Ca -0.08 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2o3o h SER 142 Cb 1.50 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.55 2o3o h SER 142 CO 0.17 0.27 -0.01 0.29 -0.87 0.00 0.00 176.83 176.68 2o3o n LYS 143 N -4.91 0.30 -3.77 4.77 5.02 -1.25 -4.94 118.16 113.38 2o3o n LYS 143 Ca -0.05 -0.01 -0.24 0.00 -2.02 0.00 0.00 58.31 55.99 2o3o n LYS 143 Cb 0.11 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.34 -5.09 -3.94 1.97 5.02 -0.88 -4.92 118.16 108.98 2o3o n LYS 144 Ca 0.12 0.61 -0.10 0.00 -2.02 0.00 0.00 58.31 56.92 2o3o n LYS 144 Cb 0.28 -5.26 -0.11 0.00 -0.02 0.00 0.00 35.03 29.92 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 -6.18 0.35 -0.13 1.97 -1.05 -0.77 -1.51 118.70 111.38 2o3o s GLU 145 Ca 0.20 -0.50 -0.02 0.00 -0.15 0.00 0.00 54.97 54.49 2o3o s GLU 145 Cb -0.10 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.70 2o3o s GLU 145 CO 0.82 -0.07 -0.06 0.42 0.95 0.00 0.00 175.26 177.33 2o3o s ILE 146 N -1.34 3.76 -0.08 1.83 1.01 -0.57 -1.42 121.20 124.38 2o3o s ILE 146 Ca -0.15 -0.42 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2o3o s ILE 146 Cb -0.09 -2.61 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 2o3o s ILE 146 CO -0.00 0.53 -0.16 -0.63 0.00 0.00 0.00 174.94 174.68 2o3o s ILE 147 N 0.02 2.88 -0.04 2.92 1.01 -0.45 -0.95 121.20 126.60 2o3o s ILE 147 Ca -0.00 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.95 2o3o s ILE 147 Cb -0.13 -2.15 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 2o3o s ILE 147 CO 0.03 0.56 -0.23 -0.36 0.00 0.00 0.00 174.94 174.94 2o3o s PHE 148 N -0.21 2.17 -0.03 3.97 0.40 0.43 0.05 117.98 124.77 2o3o s PHE 148 Ca -0.00 -0.53 -0.00 0.00 -0.60 0.00 0.00 56.93 55.80 2o3o s PHE 148 Cb -0.13 -1.41 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 2o3o s PHE 148 CO 0.03 -0.12 0.03 -0.06 0.70 0.00 0.00 175.22 175.80 2o3o s PHE 149 N -0.33 3.18 0.62 0.36 0.08 -0.32 -1.91 117.98 119.65 2o3o s PHE 149 Ca 0.03 0.16 -0.16 0.00 0.12 0.00 0.00 56.93 57.08 2o3o s PHE 149 Cb -0.11 -1.73 -0.02 0.00 -0.57 0.00 0.00 43.02 40.59 2o3o s PHE 149 CO 0.01 0.50 1.09 -1.14 -0.10 0.00 0.00 175.22 175.58 2o3o s GLN 150 N -1.43 3.08 0.29 0.44 0.74 -0.46 0.05 119.66 122.37 2o3o s GLN 150 Ca 0.19 1.33 0.09 0.00 0.05 0.00 0.00 55.36 57.02 2o3o s GLN 150 Cb -0.12 -1.99 -0.06 0.00 1.10 0.00 0.00 33.01 31.95 2o3o s GLN 150 CO 0.09 -1.02 -0.12 0.95 -0.55 0.00 0.00 175.29 174.64 2o3o s THR 151 N -2.33 2.06 -0.04 -0.34 -4.23 -0.20 -1.63 115.64 108.93 2o3o s THR 151 Ca 0.66 -2.24 -0.00 0.00 -1.18 0.00 0.00 61.69 58.93 2o3o s THR 151 Cb -0.19 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.27 2o3o s THR 151 CO 0.38 -0.34 0.00 -0.47 -0.54 0.00 0.00 174.62 173.65 2o3o s TYR 152 N -2.75 0.39 -1.36 3.99 5.04 0.55 -4.86 117.35 118.36 2o3o s TYR 152 Ca 0.29 -0.02 -0.13 0.00 -2.44 0.00 0.00 57.07 54.78 2o3o s TYR 152 Cb 0.00 -0.53 0.11 0.00 0.35 0.00 0.00 41.96 41.90 2o3o s TYR 152 CO 0.13 -0.19 0.54 0.39 -1.34 0.00 0.00 175.55 175.09 2o3o n GLU 153 N 4.51 -2.97 -0.46 4.97 1.02 -1.26 -1.00 120.64 125.45 2o3o n GLU 153 Ca -0.19 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2o3o n GLU 153 Cb 0.50 -5.04 0.00 0.00 -0.02 0.00 0.00 31.44 26.88 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 -1.16 0.73 3.47 0.62 0.00 -1.26 -5.05 105.19 102.54 2o3o n GLY 154 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.87 2.41 0.46 1.61 3.76 -0.17 -5.08 115.29 115.40 2o3o s HIS 155 Ca 0.00 -0.31 -0.24 0.00 -0.15 0.00 0.00 55.06 54.36 2o3o s HIS 155 Cb 0.00 -1.21 -0.07 0.00 1.11 0.00 0.00 32.58 32.41 2o3o s HIS 155 CO 0.00 0.48 1.24 0.71 -0.85 0.00 0.00 174.74 176.33 2o3o s TYR 156 N -1.59 2.75 -0.71 1.40 4.12 -1.26 -0.33 117.35 121.73 2o3o s TYR 156 Ca 0.21 1.47 -0.18 0.00 0.02 0.00 0.00 57.07 58.59 2o3o s TYR 156 Cb -0.09 -3.55 0.13 0.00 -1.52 0.00 0.00 41.96 36.93 2o3o s TYR 156 CO 0.11 -1.95 0.83 0.42 0.02 0.00 0.00 175.55 174.98 2o3o s ILE 157 N -1.41 4.89 0.23 2.71 1.01 -0.65 -1.12 121.20 126.86 2o3o s ILE 157 Ca 0.63 -1.32 -0.30 0.00 0.00 0.00 0.00 60.65 59.66 2o3o s ILE 157 Cb -0.34 -4.57 -0.09 0.00 0.01 0.00 0.00 42.46 37.48 2o3o s ILE 157 CO 0.42 -1.22 1.23 -0.31 0.00 0.00 0.00 174.94 175.05 2o3o s TYR 158 N 2.38 3.35 0.20 3.97 1.51 0.19 -4.63 117.35 124.33 2o3o s TYR 158 Ca 0.18 1.41 -0.16 0.00 -1.01 0.00 0.00 57.07 57.49 2o3o s TYR 158 Cb -0.17 -3.49 0.02 0.00 -0.11 0.00 0.00 41.96 38.21 2o3o s TYR 158 CO 0.01 -1.38 0.51 1.14 -1.11 