#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buw s LEU 5 N 0.00 3.24 0.15 4.31 1.02 -1.26 -5.12 118.68 121.03 2buw s LEU 5 Ca 0.00 -0.32 -0.13 0.00 0.02 0.00 0.00 54.13 53.70 2buw s LEU 5 Cb 0.00 -1.99 -0.07 0.00 0.02 0.00 0.00 46.19 44.15 2buw s LEU 5 CO 0.00 0.16 0.54 -0.54 0.02 0.00 0.00 176.35 176.53 2buw s LYS 6 N -2.39 3.94 0.46 1.70 1.02 -1.26 -5.04 119.74 118.16 2buw s LYS 6 Ca 0.24 0.44 -0.24 0.00 0.02 0.00 0.00 55.97 56.43 2buw s LYS 6 Cb -0.11 -2.91 -0.09 0.00 -0.52 0.00 0.00 37.83 34.21 2buw s LYS 6 CO 0.16 0.47 1.26 -1.91 -0.92 0.00 0.00 175.35 174.41 2buw n GLU 7 N 0.71 1.81 -1.87 1.68 2.13 -1.26 -4.91 120.64 118.93 2buw n GLU 7 Ca -0.05 0.65 -0.41 0.00 0.66 0.00 0.00 57.16 58.00 2buw n GLU 7 Cb 0.52 -2.39 -0.02 0.00 0.27 0.00 0.00 31.44 29.81 2buw n GLU 7 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buw s THR 8 N -1.24 2.31 0.45 6.31 2.01 -1.26 -4.93 115.64 119.29 2buw s THR 8 Ca 0.64 0.25 -0.23 0.00 0.31 0.00 0.00 61.69 62.66 2buw s THR 8 Cb -0.49 -3.16 -0.08 0.00 0.01 0.00 0.00 72.50 68.79 2buw s THR 8 CO 0.56 0.04 1.14 -2.16 -0.69 0.00 0.00 174.62 173.51 2buw s PRO 9 N -0.31 3.82 0.67 4.92 0.04 -1.26 -5.02 135.00 137.86 2buw s PRO 9 Ca 0.63 1.72 -0.13 0.00 0.04 0.00 0.00 61.00 63.26 2buw s PRO 9 Cb -0.46 -2.42 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 2buw s PRO 9 CO 0.45 -0.49 1.07 0.45 0.04 0.00 0.00 177.00 178.52 2buw s SER 10 N -1.41 5.37 0.03 6.66 0.15 -1.26 -5.08 113.70 118.16 2buw s SER 10 Ca 0.63 1.75 -0.09 0.00 0.70 0.00 0.00 55.95 58.94 2buw s SER 10 Cb -0.27 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2buw s SER 10 CO 0.33 -1.45 0.18 -1.10 1.20 0.00 0.00 173.24 172.40 2buw s GLN 11 N -4.59 0.65 0.53 5.44 -1.52 -1.16 -4.93 119.66 114.09 2buw s GLN 11 Ca 0.61 -0.61 -0.21 0.00 -1.95 0.00 0.00 55.36 53.20 2buw s GLN 11 Cb -0.16 0.27 -0.07 0.00 -0.22 0.00 0.00 33.01 32.83 2buw s GLN 11 CO 0.47 -0.18 1.06 -2.37 -0.25 0.00 0.00 175.29 174.02 2buw n THR 12 N 0.81 3.25 0.24 -0.19 5.66 -1.21 -4.76 114.28 118.08 2buw n THR 12 Ca -0.19 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.42 2buw n THR 12 Cb 0.58 -1.26 0.52 0.00 -1.55 0.00 0.00 70.33 68.62 2buw n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2buw h GLY 13 N 1.05 0.00 -0.32 1.09 0.00 -1.74 -3.50 103.07 99.67 2buw h GLY 13 Ca -0.48 0.00 0.04 0.00 0.00 0.00 0.00 47.33 46.89 2buw h GLY 13 CO 0.54 0.00 -0.08 0.61 0.00 0.00 0.00 176.54 177.61 2buw n GLY 14 N 0.09 -1.96 0.16 4.60 0.00 -1.26 -3.95 105.19 102.86 2buw n GLY 14 Ca 0.00 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.68 2buw n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2buw h PRO 15 N -0.13 0.00 -0.41 1.61 0.13 -1.91 -3.10 132.00 128.19 2buw h PRO 15 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2buw h PRO 15 Cb 0.