#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 0.30 0.00 -1.58 4.07 -1.26 -4.71 120.64 117.46 2o3o n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2o3o n GLU 35 Cb 0.00 -0.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.83 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 -0.85 0.00 0.03 4.31 0.18 -1.26 -1.37 117.16 118.20 2o3o n TYR 36 Ca 0.00 0.00 -0.20 0.00 1.88 0.00 0.00 57.90 59.58 2o3o n TYR 36 Cb 0.05 -0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.86 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 0.27 -0.05 -3.48 4.57 -1.98 -2.65 114.58 111.26 2o3o h GLU 37 Ca 0.00 -0.46 0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2o3o h GLU 37 Cb 0.01 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2o3o h GLU 37 CO 0.00 1.22 -0.12 0.28 -1.18 0.00 0.00 179.01 179.21 2o3o h VAL 38 N -0.37 0.68 -0.11 0.32 2.07 -1.53 0.63 116.25 117.94 2o3o h VAL 38 Ca -0.20 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.13 2o3o h VAL 38 Cb 1.67 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.12 2o3o h VAL 38 CO 0.11 0.00 -0.71 0.40 0.02 0.00 0.00 177.57 177.39 2o3o h ILE 39 N -0.19 1.35 -0.28 4.57 1.08 -1.60 0.28 117.51 122.73 2o3o h ILE 39 Ca 0.06 -2.05 -0.11 0.00 -0.39 0.00 0.00 64.86 62.37 2o3o h ILE 39 Cb 0.27 2.02 -0.01 0.00 -3.07 0.00 0.00 36.82 36.03 2o3o h ILE 39 CO -0.16 0.63 -0.29 0.11 -0.69 0.00 0.00 178.15 177.74 2o3o h LYS 40 N 0.36 0.56 0.00 2.37 1.57 -1.27 -2.35 116.57 117.81 2o3o h LYS 40 Ca -0.03 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2o3o h LYS 40 Cb 1.29 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.58 2o3o h LYS 40 CO 0.13 0.80 -0.64 -2.95 -0.57 0.00 0.00 179.45 176.22 2o3o h ASN 41 N 0.49 0.00 0.55 0.86 7.08 -0.69 -2.09 115.58 121.78 2o3o h ASN 41 Ca 0.06 -0.19 -0.03 0.00 -3.08 0.00 0.00 56.30 53.06 2o3o h ASN 41 Cb 0.75 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 37.00 2o3o h ASN 41 CO 0.06 0.10 -0.27 0.44 -2.08 0.00 0.00 177.43 175.68 2o3o h ASP 42 N 0.00 -0.63 -0.81 6.14 5.19 -0.28 -1.06 116.42 124.96 2o3o h ASP 42 Ca 0.00 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.43 2o3o h ASP 42 Cb 0.77 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.39 2o3o h ASP 42 CO 0.00 -0.39 0.52 0.58 -3.12 0.00 0.00 179.24 176.83 2o3o h VAL 43 N -0.83 1.13 -0.61 -1.35 2.07 -1.43 0.29 116.25 115.53 2o3o h VAL 43 Ca -0.08 -0.35 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 2o3o h VAL 43 Cb 0.60 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 2o3o h VAL 43 CO 0.12 0.19 0.06 -0.08 0.02 0.00 0.00 177.57 177.88 2o3o h GLU 44 N 1.02 1.01 0.03 1.57 4.81 -1.38 -2.95 114.58 118.69 2o3o h GLU 44 Ca 0.32 -0.28 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2o3o h GLU 44 Cb -0.00 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2o3o h GLU 44 CO -0.11 0.95 -0.01 0.45 -0.73 0.00 0.00 179.01 179.56 2o3o h HIS 45 N 0.94 -0.04 0.00 0.92 3.86 -0.36 -2.97 115.15 117.50 2o3o h HIS 45 Ca 0.18 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2o3o h HIS 45 Cb 0.46 0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.94 2o3o h HIS 45 CO 0.03 0.37 0.00 -0.25 0.86 0.00 0.00 177.93 178.94 2o3o n ASP 46 N -4.91 0.00 0.00 2.45 10.43 0.93 -1.86 116.55 123.59 2o3o n ASP 46 Ca -0.08 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.28 2o3o n ASP 46 Cb 0.22 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.18 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 0.60 0.00 -0.25 -1.24 3.00 -1.12 -2.33 118.16 116.82 2o3o n LYS 48 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.35 2o3o n LYS 48 Cb 0.00 0.00 0.17 0.00 0.00 0.00 0.00 35.03 35.20 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 0.99 -0.05 3.14 0.00 -1.68 0.15 119.26 121.81 2o3o h ALA 49 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2o3o h ALA 49 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2o3o h ALA 49 CO 0.00 -0.24 0.00 -0.25 0.00 0.00 0.00 179.25 178.76 2o3o n ASP 50 N -5.04 0.37 -3.58 0.00 9.92 -0.98 -4.91 116.55 112.33 2o3o n ASP 50 Ca 0.13 -1.62 -0.22 0.00 -0.53 0.00 0.00 54.79 52.55 2o3o n ASP 50 Cb 0.40 -0.03 0.07 0.00 -0.64 0.00 0.00 41.12 40.93 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 -0.48 -2.53 -3.10 1.24 8.25 0.52 -1.30 115.22 117.82 2o3o n HIS 51 Ca 0.11 0.97 -0.41 0.00 -0.26 0.00 0.00 57.72 58.13 2o3o n HIS 51 Cb 0.11 -4.91 -0.06 0.00 1.12 0.00 0.00 29.99 26.25 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 -3.36 4.98 -0.18 1.59 1.01 -1.26 -3.65 121.20 120.34 2o3o s ILE 52 Ca 0.36 1.15 -0.09 0.00 0.00 0.00 0.00 60.65 62.08 2o3o s ILE 52 Cb -0.16 -3.94 -0.05 0.00 0.01 0.00 0.00 42.46 38.32 2o3o s ILE 52 CO 0.75 0.03 0.12 -0.89 0.00 0.00 0.00 174.94 174.95 2o3o s THR 53 N 2.45 5.31 0.16 2.92 2.01 -0.20 -4.69 115.64 123.60 2o3o s THR 53 Ca 0.27 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.46 2o3o s THR 53 Cb -0.16 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 2o3o s THR 53 CO 0.09 0.48 -0.09 -0.72 -0.69 0.00 0.00 174.62 173.68 2o3o s TYR 54 N 0.09 1.33 -0.10 4.92 -0.85 -1.26 -0.41 117.35 121.07 2o3o s TYR 54 Ca 0.09 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 55.80 2o3o s TYR 54 Cb -0.11 -0.69 0.04 0.00 0.38 0.00 0.00 41.96 41.58 2o3o s TYR 54 CO -0.01 0.08 0.26 -1.21 -1.52 0.00 0.00 175.55 173.15 2o3o s GLU 55 N -3.76 0.25 -1.40 -3.49 2.02 -1.26 -4.97 118.70 106.09 2o3o s GLU 55 Ca 0.19 0.47 -0.06 0.00 0.02 0.00 0.00 54.97 55.59 2o3o s GLU 55 Cb 0.03 -0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.25 2o3o s GLU 55 CO 0.02 -0.11 0.78 0.41 0.02 0.00 0.00 175.26 176.38 2o3o n GLY 56 N 3.73 -0.45 3.74 -1.39 0.00 -1.26 -4.98 105.19 104.58 2o3o n GLY 56 Ca -0.20 0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.56 4.32 0.10 0.99 1.43 -1.26 -5.02 118.68 112.69 2o3o s LEU 57 Ca 0.39 0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 54.07 2o3o s LEU 57 Cb -0.17 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.26 2o3o s LEU 57 CO 0.48 0.06 1.40 0.21 0.23 0.00 0.00 176.35 178.73 2o3o s ASN 58 N 0.28 6.81 0.00 2.29 2.47 -1.26 -4.90 114.94 120.63 2o3o s ASN 58 Ca 0.26 2.31 0.16 0.00 0.42 0.00 0.00 52.86 56.02 2o3o s ASN 58 Cb -0.16 -2.58 0.05 0.00 -1.45 0.00 0.00 41.25 37.11 2o3o s ASN 58 CO 0.12 -0.67 0.92 0.29 -3.72 0.00 0.00 177.10 174.04 2o3o n LYS 59 N 4.19 1.54 -3.30 0.43 5.02 -1.26 -2.78 118.16 122.01 2o3o n LYS 59 Ca 0.12 -1.09 -0.34 0.00 -2.02 0.00 0.00 58.31 54.98 2o3o n LYS 59 Cb 0.42 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.68 3.95 0.67 1.97 0.41 -1.26 -4.91 118.70 117.86 2o3o s GLU 60 Ca 0.16 0.50 -0.11 0.00 -0.41 0.00 0.00 54.97 55.11 2o3o s GLU 60 Cb 0.13 -2.71 -0.01 0.00 -1.78 0.00 0.00 34.13 29.77 2o3o s GLU 60 CO 0.32 0.34 1.05 0.00 -0.49 0.00 0.00 175.26 176.48 2o3o s ALA 61 N -1.72 2.80 0.06 5.21 0.00 -1.26 -4.65 121.76 122.20 2o3o s ALA 61 Ca 0.46 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.46 2o3o s ALA 61 Cb -0.13 -3.15 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2o3o s ALA 61 CO 0.20 -1.06 -0.03 0.95 0.00 0.00 0.00 175.76 175.82 2o3o s THR 62 N -3.05 0.26 -0.07 0.00 -4.23 -1.26 -5.03 115.64 102.26 2o3o s THR 62 Ca 0.57 -1.83 -0.04 0.00 -1.18 0.00 0.00 61.69 59.22 2o3o s THR 62 Cb -0.13 -1.57 -0.04 0.00 1.34 0.00 0.00 72.50 72.10 2o3o s THR 62 CO 0.54 -0.96 0.12 -1.61 -0.54 0.00 0.00 174.62 172.17 2o3o s GLU 63 N -3.92 3.30 0.00 3.99 0.41 -1.26 -0.91 118.70 120.31 2o3o s GLU 63 Ca 0.08 -0.28 0.00 0.00 -0.41 0.00 0.00 54.97 54.37 2o3o s GLU 63 Cb 0.08 -3.05 0.00 0.00 -1.78 0.00 0.00 34.13 29.38 2o3o s GLU 63 CO -0.09 0.72 0.00 0.41 -0.49 0.00 0.00 175.26 175.81 2o3o n GLY 64 N 1.65 4.11 3.04 -1.39 0.00 0.32 -4.87 105.19 108.06 2o3o n GLY 64 Ca -0.17 -1.76 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 2o3o n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2o3o s TYR 65 N -1.77 -0.03 0.08 1.61 1.51 -1.26 0.13 117.35 117.63 2o3o s TYR 65 Ca 0.00 0.06 -0.28 0.00 -1.01 0.00 0.00 57.07 55.85 2o3o s TYR 65 Cb 0.00 -0.02 -0.06 0.00 -0.11 0.00 0.00 41.96 41.78 2o3o s TYR 65 CO 0.00 -0.17 0.87 1.03 -1.11 0.00 0.00 175.55 176.17 2o3o s ARG 66 N -0.67 4.60 0.17 -0.62 0.52 -1.06 -4.19 118.95 117.70 2o3o s ARG 66 Ca -0.08 1.27 0.09 0.00 -0.52 0.00 0.00 55.73 56.49 2o3o s ARG 66 Cb -0.05 -3.