0.00 0.00 175.55 174.71 2o3o s GLN 159 N -0.63 1.40 0.37 -0.62 -2.07 -1.26 -4.48 119.66 112.36 2o3o s GLN 159 Ca 0.52 -0.94 -0.24 0.00 -1.82 0.00 0.00 55.36 52.88 2o3o s GLN 159 Cb -0.35 0.51 -0.10 0.00 -1.09 0.00 0.00 33.01 31.98 2o3o s GLN 159 CO 0.40 -0.59 0.95 0.15 -1.32 0.00 0.00 175.29 174.89 2o3o s LYS 160 N -3.90 4.43 -0.03 9.60 1.02 -1.26 -4.98 119.74 124.63 2o3o s LYS 160 Ca 0.11 1.27 0.15 0.00 0.02 0.00 0.00 55.97 57.52 2o3o s LYS 160 Cb -0.01 -2.56 0.44 0.00 -0.52 0.00 0.00 37.83 35.18 2o3o s LYS 160 CO -0.01 0.14 1.37 0.25 -0.92 0.00 0.00 175.35 176.19 2o3o n THR 161 N 0.09 1.19 0.03 2.17 -2.24 -1.26 -4.67 114.28 109.60 2o3o n THR 161 Ca 0.04 -1.10 -0.02 0.00 -2.27 0.00 0.00 64.05 60.70 2o3o n THR 161 Cb 0.51 0.40 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 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 2.73 -0.13 -1.94 3.42 5.19 -1.96 -3.48 116.42 120.24 2o3o h ASP 162 Ca 0.00 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.80 2o3o h ASP 162 Cb 0.92 0.03 -0.13 0.00 0.18 0.00 0.00 39.33 40.34 2o3o h ASP 162 CO 0.04 0.20 -0.67 0.54 -3.12 0.00 0.00 179.24 176.23 2o3o s ASN 163 N -4.56 3.82 0.32 6.45 6.03 -1.26 -5.03 114.94 120.70 2o3o s ASN 163 Ca -0.02 -1.15 0.26 0.00 -1.03 0.00 0.00 52.86 50.91 2o3o s ASN 163 Cb 0.00 -0.38 1.04 0.00 -3.03 0.00 0.00 41.25 38.88 2o3o s ASN 163 CO 0.07 -0.20 1.77 -0.65 -2.03 0.00 0.00 177.10 176.06 2o3o h PRO 164 N 1.99 0.00 0.49 3.55 0.11 -1.96 -3.30 132.00 132.88 2o3o h PRO 164 Ca -0.42 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 2o3o h PRO 164 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2o3o h PRO 164 CO 0.69 0.00 -0.34 0.77 -0.21 0.00 0.00 178.00 178.91 2o3o h SER 165 N 0.00 -0.87 -3.05 -2.05 0.02 -1.98 -3.45 113.55 102.17 2o3o h SER 165 Ca 0.00 0.06 -0.69 0.00 -0.84 0.00 0.00 61.79 60.32 2o3o h SER 165 Cb 0.43 0.27 -0.19 0.00 0.14 0.00 0.00 62.40 63.05 2o3o h SER 165 CO 0.00 -0.52 0.12 0.20 -1.14 0.00 0.00 176.83 175.49 2o3o s ASN 166 N -4.51 6.20 0.00 3.07 0.01 -1.24 -5.12 114.94 113.35 2o3o s ASN 166 Ca -0.17 -1.16 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 2o3o s ASN 166 Cb 0.05 -2.31 0.00 0.00 0.41 0.00 0.00 41.25 39.40 2o3o s ASN 166 CO 0.63 -1.04 0.00 2.30 -1.51 0.00 0.00 177.10 177.48 2o3o n ILE 168 N 5.61 0.00 -2.76 0.60 -5.35 -1.26 -4.35 119.36 111.86 2o3o n ILE 168 Ca -0.08 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.35 2o3o n ILE 168 Cb 0.44 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.36 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 -0.46 3.17 3.28 0.00 -1.26 -4.08 105.19 105.84 2o3o n GLY 169 Ca 0.00 0.41 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 0.83 0.93 -0.06 1.61 -0.21 -1.13 -1.36 119.66 120.27 2o3o s GLN 170 Ca 0.30 -1.38 0.03 0.00 0.02 0.00 0.00 55.36 54.33 2o3o s GLN 170 Cb 0.06 0.26 0.01 0.00 1.00 0.00 0.00 33.01 34.33 2o3o s GLN 170 CO -0.10 -0.27 -0.14 0.08 -2.12 0.00 0.00 175.29 172.75 2o3o s VAL 171 N -4.02 1.24 -0.13 1.09 1.01 -0.81 -1.31 120.40 117.47 2o3o s VAL 171 Ca 0.21 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2o3o s VAL 171 Cb 0.07 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.36 2o3o s VAL 171 CO 0.00 0.37 -0.13 -0.69 0.00 0.00 0.00 175.10 174.66 2o3o s VAL 172 N 0.47 1.43 -0.02 2.92 1.01 0.21 -0.43 120.40 125.99 2o3o s VAL 172 Ca -0.12 -0.55 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 2o3o s VAL 172 Cb -0.15 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2o3o s VAL 172 CO 0.04 0.43 0.47 -0.76 0.00 0.00 0.00 175.10 175.28 2o3o s LEU 173 N 1.46 4.42 -0.10 3.92 1.43 -0.12 -1.04 118.68 128.65 2o3o s LEU 173 Ca 0.03 0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 54.10 2o3o s LEU 173 Cb -0.13 -2.69 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2o3o s LEU 173 CO -0.09 0.20 -0.06 -1.00 0.23 0.00 0.00 176.35 175.64 2o3o s HIS 174 N -0.49 2.97 0.05 0.29 3.76 -0.36 -1.52 115.29 119.99 2o3o s HIS 174 Ca 0.26 -0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.14 2o3o s HIS 174 Cb -0.17 -1.80 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 2o3o s HIS 174 CO 0.14 0.20 -0.21 -0.51 -0.85 0.00 0.00 174.74 173.51 2o3o s LEU 175 N -0.40 2.17 -0.04 0.89 1.43 -0.57 -0.41 118.68 121.75 2o3o s LEU 175 Ca 0.06 -0.53 0.05 0.00 -1.03 0.00 0.00 54.13 52.68 2o3o s LEU 175 Cb -0.12 -0.97 -0.02 0.00 0.03 0.00 0.00 46.19 45.11 2o3o s LEU 175 CO 0.02 0.15 -0.18 0.21 0.23 0.00 0.00 176.35 176.79 2o3o