#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o3o n GLU 35 N 0.00 2.53 -0.35 1.97 4.07 -1.26 -4.26 120.64 123.33 2o3o n GLU 35 Ca 0.00 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.25 2o3o n GLU 35 Cb 0.00 -1.16 0.34 0.00 -0.06 0.00 0.00 31.44 30.56 2o3o n GLU 35 CO 0.00 0.00 0.00 0.10 -0.06 0.00 0.00 177.13 177.17 2o3o h TYR 36 N 0.00 1.04 0.26 4.31 -0.00 -2.05 -0.57 116.97 119.97 2o3o h TYR 36 Ca -0.17 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.58 2o3o h TYR 36 Cb 1.37 -0.31 0.00 0.00 0.00 0.00 0.00 36.73 37.79 2o3o h TYR 36 CO 0.00 0.19 -0.12 1.49 -0.00 0.00 0.00 178.16 179.72 2o3o h GLU 37 N 0.71 -0.33 -0.85 0.10 4.57 -1.99 0.20 114.58 116.98 2o3o h GLU 37 Ca 0.60 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.93 2o3o h GLU 37 Cb 1.00 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.58 2o3o h GLU 37 CO -0.40 -0.04 0.46 0.28 -1.18 0.00 0.00 179.01 178.13 2o3o h VAL 38 N -0.62 0.79 -0.19 0.32 2.07 -1.57 -1.88 116.25 115.16 2o3o h VAL 38 Ca -0.04 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.11 2o3o h VAL 38 Cb 0.45 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2o3o h VAL 38 CO 0.06 0.13 -0.40 0.40 0.02 0.00 0.00 177.57 177.78 2o3o h ILE 39 N 0.69 1.33 0.21 4.57 1.08 -1.03 -2.90 117.51 121.45 2o3o h ILE 39 Ca 0.45 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 2o3o h ILE 39 Cb 0.56 1.89 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2o3o h ILE 39 CO -0.32 0.50 -0.19 0.11 -0.69 0.00 0.00 178.15 177.56 2o3o h LYS 40 N 0.28 -0.40 0.00 2.37 1.57 0.15 -2.31 116.57 118.22 2o3o h LYS 40 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2o3o h LYS 40 Cb 1.00 0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.40 2o3o h LYS 40 CO 0.09 -0.27 0.00 0.27 -0.57 0.00 0.00 179.45 178.97 2o3o n ASN 41 N -5.31 0.76 -0.30 0.86 6.94 -0.79 -0.96 115.26 116.45 2o3o n ASN 41 Ca -0.08 0.62 -0.04 0.00 -0.02 0.00 0.00 54.58 55.05 2o3o n ASN 41 Cb 0.23 -0.81 0.07 0.00 -2.36 0.00 0.00 39.78 36.92 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 0.00 1.01 0.02 0.53 3.32 -1.26 0.56 116.42 120.59 2o3o h ASP 42 Ca 0.00 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 56.86 2o3o h ASP 42 Cb 0.57 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2o3o h ASP 42 CO 0.00 0.79 -0.33 0.58 -1.72 0.00 0.00 179.24 178.56 2o3o h VAL 43 N 1.14 1.29 0.69 -1.35 2.07 -0.49 -1.61 116.25 117.98 2o3o h VAL 43 Ca 0.29 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 2o3o h VAL 43 Cb -0.02 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2o3o h VAL 43 CO -0.05 0.44 -0.35 -0.08 0.02 0.00 0.00 177.57 177.55 2o3o h GLU 44 N 0.38 -0.92 0.00 1.57 4.57 -0.95 -2.99 114.58 116.25 2o3o h GLU 44 Ca 0.05 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2o3o h GLU 44 Cb 0.77 0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 2o3o h GLU 44 CO 0.06 -0.61 0.00 0.72 -1.18 0.00 0.00 179.01 178.00 2o3o n HIS 45 N -5.51 0.00 -0.79 0.92 8.25 0.16 -0.97 115.22 117.28 2o3o n HIS 45 Ca -0.14 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.13 2o3o n HIS 45 Cb 0.39 -0.26 0.14 0.00 1.12 0.00 0.00 29.99 31.38 2o3o n HIS 45 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2o3o n ASP 46 N -1.26 3.64 0.00 0.41 10.43 -0.62 -3.64 116.55 125.50 2o3o n ASP 46 Ca 0.05 -3.29 0.00 0.00 2.57 0.00 0.00 54.79 54.12 2o3o n ASP 46 Cb 0.08 -0.77 0.00 0.00 1.84 0.00 0.00 41.12 42.26 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 -0.82 0.00 -0.29 -1.24 3.00 -0.14 -0.43 118.16 118.24 2o3o n LYS 48 Ca 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.76 2o3o n LYS 48 Cb 1.44 0.00 0.09 0.00 0.00 0.00 0.00 35.03 36.56 2o3o n LYS 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2o3o h ALA 49 N 0.00 1.05 -0.40 3.14 0.00 -1.80 -2.31 119.26 118.93 2o3o h ALA 49 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2o3o h ALA 49 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2o3o h ALA 49 CO 0.00 0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.36 2o3o n ASP 50 N -4.57 2.30 -3.52 0.00 9.92 0.43 -4.97 116.55 116.15 2o3o n ASP 50 Ca 0.09 -2.04 -0.24 0.00 -0.53 0.00 0.00 54.79 52.08 2o3o n ASP 50 Cb 0.07 -0.30 0.05 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.67 -2.13 -4.16 1.24 8.25 -0.87 -0.99 115.22 117.23 2o3o n HIS 51 Ca 0.14 0.67 -0.34 0.00 -0.26 0.00 0.00 57.72 57.92 2o3o n HIS 51 Cb 0.38 -3.86 -0.11 0.00 1.12 0.00 0.00 29.99 27.52 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 -3.46 4.36 -0.15 1.59 1.01 -1.26 -3.00 121.20 120.28 2o3o s ILE 52 Ca 0.40 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.78 2o3o s ILE 52 Cb -0.10 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 2o3o s ILE 52 CO 0.81 0.47 0.12 -0.89 0.00 0.00 0.00 174.94 175.44 2o3o s THR 53 N 0.45 5.30 0.17 2.92 2.01 -1.03 -4.78 115.64 120.67 2o3o s THR 53 Ca 0.00 0.14 0.09 0.00 0.31 0.00 0.00 61.69 62.23 2o3o s THR 53 Cb -0.13 -3.35 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2o3o s THR 53 CO 0.02 0.53 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.03 2o3o s TYR 54 N -0.34 2.56 -0.27 4.92 1.51 -1.26 -1.38 117.35 123.08 2o3o s TYR 54 Ca 0.11 -0.25 -0.04 0.00 -1.01 0.00 0.00 57.07 55.88 2o3o s TYR 54 Cb -0.12 -1.28 0.09 0.00 -0.11 0.00 0.00 41.96 40.55 2o3o s TYR 54 CO 0.01 0.48 0.12 -1.21 -1.11 0.00 0.00 175.55 173.84 2o3o s GLU 55 N -2.63 0.22 -1.37 -0.62 2.02 -1.26 -4.93 118.70 110.14 2o3o s GLU 55 Ca 0.23 -0.50 -0.07 0.00 0.02 0.00 0.00 54.97 54.65 2o3o s GLU 55 Cb -0.09 -1.35 0.03 0.00 0.10 0.00 0.00 34.13 32.82 2o3o s GLU 55 CO 0.13 -0.96 0.97 0.41 0.02 0.00 0.00 175.26 175.84 2o3o n GLY 56 N 5.22 -0.43 3.81 -1.39 0.00 -1.26 -4.90 105.19 106.23 2o3o n GLY 56 Ca -0.06 0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 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 -6.97 4.39 0.48 0.99 1.43 -1.26 -5.07 118.68 112.68 2o3o s LEU 57 Ca 0.35 0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 53.99 2o3o s LEU 57 Cb -0.17 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.52 2o3o s LEU 57 CO 0.78 0.26 1.32 0.21 0.23 0.00 0.00 176.35 179.15 2o3o s ASN 58 N -0.58 5.77 0.00 2.29 3.84 -1.26 -4.97 114.94 120.03 2o3o s ASN 58 Ca 0.21 2.68 0.00 0.00 0.21 0.00 0.00 52.86 55.96 2o3o s ASN 58 Cb -0.15 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 37.92 2o3o s ASN 58 CO 0.09 -1.22 0.96 0.29 -2.79 0.00 0.00 177.10 174.43 2o3o n LYS 59 N -0.53 2.69 -3.77 0.43 5.02 -1.26 -3.15 118.16 117.59 2o3o n LYS 59 Ca 0.07 -1.42 -0.37 0.00 -2.02 0.00 0.00 58.31 54.57 2o3o n LYS 59 Cb 0.45 -1.00 -0.13 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 -0.92 2.89 0.81 1.97 0.41 -1.26 -4.94 118.70 117.66 2o3o s GLU 60 Ca 0.00 -0.99 -0.13 0.00 -0.41 0.00 0.00 54.97 53.45 2o3o s GLU 60 Cb 0.00 -3.38 0.08 0.00 -1.78 0.00 0.00 34.13 29.05 2o3o s GLU 60 CO 0.00 -0.53 1.17 0.00 -0.49 0.00 0.00 175.26 175.42 2o3o s ALA 61 N 1.45 1.86 0.26 5.21 0.00 -1.26 -4.90 121.76 124.39 2o3o s ALA 61 Ca 0.01 0.71 0.04 0.00 0.00 0.00 0.00 51.96 52.72 2o3o s ALA 61 Cb -0.18 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 2o3o s ALA 61 CO 0.02 -2.24 0.27 0.25 0.00 0.00 0.00 175.76 174.06 2o3o n THR 62 N -3.41 0.00 -4.20 0.00 -2.24 -1.26 -5.01 114.28 98.15 2o3o n THR 62 Ca 0.12 -1.70 -0.32 0.00 -2.27 0.00 0.00 64.05 59.88 2o3o n THR 62 Cb 0.51 0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 2o3o n THR 62 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2o3o s GLU 63 N -2.90 2.78 0.18 -0.78 0.41 -1.26 -1.07 118.70 116.06 2o3o s GLU 63 Ca 0.28 -0.66 -0.01 0.00 -0.41 0.00 0.00 54.97 54.18 2o3o s GLU 63 Cb 0.01 -2.67 -0.04 0.00 -1.78 0.00 0.00 34.13 29.65 2o3o s GLU 63 CO 0.20 0.60 0.09 0.20 -0.49 0.00 0.00 175.26 175.86 2o3o s GLY 64 N -1.84 1.31 0.01 -1.39 0.00 0.26 -4.84 107.32 100.83 2o3o s GLY 64 Ca 0.22 -1.64 0.02 0.00 0.00 0.00 0.00 44.72 43.33 2o3o s GLY 64 CO 0.14 -1.42 -0.07 -0.19 0.00 0.00 0.00 173.10 171.56 2o3o s TYR 65 N -4.04 0.60 -0.07 1.90 1.51 -1.26 0.41 117.35 116.39 2o3o s TYR 65 Ca 0.33 -0.20 -0.25 0.00 -1.01 0.00 0.00 57.07 55.94 2o3o s TYR 65 Cb 0.07 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.51 2o3o s TYR 65 CO 0.08 -0.02 0.77 0.50 -1.11 0.00 0.00 175.55 175.77 2o3o s ARG 66 N -0.51 4.43 0.02 -0.62 3.52 0.32 -4.36 118.95 121.77 2o3o s ARG 66 Ca -0.00 0.99 0.06 0.00 -0.13 0.00 0.00 55.73 56.65 2o3o s ARG 66 Cb -0.04 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2o3o s ARG 66 CO -0.00 -0.02 -0.17 0.42 -0.81 0.00 0.00 175.30 174.72 2o3o s ILE 67 N 1.06 2.83 -0.09 4.11 -1.09 -0.85 -0.55 121.20 126.62 2o3o s ILE 67 Ca 0.40 -1.10 0.04 0.00 -2.23 0.00 0.00 60.65 57.76 2o3o s ILE 67 Cb -0.18 -2.17 -0.00 0.00 -1.58 0.00 0.00 42.46 38.53 2o3o s ILE 67 CO 0.19 0.39 -0.23 0.42 -1.23 0.00 0.00 174.94 174.48 2o3o s THR 68 N -0.89 1.95 0.06 2.92 -4.23 -0.37 0.19 115.64 115.28 2o3o s THR 68 Ca 0.14 -0.97 0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2o3o s THR 68 Cb -0.11 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.02 2o3o s THR 68 CO 0.04 0.54 -0.18 0.00 -0.54 0.00 0.00 174.62 174.48 2o3o s ALA 69 N 0.25 1.52 0.35 3.99 0.00 -0.51 -1.27 121.76 126.09 2o3o s ALA 69 Ca -0.15 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.68 2o3o s ALA 69 Cb -0.17 -0.25 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 2o3o s ALA 69 CO 0.07 0.31 0.72 -0.80 0.00 0.00 0.00 175.76 176.06 2o3o s ASN 70 N -1.37 6.61 -0.29 0.00 0.01 0.65 -1.37 114.94 119.18 2o3o s ASN 70 Ca 0.04 1.13 -0.24 0.00 -0.71 0.00 0.00 52.86 53.09 2o3o s ASN 70 Cb -0.09 -2.32 -0.00 0.00 0.41 0.00 0.00 41.25 39.25 2o3o s ASN 70 CO 0.02 -0.29 0.80 -1.58 -1.51 0.00 0.00 177.10 174.54 2o3o s GLN 71 N -3.44 4.01 0.28 -0.60 2.00 -1.00 -0.66 119.66 120.24 2o3o s GLN 71 Ca 0.51 0.66 -0.30 0.00 -2.00 0.00 0.00 55.36 54.23 2o3o s GLN 71 Cb -0.10 -3.71 -0.11 0.00 0.80 0.00 0.00 33.01 29.89 2o3o s GLN 71 CO 0.25 -0.65 1.49 0.21 -0.50 0.00 0.00 175.29 176.10 2o3o s LYS 72 N 2.95 4.21 -0.26 1.67 2.47 0.08 -4.92 119.74 125.94 2o3o s LYS 72 Ca 0.33 2.42 -0.02 0.00 -1.56 0.00 0.00 55.97 57.14 2o3o s LYS 72 Cb -0.14 -3.07 0.03 0.00 -1.46 0.00 0.00 37.83 33.19 2o3o s LYS 72 CO 0.12 -0.49 -0.04 0.45 0.16 0.00 0.00 175.35 175.54 2o3o s SER 73 N 0.34 4.47 0.13 1.43 0.15 -1.26 -4.43 113.70 114.52 2o3o s SER 73 Ca 0.60 -0.92 -0.29 0.00 0.70 0.00 0.00 55.95 56.03 2o3o s SER 73 Cb -0.44 -1.69 -0.06 0.00 -1.71 0.00 0.00 66.02 62.12 2o3o s SER 73 CO 0.47 -0.15 0.92 -0.36 1.20 0.00 0.00 173.24 175.31 2o3o s PHE 74 N 1.33 3.84 0.57 3.44 0.40 0.03 -4.98 117.98 122.61 2o3o s PHE 74 Ca -0.01 1.76 0.02 0.00 -0.60 0.00 0.00 56.93 58.11 2o3o s PHE 74 Cb -0.17 -2.99 0.05 0.00 0.51 0.00 0.00 43.02 40.42 2o3o s PHE 74 CO -0.03 0.28 0.79 -1.54 0.70 0.00 0.00 175.22 175.41 2o3o s SER 75 N -0.27 5.13 0.14 1.36 1.04 -1.26 -4.37 113.70 115.47 2o3o s SER 75 Ca 0.44 -0.20 -0.18 0.00 0.48 0.00 0.00 55.95 56.49 2o3o s SER 75 Cb -0.23 -0.59 0.02 0.00 0.10 0.00 0.00 66.02 65.32 2o3o s SER 75 CO 0.29 -1.25 1.74 0.50 0.98 0.00 0.00 173.24 175.50 2o3o h LYS 76 N 0.04 0.17 0.00 4.02 3.64 -1.97 -2.41 116.57 120.06 2o3o h LYS 76 Ca -0.40 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.86 2o3o h LYS 76 Cb 1.29 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.05 2o3o h LYS 76 CO 0.48 0.12 -0.54 0.93 -2.27 0.00 0.00 179.45 178.16 2o3o h GLU 77 N 0.18 0.00 -0.34 1.90 5.08 -1.99 -2.03 114.58 117.39 2o3o h GLU 77 Ca 0.13 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2o3o h GLU 77 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2o3o h GLU 77 CO -0.17 0.54 -0.35 0.93 -1.00 0.00 0.00 179.01 178.96 2o3o h GLU 78 N 0.00 0.84 0.34 2.33 5.08 -1.93 -2.63 114.58 118.61 2o3o h GLU 78 Ca -0.01 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.89 2o3o h GLU 78 Cb 1.08 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2o3o h GLU 78 CO 0.07 1.09 -0.16 0.82 -1.00 0.00 0.00 179.01 179.82 2o3o h ILE 79 N 0.62 0.64 0.00 3.13 2.04 -0.92 -2.86 117.51 120.17 2o3o h ILE 79 Ca 0.05 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2o3o h ILE 79 Cb 0.94 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 2o3o h ILE 79 CO 0.09 0.10 -0.03 1.05 0.00 0.00 0.00 178.15 179.36 2o3o h GLU 80 N -0.78 0.00 0.00 2.37 4.11 -1.52 -1.22 114.58 117.54 2o3o h GLU 80 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2o3o h GLU 80 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2o3o h GLU 80 CO 0.08 0.03 0.00 0.00 0.07 0.00 0.00 179.01 179.19 2o3o n ALA 81 N -2.12 1.78 -2.75 1.06 0.00 -0.99 -4.44 120.51 113.04 2o3o n ALA 81 Ca -0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 2o3o n ALA 81 Cb 0.26 -1.23 -0.03 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.68 4.06 0.60 0.00 1.43 -0.46 -5.02 118.68 116.62 2o3o s LEU 82 Ca 0.12 -1.09 -0.19 0.00 -1.03 0.00 0.00 54.13 51.94 2o3o s LEU 82 Cb 0.10 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.82 2o3o s LEU 82 CO 0.23 -1.49 1.27 -0.75 0.23 0.00 0.00 176.35 175.84 2o3o s LYS 83 N 4.39 2.85 -1.55 1.70 2.20 -1.26 -3.60 119.74 124.46 2o3o s LYS 83 Ca 0.30 2.00 -0.14 0.00 -0.36 0.00 0.00 55.97 57.78 2o3o s LYS 83 Cb -0.10 -1.97 0.09 0.00 -1.51 0.00 0.00 37.83 34.34 2o3o s LYS 83 CO 0.05 -1.35 0.93 -0.25 -0.36 0.00 0.00 175.35 174.37 2o3o n ASP 84 N -1.58 -4.30 -3.69 1.43 8.00 -1.26 -4.97 116.55 110.17 2o3o n ASP 84 Ca 0.14 -0.83 -0.12 0.00 0.71 0.00 0.00 54.79 54.69 2o3o n ASP 84 Cb 0.48 -3.68 -0.12 0.00 -0.02 0.00 0.00 41.12 37.78 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 -6.65 0.23 -0.18 -1.24 -0.21 -1.24 -2.87 119.66 107.50 2o3o s GLN 85 Ca 0.64 0.71 -0.05 0.00 0.02 0.00 0.00 55.36 56.68 2o3o s GLN 85 Cb -0.32 -0.02 -0.03 0.00 1.00 0.00 0.00 33.01 33.64 2o3o s GLN 85 CO 0.85 -0.22 -0.00 0.15 -2.12 0.00 0.00 175.29 173.95 2o3o s LYS 86 N 1.87 3.70 0.61 2.91 -0.14 0.86 -4.91 119.74 124.63 2o3o s LYS 86 Ca -0.05 -0.49 -0.16 0.00 -1.36 0.00 0.00 55.97 53.91 2o3o s LYS 86 Cb -0.11 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 32.98 2o3o s LYS 86 CO -0.10 0.14 1.09 -1.25 -0.76 0.00 0.00 175.35 174.48 2o3o s PRO 87 N 0.65 3.11 -0.48 -1.68 0.04 -1.26 -0.49 135.00 134.89 2o3o s PRO 87 Ca -0.01 1.35 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2o3o s PRO 87 Cb -0.14 -1.99 0.38 0.00 0.04 0.00 0.00 34.50 32.78 2o3o s PRO 87 CO 0.02 -1.00 0.97 1.28 0.04 0.00 0.00 177.00 178.31 2o3o n LEU 88 N -2.06 3.73 0.00 -3.56 4.77 0.38 -4.82 117.00 115.44 2o3o n LEU 88 Ca 0.10 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.83 2o3o n LEU 88 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2o3o n LEU 88 CO 0.46 2.23 0.00 0.47 -1.33 0.00 0.00 177.39 179.23 2o3o n ASP 90 N -0.22 0.00 -4.89 -1.43 8.00 -1.26 -4.89 116.55 111.86 2o3o n ASP 90 Ca 0.30 -0.30 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 2o3o n ASP 90 Cb 0.55 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 0.02 2.63 0.00 -0.24 0.04 -1.26 -4.89 135.00 131.29 2o3o s PRO 92 Ca 0.00 -1.43 0.00 0.00 0.04 0.00 0.00 61.00 59.61 2o3o s PRO 92 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2o3o s PRO 92 CO 0.00 -0.12 0.00 -1.13 0.04 0.00 0.00 177.00 175.79 2o3o n SER 93 N -1.53 0.00 -0.02 6.66 3.41 -0.60 -4.94 113.62 116.59 2o3o n SER 93 Ca 0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.47 2o3o n SER 93 Cb 0.61 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.48 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 0.00 0.79 0.03 4.04 3.32 -2.07 -3.36 116.42 119.18 2o3o h ASP 94 Ca 0.00 -0.64 -0.15 0.00 0.02 0.00 0.00 57.03 56.26 2o3o h ASP 94 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 2o3o h ASP 94 CO 0.00 1.31 -0.80 -0.78 -1.72 0.00 0.00 179.24 177.25 2o3o h ASP 95 N 0.34 0.10 -3.33 6.45 1.82 -2.08 -3.47 116.42 116.24 2o3o h ASP 95 Ca -0.05 -0.78 -0.57 0.00 -0.39 0.00 0.00 57.03 55.24 2o3o h ASP 95 Cb 1.30 -0.03 -0.07 0.00 0.68 0.00 0.00 39.33 41.22 2o3o h ASP 95 CO 0.14 1.33 -0.04 -2.28 -1.61 0.00 0.00 179.24 176.77 2o3o s HIS 96 N -2.34 3.56 -0.04 0.28 2.46 -1.26 -5.07 115.29 112.89 2o3o s HIS 96 Ca -0.23 1.06 0.00 0.00 0.47 0.00 0.00 55.06 56.37 2o3o s HIS 96 Cb 0.02 -2.64 -0.03 0.00 -0.13 0.00 0.00 32.58 29.79 2o3o s HIS 96 CO 0.68 0.18 -0.02 0.15 -2.47 0.00 0.00 174.74 173.26 2o3o s LYS 97 N 0.53 2.82 -0.36 2.88 1.02 -1.26 -1.56 119.74 123.80 2o3o s LYS 97 Ca 0.31 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.66 2o3o s LYS 97 Cb -0.16 -2.68 0.04 0.00 -0.52 0.00 0.00 37.83 34.50 2o3o s LYS 97 CO 0.14 0.65 0.16 0.08 -0.92 0.00 0.00 175.35 175.47 2o3o s VAL 98 N -0.97 4.16 -1.23 3.17 1.01 -1.26 -4.89 120.40 120.40 2o3o s VAL 98 Ca 0.16 -1.05 0.12 0.00 0.00 0.00 0.00 61.98 61.22 2o3o s VAL 98 Cb -0.11 -3.36 0.28 0.00 0.00 0.00 0.00 36.38 33.18 2o3o s VAL 98 CO 0.06 -0.24 1.18 0.35 0.00 0.00 0.00 175.10 176.45 2o3o n THR 99 N 4.90 0.70 -3.66 3.92 -2.24 -1.26 -0.79 114.28 115.85 2o3o n THR 99 Ca -0.12 -0.85 -0.22 0.00 -2.27 0.00 0.00 64.05 60.59 2o3o n THR 99 Cb 0.45 0.73 -0.18 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.02 1.53 -0.15 3.42 0.15 -1.26 -4.55 113.70 111.82 2o3o s SER 100 Ca 0.23 -0.14 -0.16 0.00 0.70 0.00 0.00 55.95 56.58 2o3o s SER 100 Cb 0.13 -0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 2o3o s SER 100 CO 0.17 -0.28 0.39 -0.76 1.20 0.00 0.00 173.24 173.97 2o3o s LEU 101 N 2.15 4.23 0.10 3.45 1.43 0.64 -4.92 118.68 125.77 2o3o s LEU 101 Ca 0.04 0.63 0.10 0.00 -1.03 0.00 0.00 54.13 53.87 2o3o s LEU 101 Cb -0.13 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 2o3o s LEU 101 CO -0.05 0.02 -0.26 -0.75 0.23 0.00 0.00 176.35 175.54 2o3o s LYS 102 N 0.73 1.46 -0.28 1.70 2.20 -1.26 1.00 119.74 125.30 2o3o s LYS 102 Ca 0.21 -1.25 -0.15 0.00 -0.36 0.00 0.00 55.97 54.42 2o3o s LYS 102 Cb -0.14 -1.84 0.08 0.00 -1.51 0.00 0.00 37.83 34.43 2o3o s LYS 102 CO 0.07 0.45 0.67 0.21 -0.36 0.00 0.00 175.35 176.39 2o3o s LYS 104 N -1.79 0.69 0.26 4.03 2.20 0.36 -0.47 119.74 125.01 2o3o s LYS 104 Ca 0.12 1.23 -0.29 0.00 -0.36 0.00 0.00 55.97 56.66 2o3o s LYS 104 Cb -0.10 0.19 -0.09 0.00 -1.51 0.00 0.00 37.83 36.31 2o3o s LYS 104 CO 0.05 -0.15 1.24 -0.06 -0.36 0.00 0.00 175.35 176.06 2o3o s PHE 105 N 1.73 3.29 0.14 4.03 0.40 -0.11 -0.10 117.98 127.36 2o3o s PHE 105 Ca -0.10 1.44 -0.17 0.00 -0.60 0.00 0.00 56.93 57.50 2o3o s PHE 105 Cb -0.06 -3.53 0.01 0.00 0.51 0.00 0.00 43.02 39.96 2o3o s PHE 105 CO -0.20 -1.45 1.76 0.00 0.70 0.00 0.00 175.22 176.04 2o3o h ALA 106 N 4.26 0.36 -4.17 5.36 0.00 -1.84 -3.39 119.26 119.84 2o3o h ALA 106 Ca -0.47 0.02 -0.69 0.00 0.00 0.00 0.00 54.91 53.78 2o3o h ALA 106 Cb 1.22 -0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.67 2o3o h ALA 106 CO 0.70 -0.26 -0.88 -0.80 0.00 0.00 0.00 179.25 178.01 2o3o s ASN 107 N -5.38 3.02 0.65 0.00 0.01 -1.26 -5.10 114.94 106.88 2o3o s ASN 107 Ca -0.13 -0.49 -0.17 0.00 -0.71 0.00 0.00 52.86 51.36 2o3o s ASN 107 Cb 0.11 -0.69 -0.01 0.00 0.41 0.00 0.00 41.25 41.07 2o3o s ASN 107 CO 0.70 0.26 1.20 -2.16 -1.51 0.00 0.00 177.10 175.59 2o3o s PRO 108 N -0.27 2.66 -0.20 -0.60 0.04 -1.26 -4.99 135.00 130.38 2o3o s PRO 108 Ca 0.00 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 62.74 2o3o s PRO 108 Cb -0.13 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2o3o s PRO 108 CO 0.02 -1.43 0.00 0.42 0.04 0.00 0.00 177.00 176.05 2o3o s ILE 109 N -1.82 4.01 0.19 0.56 1.01 -0.72 -4.88 121.20 119.55 2o3o s ILE 109 Ca 0.75 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.80 2o3o s ILE 109 Cb -0.29 -2.81 -0.09 0.00 0.01 0.00 0.00 42.46 39.29 2o3o s ILE 109 CO 0.38 0.43 1.35 0.00 0.00 0.00 0.00 174.94 177.11 2o3o s ALA 110 N 0.91 3.56 -0.05 9.38 0.00 -1.26 -1.14 121.76 133.16 2o3o s ALA 110 Ca 0.01 1.15 0.05 0.00 0.00 0.00 0.00 51.96 53.18 2o3o s ALA 110 Cb -0.14 -3.51 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 2o3o s ALA 110 CO 0.02 -0.59 -0.21 -0.51 0.00 0.00 0.00 175.76 174.47 2o3o s LEU 111 N 0.11 2.32 0.66 0.00 1.43 -0.96 -4.94 118.68 117.31 2o3o s LEU 111 Ca 0.59 -0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.13 2o3o s LEU 111 Cb -0.38 -1.44 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 2o3o s LEU 111 CO 0.37 0.29 1.16 -0.24 0.23 0.00 0.00 176.35 178.17 2o3o n SER 112 N 2.63 1.47 0.10 2.29 2.88 -1.26 -4.86 113.62 116.87 2o3o n SER 112 Ca -0.17 0.79 -0.04 0.00 -1.33 0.00 0.00 58.87 58.12 2o3o n SER 112 Cb 0.52 -1.49 -0.02 0.00 -0.75 0.00 0.00 64.21 62.47 2o3o n SER 112 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2o3o h LYS 113 N 0.32 -0.26 -0.59 -1.46 1.57 -1.96 -2.97 116.57 111.22 2o3o h LYS 113 Ca -0.50 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2o3o h LYS 113 Cb 1.34 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.71 2o3o h LYS 113 CO 0.51 -0.17 0.00 1.63 -0.57 0.00 0.00 179.45 180.85 2o3o n LYS 114 N -3.23 2.45 -0.36 3.15 5.02 -1.26 -3.42 118.16 120.51 2o3o n LYS 114 Ca -0.03 -2.11 0.07 0.00 -2.02 0.00 0.00 58.31 54.22 2o3o n LYS 114 Cb 0.11 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 33.74 2o3o n LYS 114 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2o3o n ASP 115 N 1.15 1.63 -0.34 4.39 -0.08 -1.26 -4.92 116.55 117.12 2o3o n ASP 115 Ca 0.19 -2.92 0.18 0.00 -1.51 0.00 0.00 54.79 50.74 2o3o n ASP 115 Cb 0.52 -0.39 0.40 0.00 2.34 0.00 0.00 41.12 43.99 2o3o n ASP 115 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 2o3o h ILE 116 N 2.22 0.52 -0.33 5.18 2.10 -1.54 -2.52 117.51 123.13 2o3o h ILE 116 Ca -0.02 -0.19 -0.07 0.00 1.08 0.00 0.00 64.86 65.66 2o3o h ILE 116 Cb 1.15 -0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 2o3o h ILE 116 CO 0.01 0.10 -0.07 -0.33 -1.08 0.00 0.00 178.15 176.78 2o3o h GLU 117 N 0.55 0.62 -0.07 2.19 5.08 -1.91 -1.63 114.58 119.42 2o3o h GLU 117 Ca 0.65 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2o3o h GLU 117 Cb 1.28 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 2o3o h GLU 117 CO -0.48 0.80 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.87 2o3o h ASP 118 N 0.40 0.13 -0.88 1.42 3.32 -1.88 -2.58 116.42 116.35 2o3o h ASP 118 Ca 0.08 -0.39 0.14 0.00 0.02 0.00 0.00 57.03 56.88 2o3o h ASP 118 Cb 0.56 -0.04 -0.09 0.00 0.22 0.00 0.00 39.33 39.98 2o3o h ASP 118 CO 0.03 0.50 0.49 0.44 -1.72 0.00 0.00 179.24 178.97 2o3o h ASP 119 N -0.23 0.63 -0.36 6.45 5.19 -1.52 0.53 116.42 127.12 2o3o h ASP 119 Ca 0.02 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.50 2o3o h ASP 119 Cb 0.44 -0.03 -0.02 0.00 0.18 0.00 0.00 39.33 39.90 2o3o h ASP 119 CO 0.01 0.29 0.23 0.00 -3.12 0.00 0.00 179.24 176.64 2o3o h ALA 120 N 1.55 0.46 0.44 3.45 0.00 -1.21 -0.17 119.26 123.78 2o3o h ALA 120 Ca 0.47 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2o3o h ALA 120 Cb 0.61 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2o3o h ALA 120 CO -0.33 -0.06 -0.24 1.96 0.00 0.00 0.00 179.25 180.58 2o3o h GLN 121 N 0.48 -0.62 -0.85 0.00 1.08 -0.93 -1.85 115.11 112.41 2o3o h GLN 121 Ca 0.13 0.04 0.21 0.00 -1.45 0.00 0.00 58.65 57.58 2o3o h GLN 121 Cb -0.02 0.14 -0.12 0.00 -0.05 0.00 0.00 27.48 27.43 2o3o h GLN 121 CO -0.03 -0.41 0.30 0.00 -0.95 0.00 0.00 178.83 177.75 2o3o h ALA 122 N -0.10 1.28 -0.26 3.87 0.00 -0.79 0.73 119.26 124.00 2o3o h ALA 122 Ca -0.06 0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2o3o h ALA 122 Cb 0.51 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2o3o h ALA 122 CO 0.08 -0.37 0.07 1.25 0.00 0.00 0.00 179.25 180.27 2o3o h LEU 123 N 0.32 0.39 -0.61 0.00 5.85 -0.82 -2.78 115.31 117.66 2o3o h LEU 123 Ca 0.52 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 2o3o h LEU 123 Cb 0.99 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.89 2o3o h LEU 123 CO -0.55 0.51 0.22 0.58 -0.34 0.00 0.00 178.44 178.86 2o3o h VAL 124 N 0.24 1.24 -0.35 1.05 2.07 -0.20 -2.20 116.25 118.10 2o3o h VAL 124 Ca 0.08 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.84 2o3o h VAL 124 Cb 0.27 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2o3o h VAL 124 CO 0.00 0.30 0.22 0.28 0.02 0.00 0.00 177.57 178.39 2o3o h SER 125 N 0.86 0.41 0.39 0.57 0.02 -0.87 -2.29 113.55 112.64 2o3o h SER 125 Ca 0.20 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2o3o h SER 125 Cb 0.