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.02 2o3o s ARG 66 CO 0.01 0.26 -0.19 0.96 0.02 0.00 0.00 175.30 176.36 2o3o s ILE 67 N -0.08 1.89 0.15 1.52 -4.36 -0.96 -0.96 121.20 118.40 2o3o s ILE 67 Ca 0.43 -1.92 0.11 0.00 -0.26 0.00 0.00 60.65 59.01 2o3o s ILE 67 Cb -0.22 -1.87 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2o3o s ILE 67 CO 0.27 -0.27 -0.25 0.42 0.24 0.00 0.00 174.94 175.34 2o3o s THR 68 N -1.95 2.19 0.05 8.37 -4.23 0.06 -0.12 115.64 120.00 2o3o s THR 68 Ca 0.16 -1.83 -0.10 0.00 -1.18 0.00 0.00 61.69 58.75 2o3o s THR 68 Cb -0.06 -1.97 0.00 0.00 1.34 0.00 0.00 72.50 71.81 2o3o s THR 68 CO 0.07 -0.02 0.20 0.00 -0.54 0.00 0.00 174.62 174.33 2o3o s ALA 69 N -1.33 -0.36 0.16 3.99 0.00 -0.69 -1.28 121.76 122.25 2o3o s ALA 69 Ca 0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.77 2o3o s ALA 69 Cb -0.09 0.32 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 2o3o s ALA 69 CO 0.07 -0.39 0.36 -0.80 0.00 0.00 0.00 175.76 175.00 2o3o s ASN 70 N -2.20 6.43 -0.35 0.00 0.01 -0.47 -1.35 114.94 117.00 2o3o s ASN 70 Ca -0.04 0.46 -0.27 0.00 -0.71 0.00 0.00 52.86 52.31 2o3o s ASN 70 Cb -0.00 -2.04 0.02 0.00 0.41 0.00 0.00 41.25 39.64 2o3o s ASN 70 CO -0.05 0.03 0.99 -1.58 -1.51 0.00 0.00 177.10 174.97 2o3o s GLN 71 N -2.93 3.94 0.21 -0.60 2.00 -1.22 -1.17 119.66 119.90 2o3o s GLN 71 Ca 0.39 0.78 -0.31 0.00 -2.00 0.00 0.00 55.36 54.22 2o3o s GLN 71 Cb -0.12 -3.77 -0.11 0.00 0.80 0.00 0.00 33.01 29.81 2o3o s GLN 71 CO 0.27 -0.93 1.65 0.21 -0.50 0.00 0.00 175.29 175.99 2o3o s LYS 72 N 3.56 4.15 -0.23 1.67 2.47 0.17 -4.94 119.74 126.60 2o3o s LYS 72 Ca 0.41 2.52 -0.08 0.00 -1.56 0.00 0.00 55.97 57.27 2o3o s LYS 72 Cb -0.12 -3.09 -0.04 0.00 -1.46 0.00 0.00 37.83 33.13 2o3o s LYS 72 CO 0.17 -0.68 0.08 0.45 0.16 0.00 0.00 175.35 175.53 2o3o s SER 73 N 1.02 5.40 -0.19 1.43 0.15 -1.26 -4.50 113.70 115.75 2o3o s SER 73 Ca 0.71 -0.08 -0.21 0.00 0.70 0.00 0.00 55.95 57.07 2o3o s SER 73 Cb -0.47 -1.96 -0.03 0.00 -1.71 0.00 0.00 66.02 61.85 2o3o s SER 73 CO 0.35 0.04 0.63 -0.36 1.20 0.00 0.00 173.24 175.11 2o3o s PHE 74 N 1.15 3.38 0.62 3.44 0.40 -0.32 -5.01 117.98 121.64 2o3o s PHE 74 Ca 0.05 0.94 -0.07 0.00 -0.60 0.00 0.00 56.93 57.25 2o3o s PHE 74 Cb -0.14 -2.80 0.01 0.00 0.51 0.00 0.00 43.02 40.60 2o3o s PHE 74 CO 0.04 -0.16 0.94 -1.54 0.70 0.00 0.00 175.22 175.19 2o3o s SER 75 N 1.18 5.52 0.22 1.36 1.04 -1.26 -4.50 113.70 117.26 2o3o s SER 75 Ca 0.29 0.77 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 2o3o s SER 75 Cb -0.16 -1.71 0.21 0.00 0.10 0.00 0.00 66.02 64.46 2o3o s SER 75 CO 0.11 -1.14 1.69 0.50 0.98 0.00 0.00 173.24 175.37 2o3o h LYS 76 N -0.29 0.88 -0.02 4.02 3.64 -1.97 -1.67 116.57 121.17 2o3o h LYS 76 Ca -0.45 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 58.68 2o3o h LYS 76 Cb 1.26 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2o3o h LYS 76 CO 0.61 0.91 -0.30 0.93 -2.27 0.00 0.00 179.45 179.33 2o3o h GLU 77 N 0.80 -0.43 -0.69 1.90 5.08 -1.98 -2.77 114.58 116.49 2o3o h GLU 77 Ca 0.14 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2o3o h GLU 77 Cb 0.56 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2o3o h GLU 77 CO 0.03 -0.28 0.45 0.93 -1.00 0.00 0.00 179.01 179.14 2o3o h GLU 78 N -0.44 0.76 0.55 2.33 5.08 -1.75 -1.64 114.58 119.46 2o3o h GLU 78 Ca 0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 2o3o h GLU 78 Cb 0.54 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.62 2o3o h GLU 78 CO -0.27 0.50 -0.26 0.82 -1.00 0.00 0.00 179.01 178.80 2o3o h ILE 79 N 0.78 0.08 -0.00 3.13 2.04 -1.11 -3.19 117.51 119.23 2o3o h ILE 79 Ca 0.28 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2o3o h ILE 79 Cb 0.15 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2o3o h ILE 79 CO -0.09 0.02 0.00 -1.84 0.00 0.00 0.00 178.15 176.24 2o3o n GLU 80 N -5.27 1.02 -0.13 2.37 0.28 -1.06 -2.69 120.64 115.15 2o3o n GLU 80 Ca -0.10 -0.03 -0.04 0.00 -0.16 0.00 0.00 57.16 56.83 2o3o n GLU 80 Cb 0.30 -1.38 0.16 0.00 1.43 0.00 0.00 31.44 31.95 2o3o n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2o3o h ALA 81 N 3.78 1.13 -2.10 -1.84 0.00 -1.28 -3.45 119.26 115.51 2o3o h ALA 81 Ca 0.00 -0.24 -0.56 0.00 0.00 0.00 0.00 54.91 54.11 2o3o h ALA 81 Cb 0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2o3o h ALA 81 CO 0.00 0.57 1.11 -0.51 0.00 0.00 0.00 179.25 180.42 2o3o s LEU 82 N -9.25 4.01 0.27 0.00 1.43 -1.10 -4.96 118.68 109.08 2o3o s LEU 82 Ca -0.10 1.78 -0.30 0.00 -1.03 0.00 0.00 54.13 54.49 2o3o s LEU 82 Cb 0.15 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.74 2o3o s LEU 82 CO 0.81 -1.15 1.08 -0.75 0.23 0.00 0.00 176.35 176.56 2o3o s LYS 83 N 4.47 4.67 -1.55 1.70 2.20 -1.26 -3.46 119.74 126.50 2o3o s LYS 83 Ca 0.71 1.76 -0.13 0.00 -0.36 0.00 0.00 55.97 57.95 2o3o s LYS 83 Cb -0.27 -3.20 0.09 0.00 -1.51 0.00 0.00 37.83 32.94 2o3o s LYS 83 CO 0.28 0.25 0.87 -0.25 -0.36 0.00 0.00 175.35 176.14 2o3o n ASP 84 N 1.28 -3.82 -3.75 1.43 8.00 -1.26 -4.98 116.55 113.45 2o3o n ASP 84 Ca -0.01 -0.86 -0.19 0.00 0.71 0.00 0.00 54.79 54.45 2o3o n ASP 84 Cb 0.45 -3.56 -0.17 0.00 -0.02 0.00 0.00 41.12 37.82 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 -6.64 0.17 -0.05 -1.24 -0.21 -1.22 -1.57 119.66 108.89 2o3o s GLN 85 Ca 0.58 0.20 0.04 0.00 0.02 0.00 0.00 55.36 56.20 2o3o s GLN 85 Cb -0.30 -0.53 -0.02 0.00 1.00 0.00 0.00 33.01 33.15 2o3o s GLN 85 CO 0.86 -0.23 -0.16 0.15 -2.12 0.00 0.00 175.29 173.78 2o3o s LYS 86 N 1.56 2.53 0.31 2.91 -0.14 0.15 -4.89 119.74 122.18 2o3o s LYS 86 Ca -0.02 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.56 2o3o s LYS 86 Cb -0.13 -2.34 -0.10 0.00 -1.68 0.00 0.00 37.83 33.58 2o3o s LYS 86 CO -0.03 0.56 1.23 -1.25 -0.76 0.00 0.00 175.35 175.10 2o3o s PRO 87 N -0.58 4.46 -0.71 -1.68 0.04 -1.26 0.17 135.00 135.42 2o3o s PRO 87 Ca 0.08 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.21 2o3o s PRO 87 Cb -0.11 -3.11 0.33 0.00 0.04 0.00 0.00 34.50 31.65 2o3o s PRO 87 CO 0.01 -0.04 1.20 1.28 0.04 0.00 0.00 177.00 179.49 2o3o n LEU 88 N 0.93 5.32 0.00 -3.56 4.77 -0.93 -4.85 117.00 118.68 2o3o n LEU 88 Ca -0.00 -5.60 0.00 0.00 -0.03 0.00 0.00 56.01 50.38 2o3o n LEU 88 Cb 0.43 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2o3o n LEU 88 CO 0.57 2.26 0.00 0.47 -1.33 0.00 0.00 177.39 179.36 2o3o n ASP 90 N -0.17 0.00 -4.90 -1.43 8.00 -1.26 -4.81 116.55 111.98 2o3o n ASP 90 Ca 0.36 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.56 2o3o n ASP 90 Cb 0.35 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.81 3.67 0.06 -0.24 0.04 -1.26 -4.85 135.00 133.22 2o3o s PRO 92 Ca 0.00 0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.08 2o3o s PRO 92 Cb 0.00 -2.69 0.00 0.00 0.04 0.00 0.00 34.50 31.85 2o3o s PRO 92 CO 0.00 0.30 0.09 -1.13 0.04 0.00 0.00 177.00 176.30 2o3o n SER 93 N -0.52 -0.26 0.08 6.66 3.41 -1.01 -4.94 113.62 117.04 2o3o n SER 93 Ca -0.01 -1.27 -0.12 0.00 -0.26 0.00 0.00 58.87 57.21 2o3o n SER 93 Cb 0.53 0.46 -0.05 0.00 -0.26 0.00 0.00 64.21 64.89 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 0.30 -0.39 -0.02 4.04 5.19 -2.07 -3.24 116.42 120.23 2o3o h ASP 94 Ca -0.04 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2o3o h ASP 94 Cb 0.18 0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2o3o h ASP 94 CO 0.06 -0.20 -0.06 0.44 -3.12 0.00 0.00 179.24 176.35 2o3o h ASP 95 N -0.27 0.09 -3.33 6.45 3.32 -2.08 -3.47 116.42 117.13 2o3o h ASP 95 Ca 0.03 -0.61 -0.50 0.00 0.02 0.00 0.00 57.03 55.96 2o3o h ASP 95 Cb 0.