s ASN 176 N -1.21 3.76 1.25 2.29 2.47 -1.07 -4.84 114.94 117.59 2o3o s ASN 176 Ca 0.07 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.08 2o3o s ASN 176 Cb -0.09 -0.71 0.00 0.00 -1.45 0.00 0.00 41.25 39.00 2o3o s ASN 176 CO 0.02 0.34 0.00 0.61 -3.72 0.00 0.00 177.10 174.35 2o3o n GLY 177 N 2.34 1.57 3.37 1.21 0.00 -1.26 -3.93 105.19 108.49 2o3o n GLY 177 Ca -0.17 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.33 2o3o n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2o3o s LYS 178 N 0.00 3.04 0.00 1.61 1.02 -1.26 -4.87 119.74 119.28 2o3o s LYS 178 Ca 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.64 2o3o s LYS 178 Cb 0.00 -4.25 0.00 0.00 -0.52 0.00 0.00 37.83 33.06 2o3o s LYS 178 CO 0.00 -1.45 0.00 0.09 -0.92 0.00 0.00 175.35 173.07 2o3o n ASN 179 N 6.08 0.00 -3.69 2.83 3.02 -1.26 -4.87 115.26 117.37 2o3o n ASN 179 Ca -0.10 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.28 2o3o n ASN 179 Cb 0.42 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.77 -0.00 -0.31 3.52 2.02 -1.25 -1.90 118.70 120.00 2o3o s GLU 180 Ca 0.00 0.45 -0.29 0.00 0.02 0.00 0.00 54.97 55.15 2o3o s GLU 180 Cb 0.00 -0.33 0.01 0.00 0.10 0.00 0.00 34.13 33.91 2o3o s GLU 180 CO 0.00 -0.29 1.23 0.08 0.02 0.00 0.00 175.26 176.30 2o3o s VAL 181 N 2.02 4.25 -0.13 2.63 1.01 -0.69 -2.60 120.40 126.88 2o3o s VAL 181 Ca 0.01 1.41 0.18 0.00 0.00 0.00 0.00 61.98 63.59 2o3o s VAL 181 Cb -0.12 -4.26 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 2o3o s VAL 181 CO -0.05 -0.51 0.39 0.52 0.00 0.00 0.00 175.10 175.45 2o3o n VAL 182 N 6.14 1.01 -3.83 2.92 0.31 0.45 -1.60 118.33 123.74 2o3o n VAL 182 Ca 0.14 -0.73 -0.08 0.00 -0.01 0.00 0.00 64.34 63.66 2o3o n VAL 182 Cb 0.47 -0.44 0.01 0.00 -0.91 0.00 0.00 33.84 32.96 2o3o n VAL 182 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2o3o s SER 183 N -5.35 -0.09 0.01 4.52 1.04 -1.23 -2.56 113.70 110.05 2o3o s SER 183 Ca -0.08 -0.95 -0.16 0.00 0.48 0.00 0.00 55.95 55.24 2o3o s SER 183 Cb 0.09 0.81 0.03 0.00 0.10 0.00 0.00 66.02 67.04 2o3o s SER 183 CO 0.85 -1.56 0.35 -0.72 0.98 0.00 0.00 173.24 173.13 2o3o s TYR 184 N -2.89 -0.21 0.03 5.02 -0.85 -1.26 -1.22 117.35 115.96 2o3o s TYR 184 Ca 0.14 0.24 -0.00 0.00 -0.52 0.00 0.00 57.07 56.92 2o3o s TYR 184 Cb -0.05 0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 2o3o s TYR 184 CO 0.10 -0.47 0.13 -0.51 -1.52 0.00 0.00 175.55 173.28 2o3o s ASP 185 N -1.64 5.92 -0.04 -0.18 1.01 -0.20 -4.13 116.67 117.40 2o3o s ASP 185 Ca -0.10 0.18 -0.08 0.00 0.71 0.00 0.00 52.55 53.26 2o3o s ASP 185 Cb -0.03 -1.74 0.01 0.00 1.01 0.00 0.00 42.92 42.18 2o3o s ASP 185 CO 0.01 0.23 0.19 -1.58 0.21 0.00 0.00 175.17 174.23 2o3o s GLN 186 N -2.08 0.36 0.02 8.23 0.74 -0.75 -0.62 119.66 125.55 2o3o s GLN 186 Ca 0.28 0.01 -0.03 0.00 0.05 0.00 0.00 55.36 55.66 2o3o s GLN 186 Cb -0.12 0.16 -0.01 0.00 1.10 0.00 0.00 33.01 34.14 2o3o s GLN 186 CO 0.19 -0.07 0.05 0.95 -0.55 0.00 0.00 175.29 175.86 2o3o s THR 187 N -0.52 0.11 -0.00 -0.34 -4.23 -0.43 -1.09 115.64 109.14 2o3o s THR 187 Ca -0.06 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 2o3o s THR 187 Cb -0.04 -0.42 -0.00 0.00 1.34 0.00 0.00 72.50 73.38 2o3o s THR 187 CO 0.01 -0.48 -0.03 -0.89 -0.54 0.00 0.00 174.62 172.70 2o3o s THR 188 N -1.61 0.20 0.07 3.99 2.01 -1.26 -2.84 115.64 116.20 2o3o s THR 188 Ca -0.14 -0.11 -0.09 0.00 0.31 0.00 0.00 61.69 61.67 2o3o s THR 188 Cb -0.08 -0.18 -0.06 0.00 0.01 0.00 0.00 72.50 72.20 2o3o s THR 188 CO -0.01 0.06 0.37 -0.76 -0.69 0.00 0.00 174.62 173.60 2o3o s LEU 189 N -0.04 4.35 0.23 4.42 1.43 -1.26 -0.74 118.68 127.07 2o3o s LEU 189 Ca 0.01 0.73 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 2o3o s LEU 189 Cb -0.01 -2.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.22 2o3o s LEU 189 CO -0.00 0.18 0.11 -1.83 0.23 0.00 0.00 176.35 175.04 2o3o s GLU 190 N -1.93 1.31 -0.86 1.70 -1.05 -0.08 -4.87 118.70 112.92 2o3o s GLU 190 Ca 0.32 -1.70 -0.05 0.00 -0.15 0.00 0.00 54.97 53.40 2o3o s GLU 190 Cb -0.14 -0.01 -0.00 0.00 -0.44 0.00 0.00 34.13 33.54 2o3o s GLU 190 CO 0.18 -0.34 0.69 2.41 0.95 0.00 0.00 175.26 179.16 2o3o n THR 191 N -0.37 -6.91 -2.60 1.83 -1.04 -1.26 -1.04 114.28 102.89 2o3o n THR 191 Ca 0.01 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.26 2o3o n THR 191 Cb 0.66 -5.01 -0.04 0.00 -1.82 0.00 0.00 70.33 64.12 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 -3.11 3.67 -0.01 -1.42 0.40 -1.26 -4.01 117.98 112.24 2o3o