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2o3o h SER 125 CO -0.01 0.33 -1.24 -1.54 -1.14 0.00 0.00 176.83 173.23 2o3o n SER 126 N -4.82 0.54 -0.02 3.07 3.41 -1.06 -4.32 113.62 110.43 2o3o n SER 126 Ca -0.01 -0.14 -0.02 0.00 -0.26 0.00 0.00 58.87 58.45 2o3o n SER 126 Cb 0.04 1.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.99 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 -2.11 3.30 -3.46 4.33 5.02 -0.83 -5.03 118.16 119.39 2o3o n LYS 127 Ca 0.00 -0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 2o3o n LYS 127 Cb 0.48 -1.09 -0.06 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.09 5.06 0.32 -0.18 1.01 -0.86 -4.99 121.20 119.47 2o3o s ILE 128 Ca -0.02 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 2o3o s ILE 128 Cb 0.01 -3.74 -0.12 0.00 0.01 0.00 0.00 42.46 38.63 2o3o s ILE 128 CO 0.15 0.52 1.50 1.67 0.00 0.00 0.00 174.94 178.77 2o3o n GLN 129 N 2.26 2.52 -2.12 2.79 7.27 -1.26 -1.24 117.38 127.59 2o3o n GLN 129 Ca -0.12 0.89 -0.15 0.00 0.07 0.00 0.00 57.00 57.69 2o3o n GLN 129 Cb 0.52 -2.61 -0.02 0.00 2.41 0.00 0.00 30.24 30.53 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 1.47 -4.25 -0.03 1.69 10.43 -1.26 -4.85 116.55 119.75 2o3o n ASP 130 Ca 0.06 0.21 0.02 0.00 2.57 0.00 0.00 54.79 57.65 2o3o n ASP 130 Cb 0.36 -3.68 0.36 0.00 1.84 0.00 0.00 41.12 40.01 2o3o n ASP 130 CO 0.00 0.00 0.00 1.23 -1.07 0.00 0.00 177.20 177.36 2o3o h GLY 131 N 0.00 0.64 0.89 0.44 0.00 -1.36 -0.83 103.07 102.84 2o3o h GLY 131 Ca -0.33 -0.27 0.11 0.00 0.00 0.00 0.00 47.33 46.84 2o3o h GLY 131 CO 0.42 0.26 0.45 1.05 0.00 0.00 0.00 176.54 178.72 2o3o h GLU 132 N 0.60 0.00 -0.01 4.80 9.09 -1.82 -1.84 114.58 125.41 2o3o h GLU 132 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 2o3o h GLU 132 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 2o3o h GLU 132 CO -0.02 0.00 -0.01 1.63 0.05 0.00 0.00 179.01 180.66 2o3o n LYS 133 N -3.63 1.31 -4.70 1.06 5.02 -0.32 -4.84 118.16 112.06 2o3o n LYS 133 Ca 0.07 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.53 2o3o n LYS 133 Cb 0.61 -1.49 -0.12 0.00 -0.02 0.00 0.00 35.03 34.02 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 -2.03 2.85 0.02 2.13 1.51 -0.69 -0.97 117.35 120.17 2o3o s TYR 134 Ca 0.42 -0.04 0.07 0.00 -1.01 0.00 0.00 57.07 56.51 2o3o s TYR 134 Cb 0.21 -1.67 -0.03 0.00 -0.11 0.00 0.00 41.96 40.36 2o3o s TYR 134 CO 0.36 0.29 -0.21 0.21 -1.11 0.00 0.00 175.55 175.09 2o3o s LYS 135 N -0.85 2.07 0.21 -0.62 2.20 0.32 -4.93 119.74 118.14 2o3o s LYS 135 Ca 0.13 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.46 2o3o s LYS 135 Cb -0.11 -2.14 -0.10 0.00 -1.51 0.00 0.00 37.83 33.97 2o3o s LYS 135 CO 0.02 0.55 1.53 -1.17 -0.36 0.00 0.00 175.35 175.91 2o3o s LEU 136 N -1.16 4.37 -0.10 5.43 2.96 -1.26 -0.61 118.68 128.31 2o3o s LEU 136 Ca 0.13 2.68 -0.10 0.00 -0.22 0.00 0.00 54.13 56.61 2o3o s LEU 136 Cb -0.10 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.93 2o3o s LEU 136 CO 0.03 -0.79 -0.22 1.87 -1.32 0.00 0.00 176.35 175.92 2o3o n TRP 137 N 3.13 0.00 -3.75 5.38 -0.00 0.34 -4.84 117.44 117.70 2o3o n TRP 137 Ca 0.11 0.00 -0.13 0.00 -0.00 0.00 0.00 57.50 57.48 2o3o n TRP 137 Cb 0.39 -0.40 -0.11 0.00 -0.00 0.00 0.00 31.31 31.19 2o3o n TRP 137 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 2o3o s LYS 138 N -2.48 0.37 -0.83 5.87 2.20 -1.02 -5.01 119.74 118.84 2o3o s LYS 138 Ca -0.20 0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 55.78 2o3o s LYS 138 Cb 0.05 0.14 0.22 0.00 -1.51 0.00 0.00 37.83 36.72 2o3o s LYS 138 CO 0.28 -0.07 0.76 0.08 -0.36 0.00 0.00 175.35 176.04 2o3o s VAL 139 N 0.40 5.51 -0.45 4.02 1.01 -1.26 -0.27 120.40 129.36 2o3o s VAL 139 Ca -0.02 -2.56 -0.27 0.00 0.00 0.00 0.00 61.98 59.14 2o3o s VAL 139 Cb -0.04 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.96 2o3o s VAL 139 CO -0.02 -1.03 0.99 -0.62 0.00 0.00 0.00 175.10 174.42 2o3o s ASP 140 N 2.01 6.57 0.18 3.32 -1.08 -0.77 -4.91 116.67 121.99 2o3o s ASP 140 Ca 0.19 0.30 0.10 0.00 -0.52 0.00 0.00 52.55 52.61 2o3o s ASP 140 Cb -0.11 -2.48 -0.10 0.00 -1.46 0.00 0.00 42.92 38.77 2o3o s ASP 140 CO -0.09 -1.08 1.34 0.11 0.52 0.00 0.00 175.17 175.98 2o3o h LYS 141 N 9.01 0.00 -0.45 4.34 1.57 -1.96 -1.89 116.57 127.18 2o3o h LYS 141 Ca -0.24 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 2o3o h LYS 141 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2o3o h LYS 141 CO 1.05 0.81 -0.18 0.66 -0.57 0.00 0.00 179.45 181.22 2o3o h SER 142 N 0.00 0.94 -0.01 0.86 4.64 -1.95 -2.99 113.55 115.03 2o3o h SER 142 Ca -0.01 -0.39 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2o3o h SER 142 Cb 1.62 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 2o3o h SER 142 CO 0.11 1.12 0.00 0.29 -0.87 0.00 0.00 176.83 177.47 2o3o n LYS 143 N -4.19 1.50 -3.90 4.77 5.02 -1.23 -4.95 118.16 115.18 2o3o n LYS 143 Ca -0.00 -0.73 -0.31 0.00 -2.02 0.00 0.00 58.31 55.25 2o3o n LYS 143 Cb 0.43 -1.48 0.02 0.00 -0.02 0.00 0.00 35.03 33.97 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 -0.11 -5.03 -4.24 1.97 5.02 -0.78 -4.94 118.16 110.05 2o3o n LYS 144 Ca 0.20 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.92 2o3o n LYS 144 Cb 0.29 -5.42 -0.10 0.00 -0.02 0.00 0.00 35.03 29.78 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 -6.61 1.12 -0.11 1.97 -1.05 -0.81 -1.39 118.70 111.82 2o3o s GLU 145 Ca 0.66 -1.55 0.01 0.00 -0.15 0.00 0.00 54.97 53.94 2o3o s GLU 145 Cb -0.33 -0.23 0.02 0.00 -0.44 0.00 0.00 34.13 33.15 2o3o s GLU 145 CO 0.81 -0.15 -0.12 0.42 0.95 0.00 0.00 175.26 177.16 2o3o s ILE 146 N -3.70 1.30 -0.15 1.83 1.01 -0.10 -1.85 121.20 119.56 2o3o s ILE 146 Ca 0.25 -0.50 -0.07 0.00 0.00 0.00 0.00 60.65 60.34 2o3o s ILE 146 Cb 0.06 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2o3o s ILE 146 CO 0.05 0.41 0.09 -0.63 0.00 0.00 0.00 174.94 174.86 2o3o s ILE 147 N 1.30 5.07 -0.02 2.92 1.01 0.63 -0.10 121.20 132.01 2o3o s ILE 147 Ca -0.01 0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.75 2o3o s ILE 147 Cb -0.14 -3.24 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2o3o s ILE 147 CO -0.05 0.53 -0.21 -0.36 0.00 0.00 0.00 174.94 174.85 2o3o s PHE 148 N -0.31 1.92 -0.09 3.97 0.40 0.59 -0.51 117.98 123.95 2o3o s PHE 148 Ca 0.10 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 56.00 2o3o s PHE 148 Cb -0.12 -1.25 -0.03 0.00 0.51 0.00 0.00 43.02 42.13 2o3o s PHE 148 CO 0.01 -0.07 -0.01 -0.06 0.70 0.00 0.00 175.22 175.80 2o3o s PHE 149 N -0.38 3.14 0.37 0.36 0.08 0.22 -1.80 117.98 119.97 2o3o s PHE 149 Ca 0.05 0.17 -0.27 0.00 0.12 0.00 0.00 56.93 57.00 2o3o s PHE 149 Cb -0.09 -1.79 -0.09 0.00 -0.57 0.00 0.00 43.02 40.48 2o3o s PHE 149 CO 0.00 0.44 1.27 -1.14 -0.10 0.00 0.00 175.22 175.69 2o3o s GLN 150 N -0.84 4.17 0.51 0.44 0.74 0.80 -0.52 119.66 124.96 2o3o s GLN 150 Ca 0.13 2.10 0.08 0.00 0.05 0.00 0.00 55.36 57.72 2o3o s GLN 150 Cb -0.11 -2.89 0.04 0.00 1.10 0.00 0.00 33.01 31.15 2o3o s GLN 150 CO 0.02 -0.30 0.60 0.95 -0.55 0.00 0.00 175.29 176.01 2o3o s THR 151 N -1.24 2.32 -0.04 -0.34 -4.23 -0.15 -1.58 115.64 110.39 2o3o s THR 151 Ca 0.53 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2o3o s THR 151 Cb -0.37 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.03 2o3o s THR 151 CO 0.48 0.00 -0.01 -0.47 -0.54 0.00 0.00 174.62 174.09 2o3o s TYR 152 N -2.59 0.46 -1.65 3.99 5.04 0.26 -4.82 117.35 118.03 2o3o s TYR 152 Ca 0.53 -0.06 -0.16 0.00 -2.44 0.00 0.00 57.07 54.94 2o3o s TYR 152 Cb -0.06 -0.54 0.13 0.00 0.35 0.00 0.00 41.96 41.85 2o3o s TYR 152 CO 0.32 -0.18 0.79 0.39 -1.34 0.00 0.00 175.55 175.53 2o3o n GLU 153 N 4.38 -3.56 -0.93 4.97 1.02 -1.26 -0.55 120.64 124.71 2o3o n GLU 153 Ca -0.21 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2o3o n GLU 153 Cb 0.50 -5.12 0.00 0.00 -0.02 0.00 0.00 31.44 26.81 