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.82 2o3o h ASP 95 CO -0.09 0.69 -0.05 -2.28 -1.72 0.00 0.00 179.24 175.79 2o3o s HIS 96 N -3.77 3.49 -0.03 4.55 2.46 -1.22 -5.10 115.29 115.67 2o3o s HIS 96 Ca -0.16 0.74 -0.01 0.00 0.47 0.00 0.00 55.06 56.10 2o3o s HIS 96 Cb 0.01 -2.19 0.03 0.00 -0.13 0.00 0.00 32.58 30.30 2o3o s HIS 96 CO 0.70 0.04 0.04 0.15 -2.47 0.00 0.00 174.74 173.20 2o3o s LYS 97 N -3.84 0.03 -0.31 2.88 1.02 -1.26 -2.40 119.74 115.85 2o3o s LYS 97 Ca 0.46 0.24 -0.21 0.00 0.02 0.00 0.00 55.97 56.49 2o3o s LYS 97 Cb -0.10 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.77 2o3o s LYS 97 CO 0.33 -0.24 0.65 0.08 -0.92 0.00 0.00 175.35 175.25 2o3o s VAL 98 N 1.56 4.91 -1.57 3.17 1.01 -1.26 -4.86 120.40 123.36 2o3o s VAL 98 Ca -0.03 0.86 0.13 0.00 0.00 0.00 0.00 61.98 62.94 2o3o s VAL 98 Cb -0.13 -4.03 0.12 0.00 0.00 0.00 0.00 36.38 32.34 2o3o s VAL 98 CO -0.03 -0.19 0.93 0.35 0.00 0.00 0.00 175.10 176.17 2o3o n THR 99 N 5.45 0.07 -3.54 3.92 -2.24 -1.26 -1.17 114.28 115.50 2o3o n THR 99 Ca -0.00 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.01 2o3o n THR 99 Cb 0.49 1.22 -0.14 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.06 2.11 0.08 3.42 0.15 -1.26 -4.49 113.70 112.65 2o3o s SER 100 Ca 0.16 -0.59 -0.30 0.00 0.70 0.00 0.00 55.95 55.92 2o3o s SER 100 Cb 0.11 0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.41 2o3o s SER 100 CO 0.16 -0.36 0.96 -0.76 1.20 0.00 0.00 173.24 174.44 2o3o s LEU 101 N 2.22 4.47 0.36 3.45 1.43 -0.59 -4.91 118.68 125.11 2o3o s LEU 101 Ca 0.06 1.75 0.08 0.00 -1.03 0.00 0.00 54.13 54.99 2o3o s LEU 101 Cb -0.16 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2o3o s LEU 101 CO -0.17 -0.11 0.15 -0.75 0.23 0.00 0.00 176.35 175.70 2o3o s LYS 102 N 0.24 2.33 -0.29 1.70 2.20 -1.26 -0.30 119.74 124.37 2o3o s LYS 102 Ca 0.48 -1.61 -0.16 0.00 -0.36 0.00 0.00 55.97 54.32 2o3o s LYS 102 Cb -0.23 -2.13 0.11 0.00 -1.51 0.00 0.00 37.83 34.07 2o3o s LYS 102 CO 0.29 0.06 0.79 0.21 -0.36 0.00 0.00 175.35 176.34 2o3o s LYS 104 N -3.86 0.57 0.33 4.03 2.20 0.13 -2.19 119.74 120.95 2o3o s LYS 104 Ca 0.38 1.04 -0.28 0.00 -0.36 0.00 0.00 55.97 56.76 2o3o s LYS 104 Cb -0.01 0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 36.40 2o3o s LYS 104 CO 0.23 -0.13 1.13 -0.06 -0.36 0.00 0.00 175.35 176.15 2o3o s PHE 105 N 1.67 3.37 0.15 4.03 0.40 0.01 0.31 117.98 127.92 2o3o s PHE 105 Ca -0.09 1.63 -0.23 0.00 -0.60 0.00 0.00 56.93 57.64 2o3o s PHE 105 Cb -0.05 -3.32 0.02 0.00 0.51 0.00 0.00 43.02 40.18 2o3o s PHE 105 CO -0.18 -0.86 1.63 0.00 0.70 0.00 0.00 175.22 176.51 2o3o h ALA 106 N 3.31 -0.17 -3.78 5.36 0.00 -1.62 -3.40 119.26 118.97 2o3o h ALA 106 Ca -0.48 0.07 -0.61 0.00 0.00 0.00 0.00 54.91 53.89 2o3o h ALA 106 Cb 1.22 0.51 -0.32 0.00 0.00 0.00 0.00 17.79 19.20 2o3o h ALA 106 CO 0.65 -0.69 -0.85 -0.80 0.00 0.00 0.00 179.25 177.56 2o3o s ASN 107 N -5.02 2.52 0.81 0.00 0.01 -1.26 -5.12 114.94 106.89 2o3o s ASN 107 Ca -0.15 -0.43 -0.15 0.00 -0.71 0.00 0.00 52.86 51.43 2o3o s ASN 107 Cb 0.12 -0.83 -0.00 0.00 0.41 0.00 0.00 41.25 40.94 2o3o s ASN 107 CO 0.68 0.16 0.54 -0.81 -1.51 0.00 0.00 177.10 176.16 2o3o n PRO 108 N 3.23 0.09 -3.82 -0.60 -0.04 -1.26 -4.97 135.00 127.63 2o3o n PRO 108 Ca -0.19 0.08 -0.36 0.00 -0.04 0.00 0.00 63.50 62.99 2o3o n PRO 108 Cb 0.53 -1.89 -0.13 0.00 -0.04 0.00 0.00 33.50 31.96 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 -2.09 3.60 0.17 0.52 1.01 -0.87 -4.91 121.20 118.63 2o3o s ILE 109 Ca 0.63 -0.84 -0.33 0.00 0.00 0.00 0.00 60.65 60.10 2o3o s ILE 109 Cb -0.29 -2.87 -0.14 0.00 0.01 0.00 0.00 42.46 39.17 2o3o s ILE 109 CO 0.61 0.09 1.54 0.00 0.00 0.00 0.00 174.94 177.18 2o3o n ALA 110 N 4.80 1.27 -3.32 9.38 0.00 -1.26 -2.16 120.51 129.22 2o3o n ALA 110 Ca -0.15 0.44 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 2o3o n ALA 110 Cb 0.47 -2.33 -0.17 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 0.74 1.93 0.99 0.00 1.43 -0.97 -4.94 118.68 117.85 2o3o s LEU 111 Ca 0.77 -0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 2o3o s LEU 111 Cb -0.68 -1.20 0.19 0.00 0.03 0.00 0.00 46.19 44.52 2o3o s LEU 111 CO 0.40 0.11 1.10 -0.55 0.23 0.00 0.00 176.35 177.64 2o3o s SER 112 N 0.48 2.38 -0.10 2.29 0.15 -1.26 -4.79 113.70 112.85 2o3o s SER 112 Ca -0.17 1.91 -0.03 0.00 0.70 0.00 0.00 55.95 58.36 2o3o s SER 112 Cb -0.17 -2.46 -0.01 0.00 -1.71 0.00 0.00 66.02 61.67 2o3o s SER 112 CO 0.07 -3.39 -0.07 0.11 1.20 0.00 0.00 173.24 171.16 2o3o h LYS 113 N -2.07 0.00 0.21 5.44 1.57 -1.97 -3.31 116.57 116.43 2o3o h LYS 113 Ca -0.50 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 57.96 2o3o h LYS 113 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.62 2o3o h LYS 113 CO 0.46 0.00 -1.51 0.87 -0.57 0.00 0.00 179.45 178.69 2o3o h LYS 114 N -0.82 0.44 -2.45 3.15 1.57 -2.06 -3.33 116.57 113.06 2o3o h LYS 114 Ca 0.00 -0.75 -0.81 0.00 -1.87 0.00 0.00 60.65 57.22 2o3o h LYS 114 Cb 0.19 0.28 -0.27 0.00 0.08 0.00 0.00 32.23 32.51 2o3o h LYS 114 CO 0.00 1.35 1.00 -3.47 -0.57 0.00 0.00 179.45 177.76 2o3o n ASP 115 N -3.63 7.11 0.02 0.86 2.03 -1.26 -4.78 116.55 116.89 2o3o n ASP 115 Ca -0.17 -3.60 -0.22 0.00 0.52 0.00 0.00 54.79 51.32 2o3o n ASP 115 Cb 1.08 -1.20 -0.14 0.00 -0.72 0.00 0.00 41.12 40.14 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 2.57 1.04 -0.06 5.18 2.10 -1.68 -3.19 117.51 123.47 2o3o h ILE 116 Ca 0.45 -2.43 -0.01 0.00 1.08 0.00 0.00 64.86 63.94 2o3o h ILE 116 Cb 0.40 2.76 -0.00 0.00 -1.09 0.00 0.00 36.82 38.89 2o3o h ILE 116 CO 1.23 0.74 -0.02 -0.33 -1.08 0.00 0.00 178.15 178.69 2o3o h GLU 117 N -0.23 0.12 -0.98 2.19 5.08 -1.89 -0.76 114.58 118.12 2o3o h GLU 117 Ca -0.30 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2o3o h GLU 117 Cb 1.82 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.00 2o3o h GLU 117 CO 0.09 0.45 0.63 -0.44 -1.00 0.00 0.00 179.01 178.74 2o3o h ASP 118 N -0.22 0.99 -0.15 1.42 5.19 -1.96 0.65 116.42 122.34 2o3o h ASP 118 Ca 0.02 0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 2o3o h ASP 118 Cb 0.41 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 2o3o h ASP 118 CO 0.01 0.62 -0.34 0.44 -3.12 0.00 0.00 179.24 176.84 2o3o h ASP 119 N 1.12 0.68 -0.72 6.45 5.19 -1.49 -1.13 116.42 126.51 2o3o h ASP 119 Ca 0.43 -0.28 -0.06 0.00 -0.62 0.00 0.00 57.03 56.51 2o3o h ASP 119 Cb 0.22 -0.19 -0.03 0.00 0.18 0.00 0.00 39.33 39.51 2o3o h ASP 119 CO -0.19 0.96 0.24 0.00 -3.12 0.00 0.00 179.24 177.13 2o3o h ALA 120 N 1.08 1.04 -0.44 3.45 0.00 -0.15 -2.24 119.26 122.00 2o3o h ALA 120 Ca 0.06 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2o3o h ALA 120 Cb 0.84 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2o3o h ALA 120 CO 0.07 0.65 0.10 1.96 0.00 0.00 0.00 179.25 182.04 2o3o h GLN 121 N 1.09 0.70 -0.54 0.00 4.20 -0.55 -2.02 115.11 117.99 2o3o h GLN 121 Ca 0.24 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.78 2o3o h GLN 121 Cb 0.29 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 2o3o h GLN 121 CO -0.01 0.71 0.36 0.00 -0.67 0.00 0.00 178.83 179.22 2o3o h ALA 122 N 0.96 0.69 0.36 3.87 0.00 -1.13 -1.42 119.26 122.59 2o3o h ALA 122 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2o3o h ALA 122 Cb 0.