s PHE 192 Ca 0.12 1.66 0.06 0.00 -0.60 0.00 0.00 56.93 58.17 2o3o s PHE 192 Cb -0.04 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 2o3o s PHE 192 CO 0.82 -0.31 -0.20 0.15 0.70 0.00 0.00 175.22 176.38 2o3o s LYS 193 N -0.03 1.56 -0.26 0.44 3.01 -0.71 -4.97 119.74 118.78 2o3o s LYS 193 Ca 0.49 -0.73 -0.22 0.00 -1.01 0.00 0.00 55.97 54.51 2o3o s LYS 193 Cb -0.27 -1.53 -0.01 0.00 -1.01 0.00 0.00 37.83 35.02 2o3o s LYS 193 CO 0.32 0.42 0.72 -0.65 0.51 0.00 0.00 175.35 176.66 2o3o s GLN 194 N -0.54 4.10 -0.13 1.68 -0.21 -1.26 -1.42 119.66 121.86 2o3o s GLN 194 Ca 0.07 0.66 0.18 0.00 0.02 0.00 0.00 55.36 56.30 2o3o s GLN 194 Cb -0.08 -3.67 -0.27 0.00 1.00 0.00 0.00 33.01 30.00 2o3o s GLN 194 CO -0.00 -0.50 0.20 0.44 -2.12 0.00 0.00 175.29 173.31 2o3o n ILE 195 N 5.28 0.87 -3.27 1.08 -5.35 -0.63 -4.94 119.36 112.40 2o3o n ILE 195 Ca 0.02 -0.70 0.03 0.00 -0.27 0.00 0.00 62.75 61.83 2o3o n ILE 195 Cb 0.48 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 38.05 2o3o n ILE 195 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 2o3o s GLN 196 N -2.80 0.42 0.39 6.28 0.74 -1.24 -5.02 119.66 118.42 2o3o s GLN 196 Ca -0.09 0.85 -0.24 0.00 0.05 0.00 0.00 55.36 55.93 2o3o s GLN 196 Cb 0.08 0.49 -0.09 0.00 1.10 0.00 0.00 33.01 34.59 2o3o s GLN 196 CO 0.81 -0.36 1.05 -1.59 -0.55 0.00 0.00 175.29 174.66 2o3o s LYS 197 N 2.82 4.20 0.15 1.67 -2.85 -1.26 -2.60 119.74 121.87 2o3o s LYS 197 Ca 0.07 1.54 -0.16 0.00 -1.00 0.00 0.00 55.97 56.42 2o3o s LYS 197 Cb -0.12 -2.60 0.03 0.00 -2.06 0.00 0.00 37.83 33.09 2o3o s LYS 197 CO -0.17 -0.11 0.43 -1.21 0.10 0.00 0.00 175.35 174.38 2o3o s GLU 198 N -2.41 1.17 0.12 1.78 2.02 -0.47 -4.95 118.70 115.97 2o3o s GLU 198 Ca 0.57 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 54.46 2o3o s GLU 198 Cb -0.23 0.48 -0.06 0.00 0.10 0.00 0.00 34.13 34.42 2o3o s GLU 198 CO 0.29 -0.47 1.00 0.45 0.02 0.00 0.00 175.26 176.55 2o3o s SER 199 N -2.84 7.43 0.36 -0.19 0.15 -1.26 -0.20 113.70 117.15 2o3o s SER 199 Ca 0.06 1.87 0.05 0.00 0.70 0.00 0.00 55.95 58.63 2o3o s SER 199 Cb 0.01 -2.59 -0.01 0.00 -1.71 0.00 0.00 66.02 61.72 2o3o s SER 199 CO -0.08 -0.12 0.52 -0.76 1.20 0.00 0.00 173.24 174.00 2o3o s LEU 200 N -0.04 3.90 0.49 3.45 1.43 0.19 -3.06 118.68 125.04 2o3o s LEU 200 Ca 0.48 -0.05 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 2o3o s LEU 200 Cb -0.25 -2.87 -0.07 0.00 0.03 0.00 0.00 46.19 43.04 2o3o s LEU 200 CO 0.31 -0.49 0.91 0.27 0.23 0.00 0.00 176.35 177.58 2o3o s ILE 201 N -2.27 4.66 0.68 -0.59 -4.36 -0.71 -4.13 121.20 114.48 2o3o s ILE 201 Ca 0.45 0.91 -0.11 0.00 -0.26 0.00 0.00 60.65 61.64 2o3o s ILE 201 Cb -0.10 -3.76 -0.01 0.00 1.25 0.00 0.00 42.46 39.85 2o3o s ILE 201 CO 0.33 -0.72 1.07 0.42 0.24 0.00 0.00 174.94 176.28 2o3o s THR 202 N -2.64 3.94 -0.26 8.37 -4.23 -1.26 -4.79 115.64 114.77 2o3o s THR 202 Ca 0.55 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2o3o s THR 202 Cb -0.10 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2o3o s THR 202 CO 0.36 -0.82 0.00 -0.62 -0.54 0.00 0.00 174.62 172.99 2o3o n GLU 203 N -2.92 0.00 0.00 3.99 1.02 -1.17 -1.14 120.64 120.43 2o3o n GLU 203 Ca 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 2o3o n GLU 203 Cb 0.56 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.77 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 0.76 0.00 -0.08 1.62 8.00 -1.26 -2.10 116.55 123.50 2o3o n ASP 205 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 2o3o n ASP 205 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.14 -0.19 2.24 0.00 -1.46 0.26 119.26 120.26 2o3o h ALA 206 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2o3o h ALA 206 Cb 0.00 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2o3o h ALA 206 CO 0.00 -0.51 0.12 0.28 0.00 0.00 0.00 179.25 179.14 2o3o h VAL 207 N -0.06 1.06 -0.32 0.00 2.07 -1.71 -2.36 116.25 114.94 2o3o h VAL 207 Ca 0.15 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.62 2o3o h VAL 207 Cb 0.29 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2o3o h VAL 207 CO -0.34 0.06 0.23 -0.33 0.02 0.00 0.00 177.57 177.21 2o3o h GLU 208 N 0.24 0.00 -0.13 1.57 5.08 -1.65 -1.41 114.58 118.28 2o3o h GLU 208 Ca 0.07 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2o3o h GLU 208 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2o3o h GLU 208 CO -0.01 0.00 -0.07 1.25 -1.00 0.00 0.00 179.01 179.18 2o3o h LEU 209 N 0.00 0.28 -0.32 1.33 5.85 -0.44 -1.04 115.31 120.96 2o3o