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 -1.50 0.37 3.62 0.62 0.00 -1.26 -5.00 105.19 102.04 2o3o n GLY 154 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.93 3.12 0.32 1.61 3.76 0.28 -5.00 115.29 117.46 2o3o s HIS 155 Ca 0.00 0.03 -0.27 0.00 -0.15 0.00 0.00 55.06 54.67 2o3o s HIS 155 Cb 0.00 -1.87 -0.13 0.00 1.11 0.00 0.00 32.58 31.68 2o3o s HIS 155 CO 0.00 0.28 0.97 0.66 -0.85 0.00 0.00 174.74 175.80 2o3o n TYR 156 N 2.73 1.11 -3.32 1.40 4.02 -1.26 -0.58 117.16 121.27 2o3o n TYR 156 Ca -0.18 0.67 -0.47 0.00 -0.01 0.00 0.00 57.90 57.92 2o3o n TYR 156 Cb 0.53 -2.23 -0.02 0.00 -0.02 0.00 0.00 39.34 37.61 2o3o n TYR 156 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2o3o s ILE 157 N -1.13 5.66 0.21 -0.72 1.01 -0.61 -1.35 121.20 124.27 2o3o s ILE 157 Ca 0.60 -2.61 -0.32 0.00 0.00 0.00 0.00 60.65 58.32 2o3o s ILE 157 Cb -0.67 -4.50 -0.12 0.00 0.01 0.00 0.00 42.46 37.18 2o3o s ILE 157 CO 0.59 -1.07 1.66 -1.22 0.00 0.00 0.00 174.94 174.90 2o3o n TYR 158 N 3.82 2.64 -4.21 3.97 4.02 -0.42 -4.68 117.16 122.31 2o3o n TYR 158 Ca 0.16 0.14 -0.15 0.00 -0.01 0.00 0.00 57.90 58.04 2o3o n TYR 158 Cb 0.46 -2.62 -0.09 0.00 -0.02 0.00 0.00 39.34 37.07 2o3o n TYR 158 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 2o3o s GLN 159 N 0.75 1.49 0.04 -0.72 -0.21 -1.26 -4.53 119.66 115.22 2o3o s GLN 159 Ca 0.74 -1.76 -0.27 0.00 0.02 0.00 0.00 55.36 54.08 2o3o s GLN 159 Cb -0.55 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 33.73 2o3o s GLN 159 CO 0.37 -0.54 0.87 0.15 -2.12 0.00 0.00 175.29 174.02 2o3o s LYS 160 N -3.79 4.57 -0.01 2.91 1.02 -1.26 -4.92 119.74 118.26 2o3o s LYS 160 Ca 0.38 1.25 0.10 0.00 0.02 0.00 0.00 55.97 57.72 2o3o s LYS 160 Cb 0.04 -3.40 0.31 0.00 -0.52 0.00 0.00 37.83 34.26 2o3o s LYS 160 CO 0.18 0.16 1.23 0.25 -0.92 0.00 0.00 175.35 176.26 2o3o n THR 161 N 3.16 0.53 0.20 2.17 -2.24 -1.26 -4.40 114.28 112.44 2o3o n THR 161 Ca 0.01 -0.47 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2o3o n THR 161 Cb 0.50 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 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 1.98 -0.80 -5.06 3.42 3.32 -1.94 -3.49 116.42 113.85 2o3o h ASP 162 Ca 0.00 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.15 2o3o h ASP 162 Cb 0.52 0.25 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 2o3o h ASP 162 CO 0.02 -0.42 0.15 0.54 -1.72 0.00 0.00 179.24 177.81 2o3o s ASN 163 N -3.43 -0.22 0.59 6.45 6.03 -1.26 -5.06 114.94 118.04 2o3o s ASN 163 Ca -0.11 -0.68 0.37 0.00 -1.03 0.00 0.00 52.86 51.41 2o3o s ASN 163 Cb 0.02 0.70 1.80 0.00 -3.03 0.00 0.00 41.25 40.73 2o3o s ASN 163 CO 0.35 -1.30 2.15 -0.65 -2.03 0.00 0.00 177.10 175.63 2o3o h PRO 164 N 2.06 0.00 0.31 3.55 0.11 -1.94 -3.13 132.00 132.96 2o3o h PRO 164 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 2o3o h PRO 164 Cb 1.25 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 2o3o h PRO 164 CO 0.26 0.03 -0.37 0.77 -0.21 0.00 0.00 178.00 178.47 2o3o h SER 165 N 0.00 -1.04 -2.78 -2.05 0.02 -1.97 -3.44 113.55 102.29 2o3o h SER 165 Ca -0.00 0.10 -0.67 0.00 -0.84 0.00 0.00 61.79 60.38 2o3o h SER 165 Cb 0.28 0.36 -0.17 0.00 0.14 0.00 0.00 62.40 63.01 2o3o h SER 165 CO 0.00 -0.50 0.34 0.20 -1.14 0.00 0.00 176.83 175.73 2o3o s ASN 166 N -4.61 6.21 0.00 3.07 0.01 -1.19 -5.11 114.94 113.33 2o3o s ASN 166 Ca -0.17 -1.29 0.00 0.00 -0.71 0.00 0.00 52.86 50.69 2o3o s ASN 166 Cb 0.06 -2.36 0.00 0.00 0.41 0.00 0.00 41.25 39.36 2o3o s ASN 166 CO 0.63 -1.25 0.00 2.30 -1.51 0.00 0.00 177.10 177.27 2o3o n ILE 168 N 5.69 0.00 -3.04 0.60 -5.35 -1.26 -3.99 119.36 112.01 2o3o n ILE 168 Ca -0.05 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.28 2o3o n ILE 168 Cb 0.44 0.00 -0.04 0.00 -1.74 0.00 0.00 39.64 38.31 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 0.92 3.12 3.28 0.00 -1.26 -3.70 105.19 107.54 2o3o n GLY 169 Ca 0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 0.30 0.73 -0.13 1.61 -0.21 -0.91 -0.14 119.66 120.91 2o3o s GLN 170 Ca 0.32 -1.28 0.01 0.00 0.02 0.00 0.00 55.36 54.43 2o3o s GLN 170 Cb 0.07 0.23 0.02 0.00 1.00 0.00 0.00 33.01 34.32 2o3o s GLN 170 CO -0.14 -0.17 -0.16 0.08 -2.12 0.00 0.00 175.29 172.78 2o3o s VAL 171 N -3.96 1.65 -0.27 1.09 1.01 -0.75 -1.33 120.40 117.84 2o3o s VAL 171 Ca 0.13 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2o3o s VAL 171 Cb 0.08 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.97 2o3o s VAL 171 CO -0.06 0.47 -0.01 -0.69 0.00 0.00 0.00 175.10 174.81 2o3o s VAL 172 N 1.17 3.15 0.02 2.92 1.01 -0.45 -0.30 120.40 127.93 2o3o s VAL 172 Ca -0.01 -1.05 -0.23 0.00 0.00 0.00 0.00 61.98 60.68 2o3o s VAL 172 Cb -0.14 -2.67 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2o3o s VAL 172 CO -0.06 0.08 0.70 -0.76 0.00 0.00 0.00 175.10 175.07 2o3o s LEU 173 N 1.34 4.43 -0.17 3.92 1.43 0.86 -1.16 118.68 129.33 2o3o s LEU 173 Ca -0.01 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 2o3o s LEU 173 Cb -0.18 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2o3o s LEU 173 CO -0.02 0.03 0.03 -1.00 0.23 0.00 0.00 176.35 175.63 2o3o s HIS 174 N -0.02 3.20 0.29 0.29 3.76 -0.59 -0.92 115.29 121.30 2o3o s HIS 174 Ca 0.36 0.00 0.09 0.00 -0.15 0.00 0.00 55.06 55.36 2o3o s HIS 174 Cb -0.19 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.43 2o3o s HIS 174 CO 0.21 0.15 0.04 -0.51 -0.85 0.00 0.00 174.74 173.77 2o3o s LEU 175 N 0.23 3.23 -0.12 0.89 1.43 -0.49 -0.19 118.68 123.67 2o3o s LEU 175 Ca 0.02 -0.67 -0.08 0.00 -1.03 0.00 0.00 54.13 52.37 2o3o s LEU 175 Cb -0.13 -1.73 0.04 0.00 0.03 0.00 0.00 46.19 44.40 2o3o s LEU 175 CO 0.01 -0.08 0.29 0.21 0.23 0.00 0.00 176.35 177.01 2o3o s ASN 176 N -3.72 -0.32 0.05 2.29 2.47 -0.50 -4.86 114.94 110.34 2o3o s ASN 176 Ca 0.33 0.60 0.00 0.00 0.42 0.00 0.00 52.86 54.22 2o3o s ASN 176 Cb -0.05 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 2o3o s ASN 176 CO 0.21 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 174.06 2o3o n GLY 177 N 3.64 2.01 2.67 1.21 0.00 -1.26 -2.77 105.19 110.68 2o3o n GLY 177 Ca -0.19 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2o3o n GLY 177 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2o3o n LYS 178 N 0.00 2.62 -4.03 1.61 5.02 -1.26 -4.87 118.16 117.25 2o3o n LYS 178 Ca 0.00 -2.88 -0.40 0.00 -2.02 0.00 0.00 58.31 53.02 2o3o n LYS 178 Cb 0.00 -2.21 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 2o3o n LYS 178 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2o3o n ASN 179 N 0.30 -3.19 -4.48 4.39 3.02 -1.18 -4.63 115.26 109.48 2o3o n ASN 179 Ca 0.51 -1.22 -0.34 0.00 -0.03 0.00 0.00 54.58 53.51 2o3o n ASN 179 Cb 0.41 -2.10 -0.12 0.00 -0.61 0.00 0.00 39.78 37.36 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 -7.08 3.58 -0.08 3.52 2.02 -1.12 -2.26 118.70 117.28 2o3o s GLU 180 Ca 0.37 -0.55 -0.30 0.00 0.02 0.00 0.00 54.97 54.52 2o3o s GLU 180 Cb -0.19 -2.85 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 2o3o s GLU 180 CO 0.95 0.26 1.43 0.08 0.02 0.00 0.00 175.26 178.00 2o3o s VAL 181 N 0.29 3.90 -0.19 2.63 1.01 -0.29 -1.41 120.40 126.35 2o3o s VAL 181 Ca -0.05 1.15 -0.15 0.00 0.00 0.00 0.00 61.98 62.94 2o3o s VAL 181 Cb -0.14 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.41 2o3o s VAL 181 CO 0.03 -0.07 -0.19 0.52 0.00 0.00 0.00 175.10 175.39 2o3o n VAL 182 N 5.20 1.48 -4.41 2.92 0.31 0.74 -1.75 118.33 122.82 2o3o n VAL 182 Ca 0.15 0.06 -0.21 0.00 -0.01 0.00 0.00 64.34 64.32 2o3o n VAL 182 Cb 0.44 -2.24 -0.09 0.00 -0.91 0.00 0.00 33.84 31.04 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 -6.26 2.02 0.01 4.52 1.04 -1.23 -0.93 113.70 112.87 2o3o s SER 183 Ca -0.25 -1.51 -0.10 0.00 0.48 0.00 0.00 55.95 54.57 2o3o s SER 183 Cb 0.05 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.44 2o3o s SER 183 CO 0.39 -0.80 0.20 -0.72 0.98 0.00 0.00 173.24 173.29 2o3o s TYR 184 N -3.45 -0.00 -0.04 5.02 -0.85 -1.26 -1.54 117.35 115.23 2o3o s TYR 184 Ca 0.33 -0.10 -0.00 0.00 -0.52 0.00 0.00 57.07 56.78 2o3o s TYR 184 