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2o3o h ALA 122 CO 0.00 0.13 -0.31 1.25 0.00 0.00 0.00 179.25 180.33 2o3o h LEU 123 N 0.74 -0.82 -0.95 0.00 5.85 -1.29 0.75 115.31 119.59 2o3o h LEU 123 Ca 0.20 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2o3o h LEU 123 Cb -0.08 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 2o3o h LEU 123 CO -0.04 -0.45 0.61 0.58 -0.34 0.00 0.00 178.44 178.80 2o3o h VAL 124 N -0.68 1.25 -0.22 1.05 2.07 -1.21 0.15 116.25 118.67 2o3o h VAL 124 Ca -0.03 -0.49 -0.17 0.00 0.82 0.00 0.00 66.70 66.83 2o3o h VAL 124 Cb 0.60 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 2o3o h VAL 124 CO -0.03 0.25 -0.53 0.28 0.02 0.00 0.00 177.57 177.56 2o3o h SER 125 N 1.30 0.84 0.51 0.57 0.02 -1.08 -2.49 113.55 113.22 2o3o h SER 125 Ca 0.35 -0.57 -0.27 0.00 -0.84 0.00 0.00 61.79 60.46 2o3o h SER 125 Cb -0.11 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.19 2o3o h SER 125 CO -0.07 1.25 -1.20 0.77 -1.14 0.00 0.00 176.83 176.44 2o3o h SER 126 N 0.46 0.51 0.00 3.07 4.64 -0.49 -3.39 113.55 118.35 2o3o h SER 126 Ca -0.01 -0.51 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 2o3o h SER 126 Cb 1.14 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2o3o h SER 126 CO 0.12 1.37 -0.69 0.29 -0.87 0.00 0.00 176.83 177.05 2o3o n LYS 127 N -3.61 2.76 -4.76 4.77 5.02 0.51 -4.99 118.16 117.86 2o3o n LYS 127 Ca -0.09 -0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 2o3o n LYS 127 Cb 0.99 -1.08 -0.12 0.00 -0.02 0.00 0.00 35.03 34.79 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 -2.20 3.13 -0.03 -0.18 1.01 -0.94 -4.98 121.20 117.01 2o3o s ILE 128 Ca 0.03 -0.82 -0.37 0.00 0.00 0.00 0.00 60.65 59.49 2o3o s ILE 128 Cb 0.09 -2.27 -0.15 0.00 0.01 0.00 0.00 42.46 40.13 2o3o s ILE 128 CO 0.48 0.50 1.55 1.67 0.00 0.00 0.00 174.94 179.15 2o3o n GLN 129 N 2.01 1.39 -1.44 2.79 7.27 -1.26 -1.97 117.38 126.16 2o3o n GLN 129 Ca -0.17 0.50 -0.15 0.00 0.07 0.00 0.00 57.00 57.26 2o3o n GLN 129 Cb 0.52 -2.20 -0.06 0.00 2.41 0.00 0.00 30.24 30.91 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 3.93 -5.20 -0.34 1.69 10.43 -1.26 -4.88 116.55 120.91 2o3o n ASP 130 Ca 0.21 0.37 0.25 0.00 2.57 0.00 0.00 54.79 58.20 2o3o n ASP 130 Cb 0.20 -4.03 0.53 0.00 1.84 0.00 0.00 41.12 39.65 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 1.25 2.00 0.44 0.00 -1.56 0.60 103.07 105.80 2o3o h GLY 131 Ca -0.31 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2o3o h GLY 131 CO 0.45 -0.19 -0.14 1.05 0.00 0.00 0.00 176.54 177.71 2o3o h GLU 132 N 0.34 0.00 0.00 4.80 9.09 -1.84 -2.16 114.58 124.81 2o3o h GLU 132 Ca 0.63 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.04 2o3o h GLU 132 Cb 1.68 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.78 2o3o h GLU 132 CO -0.32 0.14 0.00 0.87 0.05 0.00 0.00 179.01 179.75 2o3o h LYS 133 N 0.00 0.00 -6.07 1.06 1.57 -1.26 -3.44 116.57 108.43 2o3o h LYS 133 Ca -0.00 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.13 2o3o h LYS 133 Cb 0.32 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.53 2o3o h LYS 133 CO 0.02 0.00 -0.59 0.71 -0.57 0.00 0.00 179.45 179.02 2o3o s TYR 134 N -3.50 3.24 -0.05 -1.35 1.51 -0.81 -0.61 117.35 115.78 2o3o s TYR 134 Ca 0.02 0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.27 2o3o s TYR 134 Cb 0.09 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2o3o s TYR 134 CO 0.39 0.54 -0.17 0.21 -1.11 0.00 0.00 175.55 175.41 2o3o s LYS 135 N -1.93 1.87 0.06 -0.62 2.20 0.45 -4.93 119.74 116.84 2o3o s LYS 135 Ca 0.25 -0.59 -0.34 0.00 -0.36 0.00 0.00 55.97 54.93 2o3o s LYS 135 Cb -0.12 -1.58 -0.13 0.00 -1.51 0.00 0.00 37.83 34.49 2o3o s LYS 135 CO 0.16 0.19 1.67 -0.11 -0.36 0.00 0.00 175.35 176.91 2o3o n LEU 136 N 3.31 3.14 -0.12 5.43 7.94 -1.26 -1.57 117.00 133.87 2o3o n LEU 136 Ca -0.19 1.05 -0.24 0.00 -1.11 0.00 0.00 56.01 55.51 2o3o n LEU 136 Cb 0.53 -1.39 -0.09 0.00 0.53 0.00 0.00 43.42 43.00 2o3o n LEU 136 CO 0.25 -0.24 -1.32 1.87 -1.11 0.00 0.00 177.39 176.84 2o3o n TRP 137 N 4.53 0.00 -3.64 1.96 -0.00 0.46 -4.89 117.44 115.86 2o3o n TRP 137 Ca 0.19 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.63 2o3o n TRP 137 Cb 0.28 -0.86 -0.07 0.00 -0.00 0.00 0.00 31.31 30.66 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 -2.44 0.65 -0.14 5.87 2.20 -1.11 -5.02 119.74 119.74 2o3o s LYS 138 Ca -0.33 1.18 -0.18 0.00 -0.36 0.00 0.00 55.97 56.27 2o3o s LYS 138 Cb 0.12 0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2o3o s LYS 138 CO 0.44 -0.15 0.48 0.08 -0.36 0.00 0.00 175.35 175.84 2o3o s VAL 139 N 1.75 5.17 -0.29 4.02 1.01 -1.26 -1.19 120.40 129.61 2o3o s VAL 139 Ca -0.09 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 62.82 2o3o s VAL 139 Cb -0.06 -3.82 0.06 0.00 0.00 0.00 0.00 36.38 32.57 2o3o s VAL 139 CO -0.19 0.29 -0.02 -0.62 0.00 0.00 0.00 175.10 174.55 2o3o s ASP 140 N 0.76 4.76 0.06 3.32 -1.08 -0.22 -4.99 116.67 119.29 2o3o s ASP 140 Ca 0.25 -1.38 -0.17 0.00 -0.52 0.00 0.00 52.55 50.73 2o3o s ASP 140 Cb -0.15 -1.66 -0.14 0.00 -1.46 0.00 0.00 42.92 39.50 2o3o s ASP 140 CO 0.10 -0.25 1.31 0.11 0.52 0.00 0.00 175.17 176.95 2o3o h LYS 141 N 7.91 0.56 0.09 4.34 1.57 -1.97 -2.75 116.57 126.31 2o3o h LYS 141 Ca -0.19 -0.37 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2o3o h LYS 141 Cb 1.05 0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2o3o h LYS 141 CO 0.52 0.98 -0.04 0.66 -0.57 0.00 0.00 179.45 181.00 2o3o h SER 142 N 0.21 -0.10 0.00 0.86 4.64 -1.95 -3.13 113.55 114.08 2o3o h SER 142 Ca 0.00 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2o3o h SER 142 Cb 0.98 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2o3o h SER 142 CO 0.08 0.36 0.00 0.29 -0.87 0.00 0.00 176.83 176.69 2o3o n LYS 143 N -4.93 0.71 -3.98 4.77 5.02 -1.25 -4.90 118.16 113.60 2o3o n LYS 143 Ca -0.09 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.81 2o3o n LYS 143 Cb 0.25 -1.44 0.01 0.00 -0.02 0.00 0.00 35.03 33.84 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 -0.94 -0.66 -3.50 1.97 5.02 -1.06 -4.93 118.16 114.07 2o3o n LYS 144 Ca 0.15 0.30 -0.16 0.00 -2.02 0.00 0.00 58.31 56.57 2o3o n LYS 144 Cb 0.07 -2.49 -0.05 0.00 -0.02 0.00 0.00 35.03 32.54 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 -6.63 1.11 -0.08 1.97 -1.05 -1.07 -2.62 118.70 110.34 2o3o s GLU 145 Ca 0.34 0.03 0.04 0.00 -0.15 0.00 0.00 54.97 55.23 2o3o s GLU 145 Cb -0.19 0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 34.01 2o3o s GLU 145 CO 0.95 -0.39 -0.20 0.42 0.95 0.00 0.00 175.26 176.99 2o3o s ILE 146 N -1.94 2.49 -0.08 1.83 1.01 -0.52 -1.06 121.20 122.94 2o3o s ILE 146 Ca -0.08 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 59.70 2o3o s ILE 146 Cb -0.00 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2o3o s ILE 146 CO 0.03 0.56 -0.16 -0.63 0.00 0.00 0.00 174.94 174.74 2o3o s ILE 147 N -0.12 2.82 -0.03 2.92 1.01 -0.33 -0.84 121.20 126.63 2o3o s ILE 147 Ca -0.03 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2o3o s ILE 147 Cb -0.14 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2o3o s ILE 147 CO 0.04 0.56 -0.25 -0.36 0.00 0.00 0.00 174.94 174.93 2o3o s PHE 148 N -0.21 2.37 -0.07 3.97 0.40 0.34 -0.41 117.98 124.37 2o3o s PHE 148 Ca -0.00 -0.50 -0.02 0.00 -0.60 0.00 0.00 56.93 55.81 2o3o s PHE 148 Cb -0.13 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.83 2o3o s PHE 148 CO 0.03 -0.08 0.01 -0.06 0.70 0.00 0.00 175.22 175.83 2o3o s PHE 149 N -0.50 3.18 0.69 0.36 0.08 -0.61 -1.81 117.98 119.38 2o3o s PHE 149 Ca 0.07 0.20 -0.15 0.00 0.12 0.00 0.00 56.93 57.17 2o3o s PHE 149 Cb -0.11 -1.78 0.02 0.00 -0.57 0.00 0.00 43.02 40.58 2o3o s PHE 149 CO 0.00 0.49 1.13 -1.14 -0.10 0.00 0.00 175.22 175.60 2o3o s GLN 150 N -1.02 2.57 0.30 0.44 0.74 0.18 -0.41 119.66 122.46 2o3o s GLN 150 Ca 0.15 1.47 0.11 0.00 0.05 0.00 0.00 55.36 57.14 2o3o s GLN 150 Cb -0.11 -1.91 -0.05 0.00 1.10 0.00 0.00 33.01 32.03 2o3o s GLN 150 CO 0.04 -1.44 -0.17 0.95 -0.55 0.00 0.00 175.29 174.11 2o3o s THR 151 N -2.29 2.43 -0.05 -0.34 -4.23 0.22 -1.56 115.64 109.83 2o3o s THR 151 Ca 0.68 -2.36 0.01 0.00 -1.18 0.00 0.00 61.69 58.84 2o3o s THR 151 Cb -0.22 -2.39 0.02 0.00 1.34 0.00 0.00 72.50 71.25 2o3o s THR 151 CO 0.43 -0.35 -0.04 -0.47 -0.54 0.00 0.00 174.62 173.65 2o3o s TYR 152 N -2.53 0.73 -1.67 3.99 5.04 0.36 -4.83 117.35 118.44 2o3o s TYR 152 Ca 0.31 -0.20 -0.18 0.00 -2.44 0.00 0.00 57.07 54.55 2o3o s TYR 152 Cb -0.03 -0.67 0.15 0.00 0.35 0.00 0.00 41.96 41.76 2o3o s TYR 152 CO 0.15 -0.20 0.79 0.39 -1.34 0.00 0.00 175.55 175.34 2o3o n GLU 153 N 4.12 -3.31 -2.07 4.97 1.02 -1.26 -0.44 120.64 123.67 2o3o n GLU 153 Ca -0.24 0.39 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 2o3o n GLU 153 Cb 0.51 -5.13 -0.01 0.00 -0.02 0.00 0.00 31.44 26.78 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 -1.38 0.12 3.12 0.62 0.00 -1.26 -5.03 105.19 101.37 2o3o n GLY 154 Ca 0.08 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.49 1.16 0.40 1.61 3.76 0.41 -5.10 115.29 115.04 2o3o s HIS 155 Ca 0.00 -0.31 -0.27 0.00 -0.15 0.00 0.00 55.06 54.33 2o3o s HIS 155 Cb 0.00 -0.71 -0.10 0.00 1.11 0.00 0.00 32.58 32.88 2o3o s HIS 155 CO 0.00 0.01 1.35 0.66 -0.85 0.00 0.00 174.74 175.91 2o3o n TYR 156 N 2.16 2.45 -3.11 1.40 0.53 -1.26 -0.49 117.16 118.84 2o3o n TYR 156 Ca -0.17 0.49 -0.45 0.00 -1.02 0.00 0.00 57.90 56.75 2o3o n TYR 156 Cb 0.55 -2.43 -0.02 0.00 -1.03 0.00 0.00 39.34 36.41 2o3o n TYR 156 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2o3o s ILE 157 N -1.16 5.20 0.18 -0.72 1.01 -0.60 -1.65 121.20 123.47 2o3o s ILE 157 Ca 0.58 -2.20 -0.32 0.00 0.00 0.00 0.00 60.65 58.71 2o3o s ILE 157 Cb -0.51 -4.67 -0.12 0.00 0.01 0.00 0.00 42.46 37.18 2o3o s ILE 157 CO 0.60 -1.32 1.75 -1.22 0.00 0.00 0.00 174.94 174.75 2o3o n TYR 158 N 5.17 2.70 -4.13 3.97 4.02 0.26 -4.70 117.16 124.45 2o3o n TYR 158 Ca 0.22 -0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.99 2o3o n TYR 158 Cb 0.47 -2.68 -0.08 0.00 -0.02 0.00 0.00 39.34 37.02 2o3o n TYR 158 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 2o3o s GLN 159 N 1.56 1.41 0.28 -0.72 -2.07 -1.26 -4.33 119.66 114.54 2o3o s GLN 159 Ca 0.77 -1.55 -0.17 0.00 -1.82 0.00 0.00 55.36 52.59 2o3o s GLN 159 Cb -0.51 0.35 -0.09 0.00 -1.09 0.00 0.00 33.01 31.68 2o3o s GLN 159 CO 0.34 -0.52 0.73 0.15 -1.32 0.00 0.00 175.29 174.66 2o3o s LYS 160 N -3.96 4.09 -0.21 9.60 1.02 -1.26 -5.00 119.74 124.00 2o3o s LYS 160 Ca 0.33 0.74 0.15 0.00 0.02 0.00 0.00 55.97 57.21 2o3o s LYS 160 Cb 0.04 -2.60 0.60 0.00 -0.52 0.00 0.00 37.83 35.35 2o3o s LYS 160 CO 0.13 0.24 1.52 0.25 -0.92 0.00 0.00 175.35 176.58 2o3o n THR 161 N 0.03 2.47 -0.05 2.17 -2.24 -1.26 -4.69 114.28 110.71 2o3o n THR 161 Ca 0.01 -1.86 -0.21 0.00 -2.27 0.00 0.00 64.05 59.73 2o3o n THR 161 Cb 0.52 -0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.35 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 2.19 0.17 -5.19 3.42 3.32 -1.96 -3.49 116.42 114.87 2o3o h ASP 162 Ca 0.05 -0.71 -0.12 0.00 0.02 0.00 0.00 57.03 56.27 2o3o h ASP 162 Cb 1.65 -0.05 -0.16 0.00 0.22 0.00 0.00 39.33 40.99 2o3o h ASP 162 CO 0.34 1.54 -0.61 0.54 -1.72 0.00 0.00 179.24 179.33 2o3o s ASN 163 N -6.88 0.37 0.51 6.45 6.03 -1.26 -5.06 114.94 115.11 2o3o s ASN 163 Ca -0.25 -0.85 0.31 0.00 -1.03 0.00 0.00 52.86 51.04 2o3o s ASN 163 Cb 0.05 0.22 1.15 0.00 -3.03 0.00 0.00 41.25 39.64 2o3o s ASN 163 CO 0.67 -0.59 1.90 -0.65 -2.03 0.00 0.00 177.10 176.40 2o3o h PRO 164 N 3.24 0.00 0.55 3.55 0.11 -1.96 -3.25 132.00 134.24 2o3o h PRO 164 Ca -0.34 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.75 2o3o h PRO 164 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2o3o h PRO 164 CO 0.61 0.00 -0.31 0.77 -0.21 0.00 0.00 178.00 178.86 2o3o h SER 165 N 0.00 -0.77 -1.32 -2.05 0.02 -1.99 -3.44 113.55 104.01 2o3o h SER 165 Ca 0.00 0.04 -0.49 0.00 -0.84 0.00 0.00 61.79 60.50 2o3o h SER 165 Cb 0.60 0.22 -0.07 0.00 0.14 0.00 0.00 62.40 63.28 2o3o h SER 165 CO 0.00 -0.50 1.19 0.20 -1.14 0.00 0.00 176.83 176.58 2o3o s ASN 166 N -4.50 5.91 0.00 3.07 -0.87 -1.23 -5.10 114.94 112.22 2o3o s ASN 166 Ca -0.17 -0.84 0.00 0.00 -1.57 0.00 0.00 52.86 50.28 2o3o s ASN 166 Cb 0.04 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.71 2o3o s ASN 166 CO 0.63 -2.02 0.00 2.30 -2.57 0.00 0.00 177.10 175.43 2o3o n ILE 168 N 7.12 0.00 -2.74 0.60 -5.35 -1.26 -4.40 119.36 113.33 2o3o n ILE 168 Ca 0.28 0.00 -0.07 0.00 -0.27 0.00 0.00 62.75 62.69 2o3o n ILE 168 Cb 0.50 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 -0.33 3.19 3.28 0.00 -1.26 -4.01 105.19 106.07 2o3o n GLY 169 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 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 0.66 0.97 -0.09 1.61 -0.21 -1.03 -0.65 119.66 120.92 2o3o s GLN 170 Ca 0.31 -1.45 0.01 0.00 0.02 0.00 0.00 55.36 54.24 2o3o s GLN 170 Cb 0.19 -0.07 0.02 0.00 1.00 0.00 0.00 33.01 34.15 2o3o s GLN 170 CO -0.20 -0.15 -0.09 0.08 -2.12 0.00 0.00 175.29 172.81 2o3o s VAL 171 N -3.79 1.07 -0.28 1.09 1.01 -0.75 -1.05 120.40 117.71 2o3o s VAL 171 Ca 0.21 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.84 2o3o s VAL 171 Cb 0.07 -1.04 0.06 0.00 0.00 0.00 0.00 36.38 35.46 2o3o s VAL 171 CO 0.01 0.36 -0.07 -0.69 0.00 0.00 0.00 175.10 174.71 2o3o s VAL 172 N 1.30 2.47 0.20 2.92 1.01 -0.29 -0.51 120.40 127.50 2o3o s VAL 172 Ca -0.03 -1.57 -0.29 0.00 0.00 0.00 0.00 61.98 60.09 2o3o s VAL 172 Cb -0.14 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 2o3o s VAL 172 CO -0.04 -0.07 0.91 -0.76 0.00 0.00 0.00 175.10 175.14 2o3o s LEU 173 N 1.15 4.61 -0.12 3.92 1.43 -0.02 -1.61 118.68 128.04 2o3o s LEU 173 Ca -0.07 1.86 -0.01 0.00 -1.03 0.00 0.00 54.13 54.88 2o3o s LEU 173 Cb -0.20 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2o3o s LEU 173 CO -0.04 0.13 -0.10 -1.00 0.23 0.00 0.00 176.35 175.57 2o3o s HIS 174 N -0.94 2.88 0.34 0.29 3.76 -0.83 -1.43 115.29 119.35 2o3o s HIS 174 Ca 0.41 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.98 2o3o s HIS 174 Cb -0.25 -1.85 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 2o3o s HIS 174 CO 0.31 -0.07 0.09 -0.51 -0.85 0.00 0.00 174.74 173.70 2o3o s LEU 175 N 0.15 3.15 -0.12 0.89 1.43 -1.08 -0.48 118.68 122.62 2o3o s LEU 175 Ca -0.05 -0.86 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 2o3o s LEU 175 Cb -0.14 -1.58 0.03 0.00 0.03 0.00 0.00 46.19 44.52 2o3o s LEU 175 CO 0.04 -0.27 0.32 0.21 0.23 0.00 0.00 176.35 176.89 2o3o s ASN 176 N -3.79 -0.34 0.74 2.29 2.47 -1.12 -4.87 114.94 110.32 2o3o s ASN 176 Ca 0.36 0.65 0.00 0.00 0.42 0.00 0.00 52.86 54.30 2o3o s ASN 176 Cb -0.02 0.65 0.00 0.00 -1.45 0.00 0.00 41.25 40.44 2o3o s ASN 176 CO 0.21 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.09 2o3o n GLY 177 N 2.98 1.85 3.46 1.21 0.00 -1.26 -3.80 105.19 109.62 2o3o n GLY 177 Ca -0.14 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 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 3.15 -0.05 1.61 1.02 -1.26 -4.88 119.74 119.33 2o3o s LYS 178 Ca 0.00 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 55.06 2o3o s LYS 178 Cb 0.00 -4.29 0.01 0.00 -0.52 0.00 0.00 37.83 33.03 2o3o s LYS 178 CO 0.00 -1.83 0.08 0.09 -0.92 0.00 0.00 175.35 172.77 2o3o n ASN 179 N 7.67 -0.79 -3.68 2.83 3.02 -1.26 -4.86 115.26 118.19 2o3o n ASN 179 Ca -0.01 -0.01 -0.18 0.00 -0.03 0.00 0.00 54.58 54.34 2o3o n ASN 179 Cb 0.46 -0.22 -0.17 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.30 -0.04 -0.27 3.52 2.02 -1.25 -2.30 118.70 120.08 2o3o s GLU 180 Ca 0.04 0.41 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 2o3o s GLU 180 Cb -0.00 -0.41 -0.01 0.00 0.10 0.00 0.00 34.13 33.81 2o3o s GLU 180 CO 0.10 -0.30 1.43 0.08 0.02 0.00 0.00 175.26 176.59 2o3o s VAL 181 N 2.06 3.96 -0.24 2.63 1.01 -0.92 -2.80 120.40 126.11 2o3o s VAL 181 Ca 0.03 1.08 -0.04 0.00 0.00 0.00 0.00 61.98 63.05 2o3o s VAL 181 Cb -0.12 -3.97 -0.17 0.00 0.00 0.00 0.00 36.38 32.11 2o3o s VAL 181 CO -0.04 -0.40 -0.15 0.52 0.00 0.00 0.00 175.10 175.03 2o3o n VAL 182 N 6.29 1.54 -4.25 2.92 0.31 0.37 -2.05 118.33 123.47 2o3o n VAL 182 Ca 0.16 -0.51 -0.17 0.00 -0.01 0.00 0.00 64.34 63.81 2o3o n VAL 182 Cb 0.46 -1.60 -0.07 0.00 -0.91 0.00 0.00 33.84 31.72 2o3o n VAL 182 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2o3o n SER 183 N -3.58 -0.57 -3.58 4.52 3.41 -1.24 -0.81 113.62 111.77 2o3o n SER 183 Ca -0.45 -2.87 -0.15 0.00 -0.26 0.00 0.00 58.87 55.13 2o3o n SER 183 Cb 0.96 1.42 -0.06 0.00 -0.26 0.00 0.00 64.21 66.27 2o3o n SER 183 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2o3o s TYR 184 N -3.15 -0.48 -0.10 7.33 -0.85 -1.26 -1.96 117.35 116.87 2o3o s TYR 184 Ca 0.34 0.70 -0.06 0.00 -0.52 0.00 0.00 57.07 57.53 2o3o s TYR 184 Cb 0.02 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.65 2o3o s TYR 184 CO 0.24 -0.59 0.13 -0.51 -1.52 0.00 0.00 175.55 173.29 2o3o s ASP 185 N -1.56 6.24 -0.01 -0.18 1.01 -0.63 -4.19 116.67 117.34 2o3o s ASP 185 Ca -0.09 0.41 0.01 0.00 0.71 0.00 0.00 52.55 53.59 2o3o s ASP 185 Cb -0.01 -1.98 0.01 0.00 1.01 0.00 0.00 42.92 41.94 2o3o s ASP 185 CO 0.04 0.39 -0.02 -1.58 0.21 0.00 0.00 175.17 174.21 2o3o s GLN 186 N -1.12 0.24 0.09 8.23 0.74 0.58 -1.13 119.66 127.30 2o3o s GLN 186 Ca 0.16 -0.03 0.05 0.00 0.05 0.00 0.00 55.36 55.59 2o3o s GLN 186 Cb -0.12 -0.31 -0.03 0.00 1.10 0.00 0.00 33.01 33.64 2o3o s GLN 186 CO 0.05 -0.02 -0.12 0.95 -0.55 0.00 0.00 175.29 175.61 2o3o s THR 187 N 0.36 1.05 -0.12 -0.34 -4.23 -0.21 -1.55 115.64 110.61 2o3o s THR 187 Ca -0.03 -1.52 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 2o3o s THR 187 Cb -0.06 -1.26 0.04 0.00 1.34 0.00 0.00 72.50 72.56 2o3o s THR 187 CO -0.01 -0.42 0.28 -0.89 -0.54 0.00 0.00 174.62 173.05 2o3o s THR 188 N -1.96 -0.03 -0.02 3.99 2.01 -1.26 -2.46 115.64 115.92 2o3o s THR 188 Ca 0.03 0.10 -0.07 0.00 0.31 0.00 0.00 61.69 62.06 2o3o s THR 188 Cb -0.06 -0.