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.26 2buw h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 2buw n TYR 16 N -2.35 1.27 0.06 1.56 4.01 -1.26 -4.61 117.16 115.84 2buw n TYR 16 Ca 0.01 -0.76 0.21 0.00 -0.16 0.00 0.00 57.90 57.21 2buw n TYR 16 Cb 0.21 -0.33 0.73 0.00 -0.31 0.00 0.00 39.34 39.64 2buw n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2buw h VAL 17 N 2.73 0.37 -0.32 -0.72 3.04 -1.66 -0.59 116.25 119.10 2buw h VAL 17 Ca 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 66.70 65.72 2buw h VAL 17 Cb 1.51 0.61 -0.02 0.00 -2.01 0.00 0.00 31.29 31.39 2buw h VAL 17 CO 0.27 0.00 0.21 0.45 -1.01 0.00 0.00 177.57 177.50 2buw h HIS 18 N 0.00 0.28 -0.17 3.17 3.86 -1.88 -2.06 115.15 118.35 2buw h HIS 18 Ca 0.22 0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.48 2buw h HIS 18 Cb 1.20 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 29.54 2buw h HIS 18 CO 0.00 0.17 -0.08 0.82 0.86 0.00 0.00 177.93 179.70 2buw h ILE 19 N 0.29 0.74 0.00 2.45 2.04 -1.36 0.77 117.51 122.45 2buw h ILE 19 Ca 0.13 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.79 2buw h ILE 19 Cb 0.16 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2buw h ILE 19 CO -0.03 0.00 -1.06 1.23 0.00 0.00 0.00 178.15 178.29 2buw h GLY 20 N -0.06 0.00 0.00 5.37 0.00 -1.65 -3.32 103.07 103.41 2buw h GLY 20 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2buw h GLY 20 CO -0.21 0.00 -1.67 1.04 0.00 0.00 0.00 176.54 175.70 2buw n LEU 21 N -3.24 0.00 -3.19 3.11 4.77 -0.81 -4.72 117.00 112.93 2buw n LEU 21 Ca -0.03 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.76 2buw n LEU 21 Cb 0.91 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 42.07 2buw n LEU 21 CO 0.45 0.10 -0.23 0.18 -1.33 0.00 0.00 177.39 176.56 2buw n LEU 22 N -2.12 0.76 -0.27 2.23 4.77 0.14 -4.85 117.00 117.66 2buw n LEU 22 Ca -0.08 -4.98 0.26 0.00 -0.03 0.00 0.00 56.01 51.18 2buw n LEU 22 Cb 0.52 0.72 0.61 0.00 -2.33 0.00 0.00 43.42 42.94 2buw n LEU 22 CO 0.27 2.27 1.25 1.55 -1.33 0.00 0.00 177.39 181.40 2buw h PRO 23 N 3.06 0.22 -0.16 3.23 0.13 -1.32 0.18 132.00 137.35 2buw h PRO 23 Ca 0.10 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.19 2buw h PRO 23 Cb 0.97 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2buw h PRO 23 CO 0.49 0.15 -0.02 0.87 -0.23 0.00 0.00 178.00 179.27 2buw h LYS 24 N 0.23 0.23 0.00 0.86 1.57 -1.85 -0.16 116.57 117.46 2buw h LYS 24 Ca 0.52 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 59.19 2buw h LYS 24 Cb 1.62 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.88 2buw h LYS 24 CO -0.15 0.27 -0.36 0.37 -0.57 0.00 0.00 179.45 179.01 2buw h GLN 25 N 0.23 0.00 -0.57 3.15 4.15 -0.96 -2.35 115.11 118.76 2buw h GLN 25 Ca 0.05 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.47 2buw h GLN 25 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2buw h GLN 25 CO 0.01 0.36 0.00 0.00 -1.93 0.00 0.00 178.83 177.27 2buw n ALA 26 N -2.28 2.54 -3.42 3.38 0.00 -0.24 -4.95 120.51 115.54 2buw n ALA 26 Ca 0.00 -1.01 -0.19 0.00 0.00 0.00 0.00 53.44 52.24 2buw n ALA 26 Cb 0.52 -0.97 0.08 0.00 0.00 0.00 0.00 19.45 19.07 2buw n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2buw n ASN 27 N 1.03 -4.52 -4.13 0.00 3.02 -0.56 -5.02 115.26 105.09 2buw n ASN 27 Ca 0.19 -0.52 -0.33 0.00 -0.03 0.00 0.00 54.58 53.89 2buw n ASN 27 Cb 0.52 -4.64 -0.15 0.00 -0.61 0.00 0.00 39.78 34.90 2buw n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buw s ILE 28 N -3.30 2.28 -0.40 2.41 1.01 -0.25 -5.01 121.20 117.94 2buw s ILE 28 Ca 0.34 -1.08 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 2buw s ILE 28 Cb -0.15 -2.08 0.07 0.00 0.01 0.00 0.00 42.46 40.31 2buw s ILE 28 CO 0.66 0.36 0.23 -1.61 0.00 0.00 0.00 174.94 174.58 2buw s GLU 29 N 1.26 2.61 0.00 2.79 2.02 -1.26 -3.71 118.70 122.42 2buw s GLU 29 Ca 0.01 -1.38 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2buw s GLU 29 Cb -0.15 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2buw s GLU 29 CO -0.09 -0.88 0.00 1.55 0.02 0.00 0.00 175.26 175.85 2buw n VAL 30 N 4.90 0.00 -3.98 2.63 3.14 -1.26 -5.08 118.33 118.68 2buw n VAL 30 Ca -0.10 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.96 2buw n VAL 30 Cb 0.43 -0.08 -0.05 0.00 -1.06 0.00 0.00 33.84 33.09 2buw n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2buw s PHE 31 N -0.87 3.39 -0.10 1.45 2.99 -1.26 -5.02 117.98 118.55 2buw s PHE 31 Ca 0.00 0.20 -0.20 0.00 0.00 0.00 0.00 56.93 56.94 2buw s PHE 31 Cb 0.00 -1.72 -0.27 0.00 0.00 0.00 0.00 43.02 41.02 2buw s PHE 31 CO 0.00 0.57 0.64 1.49 -0.00 0.00 0.00 175.22 177.92 2buw h GLU 32 N 3.37 0.20 -5.01 0.44 4.81 -2.02 -3.43 114.58 112.95 2buw h GLU 32 Ca -0.47 -0.35 -0.64 0.00 -0.13 0.00 0.00 59.36 57.77 2buw h GLU 32 Cb 1.17 0.13 -0.16 0.00 0.63 0.00 0.00 28.75 30.52 2buw h GLU 32 CO 0.70 1.17 -0.33 -1.58 -0.73 0.00 0.00 179.01 178.24 2buw s HIS 33 N -2.42 3.23 -0.13 0.92 2.46 -1.26 -5.07 115.29 113.01 2buw s HIS 33 Ca -0.19 0.17 -0.01 0.00 0.47 0.00 0.00 55.06 55.50 2buw s HIS 33 Cb 0.03 -2.55 -0.02 0.00 -0.13 0.00 0.00 32.58 29.90 2buw s HIS 33 CO 0.76 -0.28 -0.10 -0.80 -2.47 0.00 0.00 174.74 171.85 2buw s ASN 34 N 1.70 4.32 0.30 9.88 0.01 -1.26 -5.10 114.94 124.80 2buw s ASN 34 Ca 0.12 -0.24 -0.29 0.00 -0.71 0.00 0.00 52.86 51.74 2buw s ASN 34 Cb -0.16 -1.62 -0.10 0.00 0.41 0.00 0.00 41.25 39.78 2buw s ASN 34 CO 0.11 0.18 1.21 -0.76 -1.51 0.00 0.00 177.10 176.33 2buw s LEU 35 N 0.25 4.49 0.00 0.60 1.43 -1.26 -5.00 118.68 119.18 2buw s LEU 35 Ca -0.07 2.48 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 2buw s LEU 35 Cb -0.15 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2buw s LEU 35 CO 0.04 -0.35 0.00 -0.90 0.23 0.00 0.00 176.35 175.37 2buw n ASP 36 N 1.04 0.00 -1.87 2.29 5.68 -1.26 -4.89 116.55 117.54 2buw n ASP 36 Ca -0.00 -0.62 0.07 0.00 -0.50 0.00 0.00 54.79 53.74 2buw n ASP 36 Cb 0.43 0.00 0.40 0.00 -1.14 0.00 0.00 41.12 40.82 2buw n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2buw n ASN 37 N -1.51 5.71 -4.20 -1.12 6.94 -1.00 -1.59 115.26 118.49 2buw n ASN 37 Ca 0.00 -2.93 -0.37 0.00 -0.02 0.00 0.00 54.58 51.26 2buw n ASN 37 Cb 0.00 -0.68 -0.12 0.00 -2.36 0.00 0.00 39.78 36.61 2buw n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2buw