Cb 0.06 -0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2o3o s TYR 184 CO 0.15 -0.37 0.03 -0.51 -1.52 0.00 0.00 175.55 173.33 2o3o s ASP 185 N -1.65 5.34 -0.03 -0.18 1.01 -0.31 -4.26 116.67 116.58 2o3o s ASP 185 Ca -0.11 0.10 -0.05 0.00 0.71 0.00 0.00 52.55 53.20 2o3o s ASP 185 Cb -0.04 -1.48 0.01 0.00 1.01 0.00 0.00 42.92 42.41 2o3o s ASP 185 CO 0.00 0.32 0.13 -1.58 0.21 0.00 0.00 175.17 174.25 2o3o s GLN 186 N -1.34 0.25 0.00 8.23 0.74 0.28 -1.34 119.66 126.48 2o3o s GLN 186 Ca 0.18 -0.01 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 2o3o s GLN 186 Cb -0.12 0.11 -0.00 0.00 1.10 0.00 0.00 33.01 34.10 2o3o s GLN 186 CO 0.08 -0.04 0.08 0.95 -0.55 0.00 0.00 175.29 175.81 2o3o s THR 187 N -0.38 0.08 0.00 -0.34 -4.23 -0.44 -0.26 115.64 110.07 2o3o s THR 187 Ca -0.05 -0.68 0.00 0.00 -1.18 0.00 0.00 61.69 59.78 2o3o s THR 187 Cb -0.03 -0.35 -0.00 0.00 1.34 0.00 0.00 72.50 73.46 2o3o s THR 187 CO 0.00 -0.38 -0.01 -0.89 -0.54 0.00 0.00 174.62 172.81 2o3o s THR 188 N -1.25 0.06 -0.02 3.99 2.01 -1.24 -2.13 115.64 117.05 2o3o s THR 188 Ca -0.14 -0.09 -0.10 0.00 0.31 0.00 0.00 61.69 61.67 2o3o s THR 188 Cb -0.08 -0.07 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 2o3o s THR 188 CO 0.01 -0.02 0.31 -0.76 -0.69 0.00 0.00 174.62 173.46 2o3o s LEU 189 N -0.12 4.41 0.17 4.42 1.43 -1.26 -0.74 118.68 126.99 2o3o s LEU 189 Ca -0.01 0.73 -0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2o3o s LEU 189 Cb -0.01 -2.53 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 2o3o s LEU 189 CO -0.00 0.31 0.07 -1.83 0.23 0.00 0.00 176.35 175.13 2o3o s GLU 190 N -1.33 1.08 -0.90 1.70 -1.05 0.16 -4.87 118.70 113.49 2o3o s GLU 190 Ca 0.24 -1.54 -0.04 0.00 -0.15 0.00 0.00 54.97 53.47 2o3o s GLU 190 Cb -0.14 0.12 -0.03 0.00 -0.44 0.00 0.00 34.13 33.64 2o3o s GLU 190 CO 0.12 -0.28 0.80 2.41 0.95 0.00 0.00 175.26 179.26 2o3o n THR 191 N -0.21 -9.31 -2.44 1.83 -1.04 -1.26 -0.25 114.28 101.59 2o3o n THR 191 Ca -0.03 -0.78 -0.38 0.00 -2.04 0.00 0.00 64.05 60.82 2o3o n THR 191 Cb 0.65 -6.50 -0.03 0.00 -1.82 0.00 0.00 70.33 62.62 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 -3.20 3.29 -0.08 -1.42 0.40 -1.26 -4.08 117.98 111.63 2o3o s PHE 192 Ca 0.23 1.63 -0.01 0.00 -0.60 0.00 0.00 56.93 58.18 2o3o s PHE 192 Cb -0.04 -3.26 0.03 0.00 0.51 0.00 0.00 43.02 40.26 2o3o s PHE 192 CO 0.76 -0.84 -0.02 0.21 0.70 0.00 0.00 175.22 176.03 2o3o s LYS 193 N -2.14 0.82 -0.41 0.44 2.20 -0.39 -4.99 119.74 115.26 2o3o s LYS 193 Ca 0.54 0.00 -0.26 0.00 -0.36 0.00 0.00 55.97 55.89 2o3o s LYS 193 Cb -0.28 -1.07 0.02 0.00 -1.51 0.00 0.00 37.83 34.99 2o3o s LYS 193 CO 0.35 -0.26 0.95 -0.65 -0.36 0.00 0.00 175.35 175.37 2o3o s GLN 194 N 1.76 3.73 -0.02 4.03 -0.21 -1.26 -1.23 119.66 126.46 2o3o s GLN 194 Ca 0.03 0.45 0.17 0.00 0.02 0.00 0.00 55.36 56.03 2o3o s GLN 194 Cb -0.13 -3.85 -0.26 0.00 1.00 0.00 0.00 33.01 29.77 2o3o s GLN 194 CO -0.05 -1.08 0.39 0.44 -2.12 0.00 0.00 175.29 172.88 2o3o n ILE 195 N 6.20 0.00 -3.71 1.08 -5.35 0.29 -4.94 119.36 112.92 2o3o n ILE 195 Ca 0.07 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.04 2o3o n ILE 195 Cb 0.48 0.16 -0.14 0.00 -1.74 0.00 0.00 39.64 38.40 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 -3.16 0.15 -0.04 6.28 0.74 -1.20 -4.99 119.66 117.45 2o3o s GLN 196 Ca -0.06 0.55 -0.09 0.00 0.05 0.00 0.00 55.36 55.81 2o3o s GLN 196 Cb 0.11 -0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.04 2o3o s GLN 196 CO 0.71 -0.21 0.26 0.21 -0.55 0.00 0.00 175.29 175.72 2o3o s LYS 197 N 1.60 3.62 0.16 1.67 2.20 -1.26 -0.52 119.74 127.22 2o3o s LYS 197 Ca -0.06 0.04 -0.16 0.00 -0.36 0.00 0.00 55.97 55.43 2o3o s LYS 197 Cb -0.11 -3.15 0.03 0.00 -1.51 0.00 0.00 37.83 33.09 2o3o s LYS 197 CO -0.08 0.70 0.45 -1.21 -0.36 0.00 0.00 175.35 174.85 2o3o s GLU 198 N -1.34 1.21 0.32 4.03 2.02 0.16 -4.97 118.70 120.13 2o3o s GLU 198 Ca 0.22 -0.80 -0.26 0.00 0.02 0.00 0.00 54.97 54.15 2o3o s GLU 198 Cb -0.14 0.49 -0.10 0.00 0.10 0.00 0.00 34.13 34.49 2o3o s GLU 198 CO 0.11 -0.49 0.96 0.45 0.02 0.00 0.00 175.26 176.31 2o3o s SER 199 N -2.84 7.32 0.01 -0.19 0.15 -1.26 0.93 113.70 117.82 2o3o s SER 199 Ca 0.06 1.88 -0.00 0.00 0.70 0.00 0.00 55.95 58.60 2o3o s SER 199 Cb 0.01 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2o3o s SER 199 CO -0.07 -0.08 0.10 -0.76 1.20 0.00 0.00 173.24 173.63 2o3o s LEU 200 N -1.99 3.98 0.63 3.45 1.43 -0.23 -2.54 118.68 123.41 2o3o s LEU 200 Ca 0.50 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.61 2o3o s LEU 200 Cb -0.20 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.59 2o3o s LEU 200 CO 0.26 0.25 1.07 0.27 0.23 0.00 0.00 176.35 178.42 2o3o s ILE 201 N -1.27 3.71 1.03 -0.59 -4.36 0.18 -4.08 121.20 115.82 2o3o s ILE 201 Ca 0.25 0.76 -0.17 0.00 -0.26 0.00 0.00 60.65 61.23 2o3o s ILE 201 Cb -0.12 -3.31 0.24 0.00 1.25 0.00 0.00 42.46 40.52 2o3o s ILE 201 CO 0.17 -0.52 1.29 0.35 0.24 0.00 0.00 174.94 176.46 2o3o n THR 202 N -2.31 0.00 0.50 8.37 -2.24 -1.26 -4.86 114.28 112.48 2o3o n THR 202 Ca 0.09 -0.88 0.00 0.00 -2.27 0.00 0.00 64.05 60.98 2o3o n THR 202 Cb 0.53 -1.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 2o3o n THR 202 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2o3o n GLU 203 N -4.01 0.50 0.00 -0.78 1.02 -1.19 -2.63 120.64 113.54 2o3o n GLU 203 Ca 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2o3o n GLU 203 Cb 0.58 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 0.36 0.00 -0.32 1.62 8.00 -1.26 -2.29 116.55 122.66 2o3o n ASP 205 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.49 2o3o n ASP 205 Cb 0.15 0.00 0.11 0.00 -0.02 0.00 0.00 41.12 41.36 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 1.15 -0.05 2.24 0.00 -1.85 0.75 119.26 121.50 2o3o h ALA 206 Ca 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2o3o h ALA 206 Cb 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2o3o h ALA 206 CO 0.00 0.41 -0.07 0.28 0.00 0.00 0.00 179.25 179.88 2o3o h VAL 207 N 1.10 1.40 -0.92 0.00 2.07 -1.77 -1.67 116.25 116.47 2o3o h VAL 207 Ca 0.35 -1.31 0.15 0.00 0.82 0.00 0.00 66.70 66.71 2o3o h VAL 207 Cb 0.00 2.16 -0.09 0.00 -1.52 0.00 0.00 31.29 31.84 2o3o h VAL 207 CO -0.12 0.36 0.52 -0.33 0.02 0.00 0.00 177.57 178.02 2o3o h GLU 208 N -0.35 0.72 -0.71 1.57 5.08 -1.82 0.02 114.58 119.10 2o3o h GLU 208 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2o3o h GLU 208 Cb 0.61 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2o3o h GLU 208 CO 0.02 0.48 0.36 1.25 -1.00 0.00 0.00 179.01 180.11 2o3o h LEU 209 N 0.75 0.90 -0.09 1.33 5.85 -0.60 0.12 115.31 123.57 2o3o h LEU 209 Ca 0.49 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.10 2o3o h LEU 209 Cb 0.66 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2o3o h LEU 209 CO -0.34 0.75 -0.03 -0.07 -0.34 0.00 0.00 178.44 178.42 2o3o h LEU 210 N 1.00 0.18 -1.06 2.25 3.38 -0.28 -2.23 115.31 118.55 2o3o h LEU 210 Ca 0.25 -0.39 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2o3o h LEU 210 Cb 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 2o3o h LEU 210 CO -0.03 0.53 0.63 0.22 0.09 0.00 0.00 178.44 179.87 2o3o h TYR 211 N -0.16 1.17 -0.30 1.13 3.20 -0.68 -1.64 116.97 119.69 2o3o h TYR 211 Ca 0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.97 2o3o h TYR 211 Cb 0.45 -0.39 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 2o3o h TYR 211 CO 0.06 0.66 0.05 -0.92 -1.64 0.00 0.00 178.16 176.37 2o3o h TYR 212 N 1.19 0.08 0.00 -3.82 3.20 -0.70 -1.48 116.97 115.44 2o3o h TYR 212 Ca 0.39 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.28 2o3o h TYR 212 Cb 0.05 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.33 2o3o h TYR 212 CO -0.00 0.01 0.00 1.04 -1.64 0.00 0.00 178.16 177.57 2o3o n GLN 213 N -5.10 0.62 -1.79 1.82 1.13 -0.67 -4.84 117.38 108.56 2o3o n GLN 213 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 2o3o n GLN 213 Cb 0.14 -1.29 -0.01 0.00 0.11 0.00 0.00 30.24 29.18 2o3o n GLN 213 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2o3o