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.98 2o3o s THR 188 CO 0.01 0.04 0.25 -0.76 -0.69 0.00 0.00 174.62 173.47 2o3o s LEU 189 N 0.99 4.38 0.28 4.42 1.43 -1.26 0.46 118.68 129.38 2o3o s LEU 189 Ca -0.07 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 2o3o s LEU 189 Cb -0.08 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 2o3o s LEU 189 CO -0.07 0.29 0.19 -1.83 0.23 0.00 0.00 176.35 175.17 2o3o s GLU 190 N -1.57 1.52 -1.27 1.70 -1.05 -0.32 -4.88 118.70 112.83 2o3o s GLU 190 Ca 0.25 -1.85 -0.18 0.00 -0.15 0.00 0.00 54.97 53.03 2o3o s GLU 190 Cb -0.13 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.75 2o3o s GLU 190 CO 0.14 -0.50 0.57 2.41 0.95 0.00 0.00 175.26 178.83 2o3o n THR 191 N -0.49 -3.66 -1.96 1.83 -1.04 -1.26 -1.37 114.28 106.33 2o3o n THR 191 Ca 0.04 -0.69 -0.38 0.00 -2.04 0.00 0.00 64.05 60.98 2o3o n THR 191 Cb 0.64 -2.92 0.02 0.00 -1.82 0.00 0.00 70.33 66.26 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 -3.71 2.52 -0.09 -1.42 0.40 -1.26 -4.30 117.98 110.11 2o3o s PHE 192 Ca 0.31 1.43 -0.07 0.00 -0.60 0.00 0.00 56.93 58.00 2o3o s PHE 192 Cb -0.14 -3.65 0.03 0.00 0.51 0.00 0.00 43.02 39.76 2o3o s PHE 192 CO 0.92 -2.38 0.23 0.15 0.70 0.00 0.00 175.22 174.84 2o3o s LYS 193 N -2.79 0.25 -0.22 0.44 1.02 -0.40 -4.97 119.74 113.07 2o3o s LYS 193 Ca 0.68 0.37 -0.18 0.00 0.02 0.00 0.00 55.97 56.86 2o3o s LYS 193 Cb -0.36 0.07 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 2o3o s LYS 193 CO 0.44 -0.07 0.52 -0.65 -0.92 0.00 0.00 175.35 174.67 2o3o s GLN 194 N 0.41 4.15 -0.04 1.68 -0.21 -1.26 -0.76 119.66 123.62 2o3o s GLN 194 Ca -0.02 0.39 0.13 0.00 0.02 0.00 0.00 55.36 55.87 2o3o s GLN 194 Cb -0.04 -3.59 -0.19 0.00 1.00 0.00 0.00 33.01 30.19 2o3o s GLN 194 CO -0.02 -0.22 0.24 0.44 -2.12 0.00 0.00 175.29 173.61 2o3o n ILE 195 N 4.75 0.18 -3.15 1.08 -5.35 -0.13 -4.94 119.36 111.79 2o3o n ILE 195 Ca -0.04 -0.35 0.04 0.00 -0.27 0.00 0.00 62.75 62.13 2o3o n ILE 195 Cb 0.50 0.01 -0.01 0.00 -1.74 0.00 0.00 39.64 38.41 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 -2.79 0.47 0.45 6.28 0.74 -1.22 -4.99 119.66 118.59 2o3o s GLN 196 Ca -0.05 0.70 -0.23 0.00 0.05 0.00 0.00 55.36 55.83 2o3o s GLN 196 Cb 0.07 0.37 -0.08 0.00 1.10 0.00 0.00 33.01 34.48 2o3o s GLN 196 CO 0.54 -0.64 1.12 -1.59 -0.55 0.00 0.00 175.29 174.17 2o3o s LYS 197 N 2.88 3.85 0.17 1.67 0.00 -1.26 -2.57 119.74 124.48 2o3o s LYS 197 Ca 0.15 1.65 -0.20 0.00 0.00 0.00 0.00 55.97 57.57 2o3o s LYS 197 Cb -0.12 -2.39 0.05 0.00 0.00 0.00 0.00 37.83 35.37 2o3o s LYS 197 CO -0.21 -0.44 0.56 -1.21 0.00 0.00 0.00 175.35 174.05 2o3o s GLU 198 N -2.72 1.31 -0.14 1.78 2.02 0.12 -4.94 118.70 116.12 2o3o s GLU 198 Ca 0.63 -0.65 -0.28 0.00 0.02 0.00 0.00 54.97 54.68 2o3o s GLU 198 Cb -0.25 0.55 -0.01 0.00 0.10 0.00 0.00 34.13 34.52 2o3o s GLU 198 CO 0.31 -0.56 0.95 0.45 0.02 0.00 0.00 175.26 176.42 2o3o s SER 199 N -2.80 7.13 0.44 -0.19 0.15 -1.26 0.12 113.70 117.29 2o3o s SER 199 Ca 0.04 1.39 -0.02 0.00 0.70 0.00 0.00 55.95 58.07 2o3o s SER 199 Cb -0.01 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 2o3o s SER 199 CO -0.09 -0.46 0.69 -0.76 1.20 0.00 0.00 173.24 173.83 2o3o s LEU 200 N 2.19 3.71 0.43 3.45 1.43 -0.09 -2.64 118.68 127.16 2o3o s LEU 200 Ca 0.44 0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 53.98 2o3o s LEU 200 Cb -0.17 -3.44 -0.07 0.00 0.03 0.00 0.00 46.19 42.54 2o3o s LEU 200 CO 0.15 -0.58 0.81 0.27 0.23 0.00 0.00 176.35 177.23 2o3o s ILE 201 N -2.58 4.73 0.69 -0.59 -4.36 -0.14 -4.21 121.20 114.75 2o3o s ILE 201 Ca 0.46 0.74 -0.12 0.00 -0.26 0.00 0.00 60.65 61.47 2o3o s ILE 201 Cb -0.10 -3.73 0.01 0.00 1.25 0.00 0.00 42.46 39.89 2o3o s ILE 201 CO 0.40 -0.56 1.08 0.42 0.24 0.00 0.00 174.94 176.52 2o3o s THR 202 N -2.43 3.62 -0.31 8.37 -4.23 -1.26 -4.83 115.64 114.58 2o3o s THR 202 Ca 0.53 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2o3o s THR 202 Cb -0.10 -3.19 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2o3o s THR 202 CO 0.31 -0.60 0.00 -0.62 -0.54 0.00 0.00 174.62 173.17 2o3o n GLU 203 N -2.89 0.00 0.00 3.99 1.02 -1.12 -1.02 120.64 120.62 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 0.53 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.67 0.00 -0.24 1.62 8.00 -1.26 -1.65 116.55 123.70 2o3o n ASP 205 Ca 0.00 0.00 0.03 0.00 0.71 0.00 0.00 54.79 55.53 2o3o n ASP 205 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 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 0.94 -0.17 2.24 0.00 -1.40 0.24 119.26 121.11 2o3o h ALA 206 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2o3o h ALA 206 Cb 0.00 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2o3o h ALA 206 CO 0.00 -0.20 -0.20 0.28 0.00 0.00 0.00 179.25 179.13 2o3o h VAL 207 N 0.43 1.34 -0.74 0.00 2.07 -1.59 -2.75 116.25 115.01 2o3o h VAL 207 Ca 0.37 -1.38 0.06 0.00 0.82 0.00 0.00 66.70 66.57 2o3o h VAL 207 Cb 0.52 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 2o3o h VAL 207 CO -0.37 0.41 0.49 -0.33 0.02 0.00 0.00 177.57 177.79 2o3o h GLU 208 N 0.07 0.79 -0.23 1.57 5.08 -1.62 -1.78 114.58 118.45 2o3o h GLU 208 Ca 0.02 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2o3o h GLU 208 Cb 0.75 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2o3o h GLU 208 CO 0.05 0.52 0.06 1.25 -1.00 0.00 0.00 179.01 179.89 2o3o h LEU 209 N 0.81 0.35 -0.06 1.33 5.85 -0.47 0.29 115.31 123.41 2o3o h LEU 209 Ca 0.32 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2o3o h LEU 209 Cb 0.21 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2o3o h LEU 209 CO -0.10 0.48 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.16 2o3o h LEU 210 N 0.20 -0.75 -0.22 2.25 3.38 -1.11 -0.76 115.31 118.31 2o3o h LEU 210 Ca 0.07 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.20 2o3o h LEU 210 Cb 0.26 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 2o3o h LEU 210 CO -0.00 -0.31 -0.08 0.22 0.09 0.00 0.00 178.44 178.36 2o3o h TYR 211 N -0.35 -0.19 -0.98 1.13 3.20 -1.11 -1.68 116.97 117.00 2o3o h TYR 211 Ca 0.08 0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.19 2o3o h TYR 211 Cb 0.46 0.12 -0.09 0.00 1.54 0.00 0.00 36.73 38.76 2o3o h TYR 211 CO -0.31 -0.13 0.62 -0.92 -1.64 0.00 0.00 178.16 175.78 2o3o h TYR 212 N -0.04 0.77 -0.37 -3.82 3.20 0.27 0.54 116.97 117.52 2o3o h TYR 212 Ca 0.11 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2o3o h TYR 212 Cb 0.21 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.25 2o3o h TYR 212 CO -0.25 0.16 0.00 1.04 -1.64 0.00 0.00 178.16 177.46 2o3o n GLN 213 N -4.64 2.29 -1.48 1.82 6.02 -0.36 -4.91 117.38 116.12 2o3o n GLN 213 Ca 0.23 -1.51 -0.08 0.00 -0.01 0.00 0.00 57.00 55.62 2o3o n GLN 213 Cb 0.70 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.44 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 0.56 -3.71 0.15 1.08 5.15 0.18 -4.93 115.26 113.74 2o3o n ASN 214 Ca 0.14 0.15 0.08 0.00 -0.60 0.00 0.00 54.58 54.35 2o3o n ASN 214 Cb 0.47 -2.23 0.06 0.00 -0.53 0.00 0.00 39.78 37.55 2o3o n ASN 214 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2o3o h GLN 215 N 0.00 0.00 -5.64 1.20 1.08 -1.65 -3.47 115.11 106.64 2o3o h GLN 215 Ca -0.18 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.42 2o3o h GLN 215 Cb 0.70 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 28.04 2o3o h GLN 215 CO 0.24 0.15 -0.32 -0.51 -0.95 0.00 0.00 178.83 177.45 2o3o s LEU 216 N -6.00 4.32 0.64 1.46 1.43 -1.26 -5.02 118.68 114.25 2o3o s LEU 216 Ca 0.03 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 2o3o s LEU 216 Cb 0.07 -2.