h LEU 209 Ca 0.15 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.52 2o3o h LEU 209 Cb 0.62 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2o3o h LEU 209 CO -0.00 0.64 -0.12 -0.07 -0.34 0.00 0.00 178.44 178.55 2o3o h LEU 210 N -0.08 -0.42 0.08 2.25 3.38 -1.02 -1.65 115.31 117.85 2o3o h LEU 210 Ca 0.03 0.11 0.01 0.00 0.09 0.00 0.00 57.88 58.12 2o3o h LEU 210 Cb 0.54 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2o3o h LEU 210 CO 0.02 -0.15 -0.13 0.22 0.09 0.00 0.00 178.44 178.49 2o3o h TYR 211 N -0.06 -0.34 -0.91 1.13 3.20 -1.30 -2.15 116.97 116.54 2o3o h TYR 211 Ca 0.16 0.01 0.23 0.00 3.14 0.00 0.00 58.73 62.27 2o3o h TYR 211 Cb 0.30 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 2o3o h TYR 211 CO -0.34 -0.20 0.62 -0.92 -1.64 0.00 0.00 178.16 175.69 2o3o h TYR 212 N -0.26 0.33 -0.52 -3.82 3.20 -0.61 0.13 116.97 115.42 2o3o h TYR 212 Ca 0.02 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2o3o h TYR 212 Cb 0.28 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2o3o h TYR 212 CO -0.15 0.07 0.00 1.04 -1.64 0.00 0.00 178.16 177.48 2o3o n GLN 213 N -4.42 3.79 -1.88 1.82 6.02 -0.67 -4.92 117.38 117.11 2o3o n GLN 213 Ca 0.19 -2.53 -0.11 0.00 -0.01 0.00 0.00 57.00 54.55 2o3o n GLN 213 Cb 0.82 -1.97 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 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 0.73 -3.84 0.01 1.08 5.15 0.45 -4.91 115.26 113.93 2o3o n ASN 214 Ca 0.23 0.09 0.11 0.00 -0.60 0.00 0.00 54.58 54.41 2o3o n ASN 214 Cb 0.91 -2.80 -0.03 0.00 -0.53 0.00 0.00 39.78 37.33 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 -2.28 0.17 -3.87 1.20 1.13 -1.02 -4.92 117.38 107.79 2o3o n GLN 215 Ca -0.12 -0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.54 2o3o n GLN 215 Cb 0.51 -1.53 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 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 -3.47 4.37 0.11 1.08 1.43 -1.26 -5.01 118.68 115.94 2o3o s LEU 216 Ca 0.05 0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 53.48 2o3o s LEU 216 Cb 0.15 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 44.24 2o3o s LEU 216 CO 0.83 0.39 0.47 -0.54 0.23 0.00 0.00 176.35 177.73 2o3o s LYS 217 N -0.93 3.87 0.71 1.70 1.02 -1.26 -5.03 119.74 119.82 2o3o s LYS 217 Ca 0.14 0.33 -0.16 0.00 0.02 0.00 0.00 55.97 56.30 2o3o s LYS 217 Cb -0.12 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2o3o s LYS 217 CO 0.04 0.52 0.89 0.39 -0.92 0.00 0.00 175.35 176.27 2o3o n GLU 218 N 0.86 0.52 -2.91 1.68 1.02 -1.26 -2.78 120.64 117.77 2o3o n GLU 218 Ca -0.07 0.23 -0.22 0.00 -0.02 0.00 0.00 57.16 57.08 2o3o n GLU 218 Cb 0.52 -2.15 0.03 0.00 -0.02 0.00 0.00 31.44 29.82 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 -2.39 -1.79 -3.91 -0.32 4.02 -0.65 -4.97 117.16 107.14 2o3o n TYR 219 Ca 0.13 0.42 -0.21 0.00 -0.01 0.00 0.00 57.90 58.23 2o3o n TYR 219 Cb 0.49 -4.38 -0.04 0.00 -0.02 0.00 0.00 39.34 35.39 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 -2.58 5.42 -0.09 7.72 1.04 -1.12 -4.58 113.70 119.51 2o3o s SER 220 Ca 0.25 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.32 2o3o s SER 220 Cb -0.11 -1.15 0.01 0.00 0.10 0.00 0.00 66.02 64.86 2o3o s SER 220 CO 0.31 -0.23 -0.18 -0.89 0.98 0.00 0.00 173.24 173.22 2o3o s THR 221 N -2.23 1.63 -0.40 2.02 2.01 -0.34 -1.59 115.64 116.74 2o3o s THR 221 Ca 0.38 -0.76 -0.25 0.00 0.31 0.00 0.00 61.69 61.37 2o3o s THR 221 Cb -0.07 -1.44 0.02 0.00 0.01 0.00 0.00 72.50 71.02 2o3o s THR 221 CO 0.26 0.46 0.89 -0.69 -0.69 0.00 0.00 174.62 174.86 2o3o s VAL 222 N 0.53 4.58 -0.13 3.82 1.01 0.51 -1.83 120.40 128.89 2o3o s VAL 222 Ca -0.16 0.96 -0.12 0.00 0.00 0.00 0.00 61.98 62.66 2o3o s VAL 222 Cb -0.17 -4.34 -0.25 0.00 0.00 0.00 0.00 36.38 31.62 2o3o s VAL 222 CO 0.06 -0.61 0.40 0.50 0.00 0.00 0.00 175.10 175.45 2o3o h LYS 223 N 8.68 0.22 -2.95 2.72 1.63 -0.75 -3.41 116.57 122.71 2o3o h LYS 223 Ca -0.24 -0.37 -0.08 0.00 -0.85 0.00 0.00 60.65 59.11 2o3o h LYS 223 Cb 1.08 0.14 -0.17 0.00 -0.60 0.00 0.00 32.23 32.68 2o3o h LYS 223 CO 0.98 1.18 -0.09 -1.54 -3.45 0.00 0.00 179.45 176.53 2o3o s SER 224 N -7.03 -0.31 -0.40 4.20 1.04 -1.14 -4.99 113.70 105.07 2o3o s SER 224 Ca -0.23 0.07 0.01 0.00 0.48 0.00 0.00 55.95 56.28 2o3o s SER 224 Cb 0.06 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.74 2o3o s SER 224 CO 0.74 -0.64 0.22 0.00 0.98 0.00 0.00 173.24 174.54 2o3o s LYS 226 N 0.64 3.50 -0.13 0.00 -0.14 -0.68 -4.89 119.74 118.04 