n ASN 214 N -0.79 -2.87 -1.11 1.08 5.15 -0.56 -4.92 115.26 111.24 2o3o n ASN 214 Ca 0.09 0.05 0.07 0.00 -0.60 0.00 0.00 54.58 54.19 2o3o n ASN 214 Cb 0.04 -1.77 0.25 0.00 -0.53 0.00 0.00 39.78 37.77 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 -2.01 2.63 -3.78 1.20 1.13 -0.90 -4.76 117.38 110.90 2o3o n GLN 215 Ca -0.07 -1.98 -0.29 0.00 -1.94 0.00 0.00 57.00 52.73 2o3o n GLN 215 Cb 0.43 -1.58 -0.16 0.00 0.11 0.00 0.00 30.24 29.04 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 -1.26 1.62 1.22 1.08 1.43 -1.26 -4.91 118.68 116.61 2o3o s LEU 216 Ca 0.36 -1.01 -0.14 0.00 -1.03 0.00 0.00 54.13 52.31 2o3o s LEU 216 Cb 0.21 -0.76 0.31 0.00 0.03 0.00 0.00 46.19 45.98 2o3o s LEU 216 CO 0.20 -0.30 1.01 -0.54 0.23 0.00 0.00 176.35 176.95 2o3o s LYS 217 N 1.72 -1.37 0.88 1.70 1.02 -1.26 -5.00 119.74 117.42 2o3o s LYS 217 Ca -0.01 0.69 -0.11 0.00 0.02 0.00 0.00 55.97 56.57 2o3o s LYS 217 Cb -0.17 -1.51 0.12 0.00 -0.52 0.00 0.00 37.83 35.75 2o3o s LYS 217 CO -0.10 -3.99 1.14 -1.21 -0.92 0.00 0.00 175.35 170.28 2o3o s GLU 218 N -4.55 1.31 -1.39 1.68 2.02 -1.26 -3.76 118.70 112.75 2o3o s GLU 218 Ca 0.69 1.51 -0.01 0.00 0.02 0.00 0.00 54.97 57.18 2o3o s GLU 218 Cb -0.23 -1.76 0.00 0.00 0.10 0.00 0.00 34.13 32.24 2o3o s GLU 218 CO 0.64 -2.41 0.06 0.66 0.02 0.00 0.00 175.26 174.23 2o3o n TYR 219 N -3.99 -1.30 -4.07 1.61 4.02 -0.16 -4.73 117.16 108.53 2o3o n TYR 219 Ca 0.12 0.06 -0.35 0.00 -0.01 0.00 0.00 57.90 57.71 2o3o n TYR 219 Cb 0.52 -3.37 -0.07 0.00 -0.02 0.00 0.00 39.34 36.40 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 -2.11 5.88 -0.08 7.72 1.04 -1.25 -4.82 113.70 120.08 2o3o s SER 220 Ca 0.04 0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.72 2o3o s SER 220 Cb -0.02 -1.78 -0.03 0.00 0.10 0.00 0.00 66.02 64.29 2o3o s SER 220 CO 0.05 0.34 0.02 -0.89 0.98 0.00 0.00 173.24 173.73 2o3o s THR 221 N -1.09 4.43 -0.53 2.02 2.01 -0.05 -2.48 115.64 119.96 2o3o s THR 221 Ca 0.19 -0.22 -0.19 0.00 0.31 0.00 0.00 61.69 61.78 2o3o s THR 221 Cb -0.12 -2.88 0.08 0.00 0.01 0.00 0.00 72.50 69.59 2o3o s THR 221 CO 0.09 0.59 0.63 -0.69 -0.69 0.00 0.00 174.62 174.55 2o3o s VAL 222 N -0.91 4.89 -0.04 3.82 1.01 -0.48 -1.72 120.40 126.96 2o3o s VAL 222 Ca 0.14 -0.73 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2o3o s VAL 222 Cb -0.11 -4.35 -0.21 0.00 0.00 0.00 0.00 36.38 31.70 2o3o s VAL 222 CO 0.03 -0.90 1.15 0.11 0.00 0.00 0.00 175.10 175.48 2o3o h LYS 223 N 9.04 0.07 -3.78 2.72 1.57 -0.66 -3.36 116.57 122.18 2o3o h LYS 223 Ca -0.28 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.35 2o3o h LYS 223 Cb 1.09 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 33.26 2o3o h LYS 223 CO 1.01 0.68 -0.41 -1.54 -0.57 0.00 0.00 179.45 178.62 2o3o s SER 224 N -5.94 0.13 -0.34 0.86 1.04 -1.19 -4.89 113.70 103.36 2o3o s SER 224 Ca -0.16 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.66 2o3o s SER 224 Cb 0.01 0.31 0.13 0.00 0.10 0.00 0.00 66.02 66.56 2o3o s SER 224 CO 0.70 -0.66 0.18 0.00 0.98 0.00 0.00 173.24 174.44 2o3o s LYS 226 N 1.37 2.53 0.07 0.00 -0.14 -0.76 -4.88 119.74 117.92 2o3o s LYS 226 Ca 0.15 -0.75 -0.05 0.00 -1.36 0.00 0.00 55.97 53.96 2o3o s LYS 226 Cb -0.21 -2.50 -0.05 0.00 -1.68 0.00 0.00 37.83 33.40 2o3o s LYS 226 CO -0.12 0.59 0.29 0.12 -0.76 0.00 0.00 175.35 175.48 2o3o s PHE 227 N -1.04 3.53 -0.58 3.18 2.19 -1.26 -0.28 117.98 123.71 2o3o s PHE 227 Ca 0.18 0.50 0.00 0.00 0.33 0.00 0.00 56.93 57.94 2o3o s PHE 227 Cb -0.11 -1.95 0.00 0.00 -1.31 0.00 0.00 43.02 39.65 2o3o s PHE 227 CO 0.09 0.55 0.00 0.41 1.83 0.00 0.00 175.22 178.10 2o3o n GLY 228 N 0.59 -0.62 3.36 13.12 0.00 -0.50 -4.41 105.19 116.72 2o3o n GLY 228 Ca -0.07 -0.55 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.29 1.66 0.01 1.61 1.51 -0.46 0.10 117.35 118.49 2o3o s TYR 229 Ca 0.00 -0.88 -0.06 0.00 -1.01 0.00 0.00 57.07 55.12 2o3o s TYR 229 Cb 0.00 -0.97 -0.00 0.00 -0.11 0.00 0.00 41.96 40.88 2o3o s TYR 229 CO 0.00 0.02 0.10 0.14 -1.11 0.00 0.00 175.55 174.70 2o3o s VAL 230 N -3.34 0.09 -0.21 0.71 -7.23 -0.53 -1.30 120.40 108.60 2o3o s VAL 230 Ca 0.29 -0.77 -0.29 0.00 -1.81 0.00 0.00 61.98 59.40 2o3o s VAL 230 Cb 0.06 -0.42 -0.01 0.00 0.56 0.00 0.00 36.38 36.56 2o3o s VAL 230 CO 0.10 -0.42 1.33 0.00 -0.31 0.00 0.00 175.10 175.79 2o3o s ALA 231 N -1.48 3.52 0.01 1.32 0.00 -1.26 -0.62 121.76 123.26 2o3o s ALA 231 Ca -0.15 0.36 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 2o3o s ALA 231 Cb -0.08 -3.70 -0.35 0.00 0.00 0.00 0.00 23.12 19.00 2o3o s ALA 231 CO 0.01 -1.46 0.91 0.37 0.00 0.00 0.00 175.76 175.59 2o3o h GLN 232 N 8.87 0.50 -1.83 0.00 4.15 -0.82 -3.48 115.11 122.50 2o3o h GLN 232 Ca -0.28 -0.86 0.05 0.00 0.77 0.00 0.00 58.65 58.34 2o3o h GLN 232 Cb 1.11 0.32 -0.20 0.00 0.21 0.00 0.00 27.48 28.92 2o3o h GLN 232 CO 0.99 1.41 0.45 1.52 -1.93 0.00 0.00 178.83 181.28 2o3o s TYR 233 N -2.59 -0.43 0.32 3.99 -0.85 -1.23 -5.03 117.35 111.53 2o3o s TYR 233 Ca -0.11 0.65 -0.22 0.00 -0.52 0.00 0.00 57.07 56.87 2o3o s TYR 233 Cb 0.04 0.46 -0.10 0.00 0.38 0.00 0.00 41.96 42.75 2o3o s TYR 233 CO 0.92 -0.45 0.86 -1.25 -1.52 0.00 0.00 175.55 174.11 2o3o s PRO 234 N -1.59 4.34 0.09 -3.49 0.04 -1.26 -1.76 135.00 131.36 2o3o s PRO 234 Ca -0.02 1.07 0.09 0.00 0.04 0.00 0.00 61.00 62.18 2o3o s PRO 234 Cb -0.00 -2.63 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 2o3o s PRO 234 CO 0.01 0.22 -0.24 -0.51 0.04 0.00 0.00 177.00 176.52 2o3o s LEU 235 N -2.42 2.25 0.00 -3.56 1.43 0.28 -4.95 118.68 111.71 2o3o s LEU 235 Ca 0.52 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2o3o s LEU 235 Cb -0.15 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 44.96 2o3o s LEU 235 CO 0.20 0.17 0.00 0.41 0.23 0.00 0.00 176.35 177.35 2o3o n THR 236 N 1.31 0.00 -1.60 5.49 -1.04 -1.26 0.24 114.28 117.41 2o3o n THR 236 Ca -0.18 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.89 2o3o n THR 236 Cb 0.53 0.00 0.12 0.00 -1.82 0.00 0.00 70.33 69.16 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 0.00 1.53 -3.73 8.00 2.88 -1.26 -5.03 113.62 116.01 2o3o n SER 237 Ca 0.00 -2.97 -0.18 0.00 -1.33 0.00 0.00 58.87 54.39 2o3o n SER 237 Cb 0.00 -0.40 -0.17 0.00 -0.75 0.00 0.00 64.21 62.89 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 -2.03 -0.04 0.26 2.46 2.01 0.66 -2.38 115.64 116.58 2o3o s THR 238 Ca 0.28 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.43 2o3o s THR 238 Cb 0.27 -0.15 -0.08 0.00 0.01 0.00 0.00 72.50 72.55 2o3o s THR 238 CO -0.03 0.14 0.67 -1.10 -0.69 0.00 0.00 174.62 173.61 2o3o s GLN 239 N 1.60 4.01 -0.30 4.92 -1.52 -0.47 0.10 119.66 128.00 2o3o s GLN 239 Ca -0.02 0.61 -0.02 0.00 -1.95 0.00 0.00 55.36 53.98 2o3o s GLN 239 Cb -0.13 -2.64 0.05 0.00 -0.22 0.00 0.00 33.01 30.07 2o3o s GLN 239 CO -0.03 0.29 0.00 0.08 -0.25 0.00 0.00 175.29 175.38 2o3o s VAL 240 N -1.78 3.01 0.26 1.09 1.01 -0.72 -1.42 120.40 121.84 2o3o s VAL 240 Ca 0.48 -1.38 -0.14 0.00 0.00 0.00 0.00 61.98 60.94 2o3o s VAL 240 Cb -0.12 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.44 2o3o s VAL 240 CO 0.19 -0.11 0.65 -0.76 0.00 0.00 0.00 175.10 175.07 2o3o s LEU 241 N 1.26 4.17 -0.06 3.92 1.43 0.51 -0.08 118.68 129.83 2o3o s LEU 241 Ca -0.05 1.16 0.03 0.00 -1.03 0.00 0.00 54.13 54.23 2o3o s LEU 241 Cb -0.20 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.25 2o3o s LEU 241 CO -0.01 -0.09 -0.13 0.00 0.23 0.00 0.00 176.35 176.35 2o3o s ALA 242 N -1.80 1.25 0.42 4.21 0.00 0.21 -2.01 121.76 124.04 2o3o s ALA 242 Ca 0.48 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2o3o s ALA 242 Cb -0.12 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.39 2o3o s ALA 242 CO 0.19 0.14 1.18 -1.25 0.00 0.00 0.00 175.76 176.02 2o3o s PRO 243 N 0.51 3.95 0.08 0.00 0.04 -1.26 -1.45 135.00 136.87 2o3o s PRO 243 Ca -0.12 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2o3o s PRO 243 Cb -0.14 -2.59 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2o3o s PRO 243 CO 0.03 -0.41 0.05 0.14 0.04 