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2o3o s LEU 216 CO 0.74 0.19 1.03 -0.54 0.23 0.00 0.00 176.35 178.00 2o3o s LYS 217 N -0.10 3.31 1.03 1.70 3.01 -1.26 -5.03 119.74 122.40 2o3o s LYS 217 Ca 0.18 0.58 -0.11 0.00 -1.01 0.00 0.00 55.97 55.61 2o3o s LYS 217 Cb -0.14 -2.08 0.21 0.00 -1.01 0.00 0.00 37.83 34.81 2o3o s LYS 217 CO 0.06 -0.72 1.08 -1.21 0.51 0.00 0.00 175.35 175.08 2o3o s GLU 218 N -5.21 0.13 -0.88 1.68 2.02 -1.26 -3.60 118.70 111.59 2o3o s GLU 218 Ca 0.56 1.13 -0.02 0.00 0.02 0.00 0.00 54.97 56.66 2o3o s GLU 218 Cb -0.11 -1.66 0.01 0.00 0.10 0.00 0.00 34.13 32.48 2o3o s GLU 218 CO 0.52 -3.10 0.08 0.66 0.02 0.00 0.00 175.26 173.44 2o3o n TYR 219 N -4.51 -1.59 -3.18 1.61 4.02 -0.42 -4.93 117.16 108.16 2o3o n TYR 219 Ca 0.07 0.07 -0.27 0.00 -0.01 0.00 0.00 57.90 57.77 2o3o n TYR 219 Cb 0.53 -2.43 -0.02 0.00 -0.02 0.00 0.00 39.34 37.41 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 -2.13 6.35 -0.09 7.72 1.04 -1.24 -4.76 113.70 120.59 2o3o s SER 220 Ca 0.06 0.68 0.04 0.00 0.48 0.00 0.00 55.95 57.21 2o3o s SER 220 Cb -0.03 -2.13 -0.01 0.00 0.10 0.00 0.00 66.02 63.95 2o3o s SER 220 CO 0.08 -0.33 -0.21 -0.89 0.98 0.00 0.00 173.24 172.87 2o3o s THR 221 N -2.33 2.34 -0.67 2.02 2.01 -0.68 -1.03 115.64 117.30 2o3o s THR 221 Ca 0.43 -0.94 -0.22 0.00 0.31 0.00 0.00 61.69 61.27 2o3o s THR 221 Cb -0.10 -1.90 0.07 0.00 0.01 0.00 0.00 72.50 70.58 2o3o s THR 221 CO 0.36 0.56 0.98 -0.69 -0.69 0.00 0.00 174.62 175.13 2o3o s VAL 222 N 0.12 4.33 0.22 3.82 1.01 0.45 -0.84 120.40 129.51 2o3o s VAL 222 Ca -0.11 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.47 2o3o s VAL 222 Cb -0.16 -4.69 -0.03 0.00 0.00 0.00 0.00 36.38 31.49 2o3o s VAL 222 CO 0.06 -1.47 1.55 0.11 0.00 0.00 0.00 175.10 175.36 2o3o h LYS 223 N 9.55 0.43 -2.53 2.72 1.79 -1.25 -3.40 116.57 123.88 2o3o h LYS 223 Ca -0.27 -0.26 0.08 0.00 -2.18 0.00 0.00 60.65 58.02 2o3o h LYS 223 Cb 1.07 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.62 2o3o h LYS 223 CO 1.18 0.86 0.40 -1.54 -1.08 0.00 0.00 179.45 179.27 2o3o s SER 224 N -6.90 -0.39 -0.33 0.86 1.04 -1.09 -4.98 113.70 101.91 2o3o s SER 224 Ca -0.06 -0.09 -0.01 0.00 0.48 0.00 0.00 55.95 56.27 2o3o s SER 224 Cb 0.12 0.48 0.13 0.00 0.10 0.00 0.00 66.02 66.84 2o3o s SER 224 CO 0.82 -0.79 0.19 0.00 0.98 0.00 0.00 173.24 174.43 2o3o s LYS 226 N 1.42 3.48 0.10 0.00 -0.14 -0.05 -4.84 119.74 119.71 2o3o s LYS 226 Ca 0.15 -0.39 -0.03 0.00 -1.36 0.00 0.00 55.97 54.34 2o3o s LYS 226 Cb -0.21 -2.98 -0.05 0.00 -1.68 0.00 0.00 37.83 32.92 2o3o s LYS 226 CO -0.12 0.55 0.31 0.12 -0.76 0.00 0.00 175.35 175.46 2o3o s PHE 227 N -1.60 3.50 -0.74 3.18 2.19 -1.26 0.24 117.98 123.48 2o3o s PHE 227 Ca 0.36 0.46 0.00 0.00 0.33 0.00 0.00 56.93 58.08 2o3o s PHE 227 Cb -0.12 -1.92 0.00 0.00 -1.31 0.00 0.00 43.02 39.66 2o3o s PHE 227 CO 0.28 0.51 0.00 0.41 1.83 0.00 0.00 175.22 178.24 2o3o n GLY 228 N 0.28 -0.62 3.14 13.12 0.00 -0.81 -4.44 105.19 115.85 2o3o n GLY 228 Ca -0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.00 1.01 0.10 1.61 1.51 -0.66 0.04 117.35 117.96 2o3o s TYR 229 Ca 0.00 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.57 2o3o s TYR 229 Cb 0.00 -0.57 -0.03 0.00 -0.11 0.00 0.00 41.96 41.25 2o3o s TYR 229 CO 0.00 -0.00 -0.14 0.14 -1.11 0.00 0.00 175.55 174.44 2o3o s VAL 230 N -1.73 1.18 0.04 0.71 -7.23 -0.71 0.92 120.40 113.57 2o3o s VAL 230 Ca -0.02 -1.52 -0.30 0.00 -1.81 0.00 0.00 61.98 58.33 2o3o s VAL 230 Cb -0.07 -1.30 -0.05 0.00 0.56 0.00 0.00 36.38 35.51 2o3o s VAL 230 CO 0.01 -0.35 1.23 0.00 -0.31 0.00 0.00 175.10 175.68 2o3o s ALA 231 N -1.78 3.43 0.06 1.32 0.00 -1.26 -1.62 121.76 121.91 2o3o s ALA 231 Ca 0.03 0.84 -0.15 0.00 0.00 0.00 0.00 51.96 52.68 2o3o s ALA 231 Cb -0.07 -3.47 -0.24 0.00 0.00 0.00 0.00 23.12 19.34 2o3o s ALA 231 CO 0.02 -0.53 1.16 1.96 0.00 0.00 0.00 175.76 178.37 2o3o h GLN 232 N 6.97 0.64 0.00 0.00 4.20 -1.55 -3.47 115.11 121.90 2o3o h GLN 232 Ca -0.40 -0.72 0.00 0.00 0.06 0.00 0.00 58.65 57.59 2o3o h GLN 232 Cb 1.20 0.21 0.00 0.00 0.30 0.00 0.00 27.48 29.19 2o3o h GLN 232 CO 0.83 1.30 0.00 2.48 -0.67 0.00 0.00 178.83 182.77 2o3o n TYR 233 N -3.91 0.00 -3.71 2.96 0.18 -1.26 -5.09 117.16 106.33 2o3o n TYR 233 Ca -0.11 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.46 2o3o n TYR 233 Cb 0.86 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.79 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 2.75 -0.45 -3.48 0.04 -1.26 -3.68 135.00 126.92 2o3o s PRO 234 Ca 0.00 -1.29 0.06 0.00 0.04 0.00 0.00 61.00 59.81 2o3o s PRO 234 Cb 0.00 -2.51 0.22 0.00 0.04 0.00 0.00 34.50 32.25 2o3o s PRO 234 CO 0.00 0.04 0.65 1.28 0.04 0.00 0.00 177.00 179.00 2o3o n LEU 235 N -1.45 -1.70 0.00 -3.56 4.77 0.98 -4.99 117.00 111.06 2o3o n LEU 235 Ca -0.01 -3.82 0.00 0.00 -0.03 0.00 0.00 56.01 52.15 2o3o n LEU 235 Cb 0.60 0.71 0.00 0.00 -2.33 0.00 0.00 43.42 42.40 2o3o n LEU 235 CO 0.42 1.98 0.00 0.41 -1.33 0.00 0.00 177.39 178.87 2o3o n THR 236 N 2.09 0.00 0.23 -5.08 -1.04 -1.26 -1.70 114.28 107.52 2o3o n THR 236 Ca 0.18 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.35 2o3o n THR 236 Cb 0.56 0.00 0.69 0.00 -1.82 0.00 0.00 70.33 69.76 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 9.64 0.00 -3.00 8.00 0.87 -1.98 -3.41 113.55 123.67 2o3o h SER 237 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2o3o h SER 237 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2o3o h SER 237 CO 0.00 0.00 0.83 -0.89 -0.53 0.00 0.00 176.83 176.24 2o3o s THR 238 N -4.26 4.41 -0.10 2.23 2.01 -0.69 -3.37 115.64 115.87 2o3o s THR 238 Ca -0.03 1.71 -0.03 0.00 0.31 0.00 0.00 61.69 63.65 2o3o s THR 238 Cb 0.10 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 2o3o s THR 238 CO 0.34 -0.12 0.02 -1.10 -0.69 0.00 0.00 174.62 173.07 2o3o s GLN 239 N 3.16 3.15 -0.12 4.92 -1.52 -0.46 -0.01 119.66 128.79 2o3o s GLN 239 Ca 0.52 -0.37 0.00 0.00 -1.95 0.00 0.00 55.36 53.56 2o3o s GLN 239 Cb -0.20 -2.88 -0.02 0.00 -0.22 0.00 0.00 33.01 29.69 2o3o s GLN 239 CO 0.13 0.66 -0.14 0.08 -0.25 0.00 0.00 175.29 175.78 2o3o s VAL 240 N -0.74 3.02 -0.00 1.09 1.01 -1.24 -1.70 120.40 121.84 2o3o s VAL 240 Ca 0.12 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.48 2o3o s VAL 240 Cb -0.12 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 2o3o s VAL 240 CO 0.02 0.53 -0.19 -0.76 0.00 0.00 0.00 175.10 174.71 2o3o s LEU 241 N 0.21 2.49 0.01 3.92 1.43 0.82 -1.30 118.68 126.26 2o3o s LEU 241 Ca -0.08 -0.37 0.07 0.00 -1.03 0.00 0.00 54.13 52.71 2o3o s LEU 241 Cb -0.15 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.57 2o3o s LEU 241 CO 0.05 0.30 -0.19 0.00 0.23 0.00 0.00 176.35 176.74 2o3o s ALA 242 N -0.78 2.50 0.51 4.21 0.00 -0.64 -2.26 121.76 125.30 2o3o s ALA 242 Ca 0.12 -1.14 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 2o3o s ALA 242 Cb -0.10 -0.73 -0.07 0.00 0.00 0.00 0.00 23.12 22.22 2o3o s ALA 242 CO 0.02 0.56 1.11 -1.25 0.00 0.00 0.00 175.76 176.20 2o3o s PRO 243 N -1.11 3.55 0.07 0.00 0.04 -1.26 -1.74 135.00 134.55 2o3o s PRO 243 Ca 0.13 1.58 -0.09 0.00 0.04 0.00 0.00 61.00 62.65 2o3o s PRO 243 Cb -0.10 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2o3o s PRO 243 CO 0.03 -0.68 0.20 0.14 0.04 0.00 0.00 177.00 176.73 2o3o s VAL 244 N -1.78 0.13 -0.16 -0.36 -7.23 0.11 -2.30 120.40 