2o3o s LYS 226 Ca 0.18 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.35 2o3o s LYS 226 Cb -0.24 -2.85 -0.02 0.00 -1.68 0.00 0.00 37.83 33.04 2o3o s LYS 226 CO 0.00 0.40 -0.10 0.12 -0.76 0.00 0.00 175.35 175.02 2o3o s PHE 227 N -1.89 2.88 0.00 3.18 2.19 -1.26 0.46 117.98 123.53 2o3o s PHE 227 Ca 0.37 -0.51 0.00 0.00 0.33 0.00 0.00 56.93 57.13 2o3o s PHE 227 Cb -0.11 -1.87 0.00 0.00 -1.31 0.00 0.00 43.02 39.73 2o3o s PHE 227 CO 0.29 -0.13 0.00 0.41 1.83 0.00 0.00 175.22 177.62 2o3o n GLY 228 N 3.45 3.23 3.21 13.12 0.00 -0.61 -4.49 105.19 123.10 2o3o n GLY 228 Ca -0.18 -0.56 -0.17 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.71 1.28 0.11 1.61 1.51 -0.28 -0.22 117.35 119.65 2o3o s TYR 229 Ca 0.00 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.56 2o3o s TYR 229 Cb 0.00 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 2o3o s TYR 229 CO 0.00 0.09 -0.12 0.14 -1.11 0.00 0.00 175.55 174.55 2o3o s VAL 230 N -1.96 1.14 0.11 0.71 -7.23 -0.80 0.55 120.40 112.92 2o3o s VAL 230 Ca 0.05 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.27 2o3o s VAL 230 Cb -0.06 -1.41 -0.07 0.00 0.56 0.00 0.00 36.38 35.40 2o3o s VAL 230 CO 0.02 -0.46 1.27 0.00 -0.31 0.00 0.00 175.10 175.62 2o3o s ALA 231 N -2.19 3.47 -0.10 1.32 0.00 -1.26 -1.60 121.76 121.40 2o3o s ALA 231 Ca 0.06 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 2o3o s ALA 231 Cb -0.04 -3.47 -0.27 0.00 0.00 0.00 0.00 23.12 19.33 2o3o s ALA 231 CO 0.02 -0.49 0.54 1.96 0.00 0.00 0.00 175.76 177.79 2o3o h GLN 232 N 6.43 0.25 0.00 0.00 4.20 -1.60 -3.48 115.11 120.91 2o3o h GLN 232 Ca -0.42 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 57.87 2o3o h GLN 232 Cb 1.21 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.15 2o3o h GLN 232 CO 0.81 1.20 0.00 2.48 -0.67 0.00 0.00 178.83 182.65 2o3o n TYR 233 N -3.89 0.00 -4.07 2.96 0.18 -1.26 -5.08 117.16 106.00 2o3o n TYR 233 Ca -0.26 0.00 -0.26 0.00 1.88 0.00 0.00 57.90 59.27 2o3o n TYR 233 Cb 0.91 0.00 -0.05 0.00 -0.38 0.00 0.00 39.34 39.82 2o3o n TYR 233 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2o3o s PRO 234 N -2.00 2.97 -0.40 -3.48 0.04 -1.26 -3.38 135.00 127.49 2o3o s PRO 234 Ca 0.00 -0.85 0.03 0.00 0.04 0.00 0.00 61.00 60.22 2o3o s PRO 234 Cb 0.00 -2.68 0.16 0.00 0.04 0.00 0.00 34.50 32.03 2o3o s PRO 234 CO 0.00 0.48 0.33 -0.51 0.04 0.00 0.00 177.00 177.34 2o3o s LEU 235 N -3.19 1.09 0.00 -3.56 1.43 -0.03 -5.01 118.68 109.40 2o3o s LEU 235 Ca 0.32 -2.71 0.00 0.00 -1.03 0.00 0.00 54.13 50.70 2o3o s LEU 235 Cb -0.10 -0.27 0.00 0.00 0.03 0.00 0.00 46.19 45.85 2o3o s LEU 235 CO 0.24 -0.20 0.00 0.41 0.23 0.00 0.00 176.35 177.03 2o3o n THR 236 N 3.22 0.00 0.37 5.49 -1.04 -1.26 -2.21 114.28 118.85 2o3o n THR 236 Ca 0.24 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.29 2o3o n THR 236 Cb 0.45 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.17 2o3o n THR 236 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2o3o n SER 237 N 2.09 0.00 -4.55 8.00 2.88 -1.26 -4.69 113.62 116.10 2o3o n SER 237 Ca 0.00 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.35 2o3o n SER 237 Cb 0.00 -0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 63.07 2o3o n SER 237 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2o3o s THR 238 N -2.65 4.87 -0.14 2.46 2.01 -0.94 -2.73 115.64 118.52 2o3o s THR 238 Ca 0.07 0.38 -0.16 0.00 0.31 0.00 0.00 61.69 62.29 2o3o s THR 238 Cb 0.06 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2o3o s THR 238 CO 0.13 -0.43 0.37 -1.10 -0.69 0.00 0.00 174.62 172.91 2o3o s GLN 239 N 2.75 4.29 -0.19 4.92 -1.52 -0.53 -0.85 119.66 128.52 2o3o s GLN 239 Ca 0.23 0.25 -0.13 0.00 -1.95 0.00 0.00 55.36 53.77 2o3o s GLN 239 Cb -0.14 -3.43 -0.05 0.00 -0.22 0.00 0.00 33.01 29.17 2o3o s GLN 239 CO 0.17 0.21 0.25 0.08 -0.25 0.00 0.00 175.29 175.74 2o3o s VAL 240 N 0.52 5.32 0.07 1.09 1.01 -1.22 -2.03 120.40 125.17 2o3o s VAL 240 Ca 0.21 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2o3o s VAL 240 Cb -0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2o3o s VAL 240 CO 0.07 0.37 -0.16 -0.76 0.00 0.00 0.00 175.10 174.62 2o3o s LEU 241 N 0.68 2.76 -0.01 3.92 1.43 0.37 -1.40 118.68 126.43 2o3o s LEU 241 Ca 0.13 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 2o3o s LEU 241 Cb -0.13 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.48 2o3o s LEU 241 CO 0.03 0.22 -0.10 0.00 0.23 0.00 0.00 176.35 176.73 2o3o s ALA 242 N -1.05 0.88 0.46 4.21 