0.00 0.00 177.00 176.85 2o3o s VAL 244 N -1.44 0.18 -0.18 -0.36 -7.23 0.29 -1.53 120.40 110.12 2o3o s VAL 244 Ca 0.59 -1.66 -0.07 0.00 -1.81 0.00 0.00 61.98 59.04 2o3o s VAL 244 Cb -0.31 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2o3o s VAL 244 CO 0.38 -0.80 0.04 0.26 -0.31 0.00 0.00 175.10 174.68 2o3o s TRP 245 N -3.93 3.20 -0.28 2.82 0.52 -0.34 -1.41 118.94 119.52 2o3o s TRP 245 Ca 0.10 -0.01 -0.09 0.00 0.02 0.00 0.00 56.10 56.12 2o3o s TRP 245 Cb 0.07 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2o3o s TRP 245 CO -0.08 0.11 0.12 0.50 0.02 0.00 0.00 176.95 177.62 2o3o s ARG 246 N 0.39 3.61 -0.08 4.98 3.52 0.61 -0.74 118.95 131.23 2o3o s ARG 246 Ca 0.02 -0.53 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2o3o s ARG 246 Cb -0.13 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2o3o s ARG 246 CO 0.01 -0.27 -0.10 0.42 -0.81 0.00 0.00 175.30 174.55 2o3o s ILE 247 N 1.65 3.43 -0.24 4.11 1.01 0.94 -1.83 121.20 130.26 2o3o s ILE 247 Ca 0.06 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2o3o s ILE 247 Cb -0.16 -2.40 0.05 0.00 0.01 0.00 0.00 42.46 39.96 2o3o s ILE 247 CO 0.06 0.58 -0.12 -0.89 0.00 0.00 0.00 174.94 174.56 2o3o s THR 248 N -0.50 2.11 -0.07 2.92 2.01 -0.97 -0.03 115.64 121.10 2o3o s THR 248 Ca 0.07 -1.48 0.04 0.00 0.31 0.00 0.00 61.69 60.63 2o3o s THR 248 Cb -0.12 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 2o3o s THR 248 CO 0.02 0.07 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.15 2o3o s VAL 249 N 1.15 2.63 -0.06 3.82 1.01 -0.57 0.10 120.40 128.49 2o3o s VAL 249 Ca -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2o3o s VAL 249 Cb -0.19 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.14 2o3o s VAL 249 CO -0.07 0.56 -0.09 -1.83 0.00 0.00 0.00 175.10 173.68 2o3o s GLU 250 N -0.20 2.67 0.19 2.72 -1.05 -0.70 -0.33 118.70 122.00 2o3o s GLU 250 Ca -0.01 -0.60 -0.06 0.00 -0.15 0.00 0.00 54.97 54.15 2o3o s GLU 250 Cb -0.13 -2.53 0.02 0.00 -0.44 0.00 0.00 34.13 31.05 2o3o s GLU 250 CO 0.03 0.65 0.36 2.48 0.95 0.00 0.00 175.26 179.73 2o3o n TYR 251 N 2.19 -1.50 -4.78 4.83 0.18 -1.01 -0.87 117.16 116.19 2o3o n TYR 251 Ca -0.18 -0.99 -0.27 0.00 1.88 0.00 0.00 57.90 58.35 2o3o n TYR 251 Cb 0.53 0.42 -0.15 0.00 -0.38 0.00 0.00 39.34 39.76 2o3o n TYR 251 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 2o3o s GLU 252 N -2.13 1.53 0.00 -3.48 2.02 -1.26 -2.05 118.70 113.32 2o3o s GLU 252 Ca 0.10 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.18 2o3o s GLU 252 Cb -0.02 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.61 2o3o s GLU 252 CO 0.07 0.42 0.00 1.17 0.02 0.00 0.00 175.26 176.94 2o3o n LYS 253 N 2.04 0.00 -0.24 1.61 4.81 -1.26 -5.00 118.16 120.11 2o3o n LYS 253 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2o3o n LYS 253 Cb 0.53 -0.01 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 260 N 0.00 0.00 -3.69 1.64 5.02 -1.26 -5.17 118.16 114.70 2o3o n LYS 260 Ca 0.00 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.92 2o3o n LYS 260 Cb 0.03 -0.24 -0.10 0.00 -0.02 0.00 0.00 35.03 34.70 2o3o n LYS 260 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2o3o s THR 261 N -1.56 5.17 0.07 -0.18 2.01 -1.26 -4.96 115.64 114.94 2o3o s THR 261 Ca 0.00 0.12 0.05 0.00 0.31 0.00 0.00 61.69 62.16 2o3o s THR 261 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2o3o s THR 261 CO 0.00 0.34 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.45 2o3o s VAL 262 N 1.20 1.04 0.07 3.82 1.01 -0.87 -4.96 120.40 121.70 2o3o s VAL 262 Ca 0.07 -1.35 -0.18 0.00 0.00 0.00 0.00 61.98 60.52 2o3o s VAL 262 Cb -0.14 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 2o3o s VAL 262 CO 0.05 -0.30 0.54 -1.10 0.00 0.00 0.00 175.10 174.30 2o3o s GLN 263 N -1.91 4.12 0.12 2.72 -0.21 -1.26 -2.42 119.66 120.83 2o3o s GLN 263 Ca -0.01 0.65 0.07 0.00 0.02 0.00 0.00 55.36 56.09 2o3o s GLN 263 Cb -0.09 -3.20 -0.04 0.00 1.00 0.00 0.00 33.01 30.68 2o3o s GLN 263 CO 0.02 0.63 -0.18 -1.21 -2.12 0.00 0.00 175.29 172.43 2o3o s GLU 264 N -1.20 1.12 -0.10 2.91 2.02 0.55 -4.98 118.70 119.02 2o3o s GLU 264 Ca 0.29 -1.23 0.03 0.00 0.02 0.00 0.00 54.97 54.07 2o3o s GLU 264 Cb -0.18 -1.21 0.01 0.00 0.10 0.00 0.00 34.13 32.85 2o3o s GLU 264 CO 0.18 0.26 -0.18 0.71 0.02 0.00 0.00 175.26 176.25 2o3o s TYR 265 N -1.65 2.12 -0.04 1.61 1.51 -1.26 -1.50 117.35 118.13 2o3o s TYR 265 Ca 0.09 -0.92 0.07 0.00 -1.01 0.00 0.00 57.07 55.30 2o3o s TYR 265 Cb -0.08 -1.48 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 2o3o s TYR 265 CO 0.05 -0.42 -0.24 -0.06 -1.11 0.00 0.00 175.55 173.76 2o3o s PHE 266 N 0.67 2.41 -0.55 2.71 0.40 0.96 -4.96 117.98 119.63 2o3o s PHE 266 Ca -0.13 -0.53 -0.10 0.00 -0.60 0.00 0.00 56.93 55.57 2o3o s PHE 266 Cb -0.16 -1.55 0.14 0.00 0.51 0.00 0.00 43.02 41.95 2o3o s PHE 266 CO 0.03 -0.09 0.44 0.99 0.70 0.00 0.00 175.22 177.29 2o3o s THR 267 N -0.43 4.53 -0.06 0.64 2.01 -1.26 -0.04 115.64 121.03 2o3o s THR 267 Ca 0.04 -1.94 -0.13 0.00 0.31 0.00 0.00 61.69 59.97 2o3o s THR 267 Cb -0.12 -3.94 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 2o3o s THR 267 CO 0.01 -0.84 0.34 -0.69 -0.69 0.00 0.00 174.62 172.75 2o3o s VAL 268 N 1.11 5.18 -0.03 3.82 1.01 0.08 -4.94 120.40 126.63 2o3o s VAL 268 Ca 0.08 0.66 -0.30 0.00 0.00 0.00 0.00 61.98 62.42 2o3o s VAL 268 Cb -0.24 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 2o3o s VAL 268 CO -0.01 0.54 1.31 0.21 0.00 0.00 0.00 175.10 177.15 2o3o s ASN 269 N -0.72 6.94 0.11 3.32 3.04 -1.26 -1.20 114.94 125.15 2o3o s ASN 269 Ca 0.21 1.98 0.27 0.00 0.04 0.00 0.00 52.86 55.36 2o3o s ASN 269 Cb -0.15 -2.56 1.02 0.00 -1.54 0.00 0.00 41.25 38.02 2o3o s ASN 269 CO 0.10 -0.66 1.85 0.00 -3.04 0.00 0.00 177.10 175.34 2o3o n ALA 270 N 5.34 2.30 -1.97 1.71 0.00 -0.58 -4.86 120.51 122.45 2o3o n ALA 270 Ca 0.12 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 53.12 2o3o n ALA 270 Cb 0.45 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.37 2o3o n ALA 270 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2o3o s LEU 271 N -3.77 4.48 0.00 0.00 1.43 -1.26 -0.64 118.68 118.91 2o3o s LEU 271 Ca 0.12 1.63 0.18 0.00 -1.03 0.00 0.00 54.13 55.04 2o3o s LEU 271 Cb 0.16 -3.53 0.52 0.00 0.03 0.00 0.00 46.19 43.37 2o3o s LEU 271 CO 0.56 0.11 1.43 1.21 0.23 0.00 0.00 176.35 179.89 2o3o n GLU 272 N 1.15 2.35 -0.40 1.70 2.13 -1.05 -4.84 120.64 121.68 2o3o n GLU 272 Ca -0.03 -2.09 -0.08 0.00 0.66 0.00 0.00 57.16 55.62 2o3o n GLU 272 Cb 0.49 -1.46 -0.02 0.00 0.27 0.00 0.00 31.44 30.73 2o3o n GLU 272 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2o3o n SER 273 N 1.21 0.02 -0.10 4.31 2.88 -1.26 -4.47 113.62 116.22 2o3o n SER 273 Ca 0.20 -1.39 -0.12 0.00 -1.33 0.00 0.00 58.87 56.22 2o3o n SER 273 Cb 0.49 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.64 2o3o n SER 273 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2o3o n THR 274 N 4.35 1.49 -3.49 2.46 -2.24 -1.26 -4.95 114.28 110.64 2o3o n THR 274 Ca 0.08 0.06 -0.37 0.00 -2.27 0.00 0.00 64.05 61.55 2o3o n THR 274 Cb 0.11 -2.27 -0.08 0.00 -2.10 0.00 0.00 70.33 66.00 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 -2.72 5.27 0.62 2.28 1.01 -1.26 -5.10 121.20 121.29 2o3o s ILE 275 Ca -0.29 0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.98 2o3o s ILE 275 Cb 0.06 -3.66 0.09 0.00 0.01 0.00 0.00 42.46 38.96 2o3o s ILE 275 CO 0.41 0.32 0.85 -0.76 0.00 0.00 0.00 174.94 175.77 2o3o s LEU 276 N 0.95 3.11 0.09 2.97 1.43 -1.26 -5.11 118.68 120.85 2o3o s LEU 276 Ca 0.16 -0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 2o3o s LEU 276 Cb -0.14 -1.92 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 2o3o s LEU 276 CO 0.06 -1.49 0.47 -0.62 0.23 0.00 0.00 176.35 174.99 2o3o s ASP 277 N -4.66 6.77 0.00 2.29 3.68 -1.26 -5.28 116.67 118.22 2o3o s ASP 277 Ca 0.63 0.97 0.00 0.00 2.13 0.00 0.00 52.55 56.27 2o3o s ASP 277 Cb -0.06 -2.25 0.00 0.00 -1.45 0.00 0.00 42.92 39.16 2o3o s ASP 277 CO 0.41 0.19 0.00 0.41 0.13 0.00 0.00 175.17 176.30