108.81 2o3o s VAL 244 Ca 0.69 -1.03 -0.04 0.00 -1.81 0.00 0.00 61.98 59.79 2o3o s VAL 244 Cb -0.23 -1.14 -0.03 0.00 0.56 0.00 0.00 36.38 35.55 2o3o s VAL 244 CO 0.27 -0.57 -0.03 0.26 -0.31 0.00 0.00 175.10 174.72 2o3o s TRP 245 N -3.25 3.04 -0.28 2.82 0.52 0.17 -1.93 118.94 120.01 2o3o s TRP 245 Ca 0.00 -0.31 -0.08 0.00 0.02 0.00 0.00 56.10 55.74 2o3o s TRP 245 Cb 0.02 -1.98 -0.01 0.00 -1.15 0.00 0.00 33.47 30.35 2o3o s TRP 245 CO -0.08 -0.06 0.10 0.50 0.02 0.00 0.00 176.95 177.43 2o3o s ARG 246 N 0.46 3.38 -0.23 4.98 3.00 0.14 -1.58 118.95 129.10 2o3o s ARG 246 Ca -0.03 -0.67 0.01 0.00 -1.00 0.00 0.00 55.73 54.04 2o3o s ARG 246 Cb -0.14 -3.41 0.03 0.00 0.00 0.00 0.00 34.95 31.43 2o3o s ARG 246 CO 0.03 -0.34 -0.13 0.42 0.00 0.00 0.00 175.30 175.28 2o3o s ILE 247 N 1.58 2.38 -0.19 4.11 1.01 0.09 -0.87 121.20 129.31 2o3o s ILE 247 Ca 0.05 -1.15 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 2o3o s ILE 247 Cb -0.16 -2.19 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2o3o s ILE 247 CO 0.04 0.27 0.27 -0.89 0.00 0.00 0.00 174.94 174.63 2o3o s THR 248 N 1.25 5.31 0.17 2.92 2.01 -0.76 -1.45 115.64 125.08 2o3o s THR 248 Ca -0.00 0.48 0.11 0.00 0.31 0.00 0.00 61.69 62.58 2o3o s THR 248 Cb -0.16 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2o3o s THR 248 CO -0.08 0.36 -0.23 0.68 -0.69 0.00 0.00 174.62 174.66 2o3o s VAL 249 N 0.73 2.18 -0.00 3.82 -7.23 -0.89 -0.73 120.40 118.28 2o3o s VAL 249 Ca 0.15 -1.92 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 2o3o s VAL 249 Cb -0.13 -2.00 -0.00 0.00 0.56 0.00 0.00 36.38 34.80 2o3o s VAL 249 CO 0.04 -0.11 -0.03 -1.83 -0.31 0.00 0.00 175.10 172.86 2o3o s GLU 250 N -2.52 0.22 0.35 4.82 -1.05 -0.02 -1.62 118.70 118.88 2o3o s GLU 250 Ca 0.17 -0.12 0.05 0.00 -0.15 0.00 0.00 54.97 54.92 2o3o s GLU 250 Cb -0.08 -0.20 -0.02 0.00 -0.44 0.00 0.00 34.13 33.39 2o3o s GLU 250 CO 0.08 0.05 0.35 1.52 0.95 0.00 0.00 175.26 178.21 2o3o s TYR 251 N -0.13 1.62 -0.18 4.83 -0.85 -0.86 -1.69 117.35 120.09 2o3o s TYR 251 Ca 0.00 -1.59 -0.04 0.00 -0.52 0.00 0.00 57.07 54.92 2o3o s TYR 251 Cb -0.01 -0.55 -0.02 0.00 0.38 0.00 0.00 41.96 41.76 2o3o s TYR 251 CO -0.00 -0.97 -0.03 -1.21 -1.52 0.00 0.00 175.55 171.82 2o3o s GLU 252 N -3.25 3.58 0.00 -3.49 0.41 -1.26 -0.54 118.70 114.15 2o3o s GLU 252 Ca 0.38 -0.55 0.00 0.00 -0.41 0.00 0.00 54.97 54.39 2o3o s GLU 252 Cb 0.01 -2.96 0.00 0.00 -1.78 0.00 0.00 34.13 29.40 2o3o s GLU 252 CO 0.27 0.10 0.00 1.17 -0.49 0.00 0.00 175.26 176.30 2o3o n LYS 253 N 3.96 2.88 -1.84 1.61 4.81 -1.26 -4.93 118.16 123.40 2o3o n LYS 253 Ca -0.17 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2o3o n LYS 253 Cb 0.52 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.57 2o3o n LYS 253 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2o3o n LYS 254 N 0.00 0.00 0.00 1.64 5.02 -1.26 -4.55 118.16 119.02 2o3o n LYS 254 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 2o3o n LYS 254 Cb 0.00 0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 2o3o n LYS 254 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2o3o n VAL 255 N -0.01 0.00 0.00 -0.18 3.14 -1.26 -5.16 118.33 114.86 2o3o n VAL 255 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2o3o n VAL 255 Cb 0.01 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.79 2o3o n VAL 255 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2o3o n THR 261 N -1.12 0.00 -3.90 1.55 -1.04 -1.26 -5.39 114.28 103.11 2o3o n THR 261 Ca 0.00 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.80 2o3o n THR 261 Cb 0.00 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 0.00 4.96 -0.08 12.58 1.01 0.30 -4.95 120.40 134.21 2o3o s VAL 262 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2o3o s VAL 262 Cb 0.00 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.67 2o3o s VAL 262 CO 0.00 -0.30 -0.09 -1.10 0.00 0.00 0.00 175.10 173.61 2o3o s GLN 263 N -4.00 1.49 0.10 2.72 -0.21 -1.26 -2.03 119.66 116.47 2o3o s GLN 263 Ca 0.36 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.45 2o3o s GLN 263 Cb -0.09 -1.40 -0.04 0.00 1.00 0.00 0.00 33.01 32.49 2o3o s GLN 263 CO 0.29 -0.11 0.24 -1.21 -2.12 0.00 0.00 175.29 172.38 2o3o s GLU 264 N 1.14 3.44 0.01 2.91 2.02 -0.64 -4.99 118.70 122.60 2o3o s GLU 264 Ca -0.06 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.49 2o3o s GLU 264 Cb -0.14 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 2o3o s GLU 264 CO -0.02 0.57 -0.19 0.71 0.02 0.00 0.00 175.26 176.36 2o3o s TYR 265 N -1.60 1.68 0.03 1.61 1.51 -1.26 -2.10 117.35 117.21 2o3o s TYR 265 Ca 0.35 -0.34 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2o3o s TYR 265 Cb -0.12 -1.04 -0.02 0.00 -0.11 0.00 0.00 41.96 40.67 2o3o s TYR 265 CO 0.28 0.03 -0.07 -0.06 -1.11 0.00 0.00 175.55 174.62 2o3o s PHE 266 N -0.62 0.61 -0.22 2.71 0.40 -0.53 -4.99 117.98 115.34 2o3o s PHE 266 Ca 0.07 -0.35 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 2o3o s PHE 266 Cb -0.08 -0.37 0.04 0.00 0.51 0.00 0.00 43.02 43.12 2o3o s PHE 266 CO 0.00 -0.05 -0.13 0.99 0.70 0.00 0.00 175.22 176.73 2o3o s THR 267 N -0.92 1.94 -0.05 0.64 2.01 -1.26 -0.73 115.64 117.28 2o3o s THR 267 Ca -0.05 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 60.71 2o3o s THR 267 Cb -0.07 -1.97 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 2o3o s THR 267 CO 0.00 0.18 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.41 2o3o s VAL 268 N 1.26 4.11 -0.14 3.82 1.01 -0.61 -4.96 120.40 124.88 2o3o s VAL 268 Ca -0.03 -0.45 -0.29 0.00 0.00 0.00 0.00 61.98 61.21 2o3o s VAL 268 Cb -0.17 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.44 2o3o s VAL 268 CO -0.08 0.51 1.09 0.21 0.00 0.00 0.00 175.10 176.83 2o3o s ASN 269 N -1.16 7.12 0.38 3.32 3.04 -1.26 -0.66 114.94 125.72 2o3o s ASN 269 Ca 0.16 1.56 0.24 0.00 0.04 0.00 0.00 52.86 54.87 2o3o s ASN 269 Cb -0.11 -2.55 0.53 0.00 -1.54 0.00 0.00 41.25 37.58 2o3o s ASN 269 CO 0.05 -0.59 1.68 0.00 -3.04 0.00 0.00 177.10 175.20 2o3o h ALA 270 N 7.44 1.00 -2.41 1.71 0.00 -1.77 -3.46 119.26 121.78 2o3o h ALA 270 Ca -0.27 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 2o3o h ALA 270 Cb 1.12 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2o3o h ALA 270 CO 0.91 0.00 0.87 -0.51 0.00 0.00 0.00 179.25 180.53 2o3o s LEU 271 N -5.72 4.33 -0.36 0.00 1.43 -1.26 -0.96 118.68 116.14 2o3o s LEU 271 Ca 0.08 2.23 -0.22 0.00 -1.03 0.00 0.00 54.13 55.19 2o3o s LEU 271 Cb 0.07 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.74 2o3o s LEU 271 CO 0.64 -0.76 0.71 -0.70 0.23 0.00 0.00 176.35 176.46 2o3o s GLU 272 N 2.38 3.70 -0.27 1.70 2.12 -1.08 -4.87 118.70 122.38 2o3o s GLU 272 Ca 0.67 0.15 -0.01 0.00 0.36 0.00 0.00 54.97 56.14 2o3o s GLU 272 Cb -0.34 -3.82 0.16 0.00 0.26 0.00 0.00 34.13 30.39 2o3o s GLU 272 CO 0.28 -0.80 0.45 -1.54 -0.54 0.00 0.00 175.26 173.11 2o3o s SER 273 N 1.82 -0.24 0.08 -1.70 1.04 -1.26 -4.80 113.70 108.64 2o3o s SER 273 Ca 0.28 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.97 2o3o s SER 273 Cb -0.14 1.42 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2o3o s SER 273 CO 0.16 -0.30 0.00 0.35 0.98 0.00 0.00 173.24 174.43 2o3o n THR 274 N 5.38 0.54 -4.10 2.02 -2.24 -1.26 -5.04 114.28 109.58 2o3o n THR 274 Ca -0.02 0.18 -0.35 0.00 -2.27 0.00 0.00 64.05 61.59 2o3o n THR 274 Cb 0.50 -1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 67.31 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 4.21 0.00 2.28 1.01 -1.26 -5.11 121.20 120.34 2o3o s ILE 275 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.42 2o3o s ILE 275 Cb 0.00 -2.90 0.00 0.00 0.01 0.00 0.00 42.46 39.57 2o3o s ILE 275 CO 0.00 0.44 0.00 0.18 0.00 0.00 0.00 174.94 175.56 2o3o n LEU 276 N 3.97 0.00 0.00 2.97 4.77 -1.26 -5.22 117.00 122.22 2o3o n LEU 276 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 2o3o n LEU 276 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2o3o n LEU 276 CO 0.33 0.00 0.06 0.47 -1.33 0.00 0.00 177.39 176.92