0.00 -0.63 -2.00 121.76 123.63 2o3o s ALA 242 Ca 0.17 -0.44 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 2o3o s ALA 242 Cb -0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.70 2o3o s ALA 242 CO 0.08 0.21 1.18 -1.25 0.00 0.00 0.00 175.76 175.98 2o3o s PRO 243 N -0.19 3.75 0.15 0.00 0.04 -1.26 -1.90 135.00 135.59 2o3o s PRO 243 Ca 0.03 1.82 -0.03 0.00 0.04 0.00 0.00 61.00 62.86 2o3o s PRO 243 Cb -0.05 -2.43 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2o3o s PRO 243 CO -0.00 -0.57 0.12 0.14 0.04 0.00 0.00 177.00 176.73 2o3o s VAL 244 N -1.51 0.08 -0.16 -0.36 -7.23 0.69 -1.58 120.40 110.34 2o3o s VAL 244 Ca 0.63 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 2o3o s VAL 244 Cb -0.30 -2.04 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2o3o s VAL 244 CO 0.36 -0.38 -0.10 0.26 -0.31 0.00 0.00 175.10 174.93 2o3o s TRP 245 N -4.04 2.87 -0.37 2.82 0.52 0.86 -1.57 118.94 120.03 2o3o s TRP 245 Ca 0.24 -0.72 -0.12 0.00 0.02 0.00 0.00 56.10 55.52 2o3o s TRP 245 Cb 0.06 -1.92 0.02 0.00 -1.15 0.00 0.00 33.47 30.48 2o3o s TRP 245 CO 0.02 -0.30 0.22 0.50 0.02 0.00 0.00 176.95 177.42 2o3o s ARG 246 N 0.65 2.99 -0.23 4.98 3.52 0.17 -1.47 118.95 129.58 2o3o s ARG 246 Ca -0.06 -0.97 -0.08 0.00 -0.13 0.00 0.00 55.73 54.49 2o3o s ARG 246 Cb -0.15 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 2o3o s ARG 246 CO 0.02 -0.65 0.08 0.42 -0.81 0.00 0.00 175.30 174.37 2o3o s ILE 247 N 1.61 4.65 -0.21 4.11 1.01 0.07 -1.69 121.20 130.74 2o3o s ILE 247 Ca 0.03 -0.07 -0.09 0.00 0.00 0.00 0.00 60.65 60.53 2o3o s ILE 247 Cb -0.19 -3.15 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 2o3o s ILE 247 CO 0.08 0.37 0.11 -0.89 0.00 0.00 0.00 174.94 174.61 2o3o s THR 248 N 1.14 5.07 0.29 2.92 2.01 -0.68 -0.29 115.64 126.10 2o3o s THR 248 Ca 0.05 0.07 0.11 0.00 0.31 0.00 0.00 61.69 62.23 2o3o s THR 248 Cb -0.14 -3.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 2o3o s THR 248 CO 0.04 0.41 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.52 2o3o s VAL 249 N 0.66 2.51 0.06 3.82 1.01 -0.51 -0.01 120.40 127.94 2o3o s VAL 249 Ca 0.06 -2.34 -0.16 0.00 0.00 0.00 0.00 61.98 59.54 2o3o s VAL 249 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.89 2o3o s VAL 249 CO 0.01 -0.37 0.36 -1.83 0.00 0.00 0.00 175.10 173.28 2o3o s GLU 250 N -3.54 0.91 0.26 2.72 -1.05 -0.76 -1.78 118.70 115.47 2o3o s GLU 250 Ca 0.31 -0.52 -0.19 0.00 -0.15 0.00 0.00 54.97 54.41 2o3o s GLU 250 Cb -0.04 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.07 2o3o s GLU 250 CO 0.16 -0.32 0.66 1.52 0.95 0.00 0.00 175.26 178.23 2o3o s TYR 251 N -2.87 -0.10 0.18 4.83 -0.85 -0.94 -1.19 117.35 116.41 2o3o s TYR 251 Ca -0.03 -0.32 -0.17 0.00 -0.52 0.00 0.00 57.07 56.03 2o3o s TYR 251 Cb 0.00 0.59 -0.07 0.00 0.38 0.00 0.00 41.96 42.85 2o3o s TYR 251 CO -0.05 -1.15 0.62 -1.21 -1.52 0.00 0.00 175.55 172.24 2o3o s GLU 252 N -3.93 4.10 0.21 -3.49 0.41 -1.26 -1.20 118.70 113.54 2o3o s GLU 252 Ca 0.13 0.66 -0.07 0.00 -0.41 0.00 0.00 54.97 55.27 2o3o s GLU 252 Cb -0.04 -2.91 -0.02 0.00 -1.78 0.00 0.00 34.13 29.37 2o3o s GLU 252 CO 0.06 0.45 0.29 0.21 -0.49 0.00 0.00 175.26 175.77 2o3o s LYS 253 N -1.95 1.31 -0.29 1.61 2.20 -0.58 -4.91 119.74 117.14 2o3o s LYS 253 Ca 0.40 -1.39 -0.09 0.00 -0.36 0.00 0.00 55.97 54.52 2o3o s LYS 253 Cb -0.16 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 2o3o s LYS 253 CO 0.20 -0.48 0.14 0.15 -0.36 0.00 0.00 175.35 175.00 2o3o s LYS 254 N -4.06 3.59 -0.56 4.03 3.01 -1.26 -0.51 119.74 123.97 2o3o s LYS 254 Ca 0.28 -0.55 -0.03 0.00 -1.01 0.00 0.00 55.97 54.66 2o3o s LYS 254 Cb 0.03 -3.53 0.15 0.00 -1.01 0.00 0.00 37.83 33.47 2o3o s LYS 254 CO 0.08 -0.29 0.37 0.21 0.51 0.00 0.00 175.35 176.23 2o3o s LYS 259 N 1.66 2.41 0.57 1.68 2.20 -1.26 -5.12 119.74 121.88 2o3o s LYS 259 Ca 0.06 -2.31 0.06 0.00 -0.36 0.00 0.00 55.97 53.42 2o3o s LYS 259 Cb -0.16 -3.70 0.06 0.00 -1.51 0.00 0.00 37.83 32.52 2o3o s LYS 259 CO 0.07 -1.15 0.54 0.15 -0.36 0.00 0.00 175.35 174.60 2o3o s LYS 260 N 0.32 2.23 -0.53 4.03 1.02 0.33 -5.10 119.74 122.03 2o3o s LYS 260 Ca 0.14 -1.97 -0.04 0.00 0.02 0.00 0.00 55.97 54.12 2o3o s LYS 260 Cb -0.21 -2.24 0.14 0.00 -0.52 0.00 0.00 37.83 35.00 2o3o s LYS 260 CO -0.04 -0.76 0.35 0.99 -0.92 0.00 0.00 175.35 174.98 2o3o s THR 261 N -2.78 3.73 0.66 2.17 2.01 -1.26 -1.52 115.64 118.65 2o3o s THR 261 Ca 0.41 -2.41 -0.12 0.00 0.31 0.00 0.00 61.69 59.88 2o3o s THR 261 Cb -0.03 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 2o3o s THR 261 CO 0.26 -0.80 1.05 -0.69 -0.69 0.00 0.00 174.62 173.75 2o3o s VAL 262 N 0.63 4.07 -0.02 3.82 1.01 -0.34 -4.87 120.40 124.70 2o3o s VAL 262 Ca 0.12 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.84 2o3o s VAL 262 Cb -0.22 -3.45 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2o3o s VAL 262 CO -0.04 -0.82 -0.03 -1.10 0.00 0.00 0.00 175.10 173.12 2o3o s GLN 263 N -4.85 0.45 0.08 2.72 -0.21 -1.26 -2.20 119.66 114.38 2o3o s GLN 263 Ca 0.59 -0.05 0.06 0.00 0.02 0.00 0.00 55.36 55.98 2o3o s GLN 263 Cb -0.14 -0.52 -0.04 0.00 1.00 0.00 0.00 33.01 33.32 2o3o s GLN 263 CO 0.51 -0.04 -0.10 -1.21 -2.12 0.00 0.00 175.29 172.33 2o3o s GLU 264 N 0.59 2.20 -0.00 2.91 2.02 -0.73 -5.00 118.70 120.69 2o3o s GLU 264 Ca -0.06 -0.97 0.08 0.00 0.02 0.00 0.00 54.97 54.04 2o3o s GLU 264 Cb -0.10 -2.33 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 2o3o s GLU 264 CO -0.01 0.53 -0.25 0.71 0.02 0.00 0.00 175.26 176.26 2o3o s TYR 265 N -1.15 2.25 0.04 1.61 1.51 -1.26 -1.43 117.35 118.92 2o3o s TYR 265 Ca 0.20 -0.42 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 2o3o s TYR 265 Cb -0.11 -1.42 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2o3o s TYR 265 CO 0.12 0.00 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.40 2o3o s PHE 266 N -0.65 0.85 -0.24 2.71 0.40 0.60 -4.99 117.98 116.67 2o3o s PHE 266 Ca 0.10 -0.42 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 2o3o s PHE 266 Cb -0.10 -0.50 0.06 0.00 0.51 0.00 0.00 43.02 42.99 2o3o s PHE 266 CO -0.00 -0.03 -0.05 0.99 0.70 0.00 0.00 175.22 176.84 2o3o s THR 267 N -1.12 1.54 -0.12 0.64 2.01 -1.26 -0.75 115.64 116.58 2o3o s THR 267 Ca -0.05 -1.26 -0.05 0.00 0.31 0.00 0.00 61.69 60.64 2o3o s THR 267 Cb -0.09 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 2o3o s THR 267 CO 0.01 -0.13 0.08 -0.69 -0.69 0.00 0.00 174.62 173.20 2o3o s VAL 268 N 1.38 4.99 -0.07 3.82 1.01 -0.54 -4.94 120.40 126.05 2o3o s VAL 268 Ca -0.05 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2o3o s VAL 268 Cb -0.19 -3.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2o3o s VAL 268 CO -0.07 0.59 1.11 0.21 0.00 0.00 0.00 175.10 176.95 2o3o s ASN 269 N -0.80 7.14 0.39 3.32 3.84 -1.26 -0.10 114.94 127.47 2o3o s ASN 269 Ca 0.13 1.70 0.21 0.00 0.21 0.00 0.00 52.86 55.11 2o3o s ASN 269 Cb -0.12 -2.56 0.26 0.00 -0.55 0.00 0.00 41.25 38.28 2o3o s ASN 269 CO 0.03 -0.51 1.53 0.00 -2.79 0.00 0.00 177.10 175.35 2o3o h ALA 270 N 7.27 0.90 -2.23 1.71 0.00 -1.60 -3.46 119.26 121.85 2o3o h ALA 270 Ca -0.33 -0.10 -0.55 0.00 0.00 0.00 0.00 54.91 53.92 2o3o h ALA 270 Cb 1.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2o3o h ALA 270 CO 0.86 0.14 1.05 -0.51 0.00 0.00 0.00 179.25 180.79 2o3o s LEU 271 N -6.19 4.27 -0.64 0.00 1.43 -1.26 -1.75 118.68 114.54 2o3o s LEU 271 Ca 0.06 2.09 -0.23 0.00 -1.03 0.00 0.00 54.13 55.02 2o3o s LEU 271 Cb 0.06 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.81 2o3o s LEU 271 CO 0.70 -0.91 0.95 -0.70 0.23 0.00 0.00 176.35 176.62 2o3o s GLU 272 N 3.96 3.14 -0.27 1.70 2.12 -1.17 -4.89 118.70 123.28 2o3o s GLU 272 Ca 0.69 -0.76 -0.00 0.00 0.36 0.00 0.00 54.97 55.26 2o3o s GLU 272 Cb -0.30 -4.20 0.15 0.00 0.26 0.00 0.00 34.13 30.03 2o3o s GLU 272 CO 0.26 -1.76 0.39 -1.54 -0.54 0.00 0.00 175.26 172.07 2o3o s SER 273 N 3.55 0.44 0.10 -1.70 1.04 -1.26 -4.80 113.70 111.07 2o3o s SER 273 Ca 0.23 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2o3o s SER 273 Cb -0.16 1.06 0.00 0.00 0.10 0.00 0.00 66.02 67.01 2o3o s SER 273 CO 0.11 -0.33 0.00 0.35 0.98 0.00 0.00 173.24 174.35 2o3o n THR 274 N 5.35 0.54 -3.09 2.02 -2.24 -1.26 -5.02 114.28 110.59 2o3o n THR 274 Ca -0.01 0.18 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 2o3o n THR 274 Cb 0.49 -1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 67.41 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 -2.00 4.94 0.07 2.28 1.01 -1.26 -5.05 121.20 121.19 2o3o s ILE 275 Ca 0.00 1.03 0.01 0.00 0.00 0.00 0.00 60.65 61.69 2o3o s ILE 275 Cb 0.00 -3.99 0.01 0.00 0.01 0.00 0.00 42.46 38.48 2o3o s ILE 275 CO 0.00 -0.08 0.05 0.18 0.00 0.00 0.00 174.94 175.09 2o3o n LEU 276 N 5.85 0.00 0.00 2.97 4.77 -1.26 -5.21 117.00 124.12 2o3o n LEU 276 Ca -0.00 -0.40 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2o3o n LEU 276 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2o3o n LEU 276 CO 0.45 -0.28 0.00 -0.67 -1.33 0.00 0.00 177.39 175.56