s ASN 38 N -0.82 5.18 0.00 0.53 3.04 -1.26 -1.97 114.94 119.63 2buw s ASN 38 Ca 0.55 -1.44 0.25 0.00 0.04 0.00 0.00 52.86 52.26 2buw s ASN 38 Cb 0.42 -1.81 0.54 0.00 -1.54 0.00 0.00 41.25 38.85 2buw s ASN 38 CO 0.16 -0.38 1.44 0.18 -3.04 0.00 0.00 177.10 175.46 2buw n LEU 39 N 4.70 1.70 -4.59 3.21 4.32 -0.09 -4.87 117.00 121.38 2buw n LEU 39 Ca -0.10 -0.56 -0.40 0.00 -0.02 0.00 0.00 56.01 54.93 2buw n LEU 39 Cb 0.43 -0.04 -0.09 0.00 -1.62 0.00 0.00 43.42 42.10 2buw n LEU 39 CO 0.31 0.30 0.11 -0.69 -1.22 0.00 0.00 177.39 176.20 2buw s VAL 40 N -2.30 5.13 0.34 4.08 1.01 -1.25 -4.61 120.40 122.79 2buw s VAL 40 Ca 0.27 0.47 0.07 0.00 0.00 0.00 0.00 61.98 62.79 2buw s VAL 40 Cb 0.19 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2buw s VAL 40 CO 0.46 0.03 0.40 -1.10 0.00 0.00 0.00 175.10 174.89 2buw s GLN 41 N 2.15 2.96 0.24 2.72 -0.21 -1.26 -4.99 119.66 121.27 2buw s GLN 41 Ca 0.16 -1.13 -0.05 0.00 0.02 0.00 0.00 55.36 54.36 2buw s GLN 41 Cb -0.16 -2.68 0.41 0.00 1.00 0.00 0.00 33.01 31.58 2buw s GLN 41 CO 0.11 0.08 1.76 0.38 -2.12 0.00 0.00 175.29 175.49 2buw h ASP 42 N 1.04 0.39 -0.32 5.90 2.03 -1.97 -1.72 116.42 121.76 2buw h ASP 42 Ca -0.45 0.09 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 2buw h ASP 42 Cb 1.26 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 2buw h ASP 42 CO 0.55 0.19 0.00 0.59 -1.03 0.00 0.00 179.24 179.54 2buw n ASN 43 N -4.92 2.04 -4.75 4.15 5.03 -1.26 -4.94 115.26 110.61 2buw n ASN 43 Ca 0.13 -1.89 -0.41 0.00 0.87 0.00 0.00 54.58 53.27 2buw n ASN 43 Cb 0.35 -0.21 -0.02 0.00 -1.02 0.00 0.00 39.78 38.89 2buw n ASN 43 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 2buw s THR 44 N -1.58 2.48 0.35 3.41 2.01 -0.65 -4.86 115.64 116.80 2buw s THR 44 Ca 0.29 0.40 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 2buw s THR 44 Cb 0.16 -3.26 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 2buw s THR 44 CO 0.22 0.06 0.75 -1.10 -0.69 0.00 0.00 174.62 173.86 2buw s GLN 45 N -0.34 3.92 0.00 4.92 -0.21 -1.26 -4.90 119.66 121.78 2buw s GLN 45 Ca 0.61 0.59 0.00 0.00 0.02 0.00 0.00 55.36 56.58 2buw s GLN 45 Cb -0.44 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.16 2buw s GLN 45 CO 0.44 0.08 0.00 0.41 -2.12 0.00 0.00 175.29 174.10 2buw n GLY 46 N -0.72 1.50 3.70 3.09 0.00 -1.26 -4.56 105.19 106.95 2buw n GLY 46 Ca 0.03 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.50 2buw n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buw s GLN 47 N -1.58 4.37 0.22 1.61 -2.07 -1.26 -4.93 119.66 116.02 2buw s GLN 47 Ca 0.00 0.75 -0.30 0.00 -1.82 0.00 0.00 55.36 53.99 2buw s GLN 47 Cb 0.00 -3.48 -0.09 0.00 -1.09 0.00 0.00 33.01 28.35 2buw s GLN 47 CO 0.00 0.00 1.30 1.03 -1.32 0.00 0.00 175.29 176.30 2buw s ARG 48 N 1.06 4.40 0.06 9.60 3.00 -1.26 -1.37 118.95 134.43 2buw s ARG 48 Ca 0.34 2.07 -0.02 0.00 0.00 0.00 0.00 55.73 58.11 2buw s ARG 48 Cb -0.17 -3.18 -0.03 0.00 0.00 0.00 0.00 34.95 31.57 2buw s ARG 48 CO 0.15 -0.22 0.01 0.96 0.00 0.00 0.00 175.30 176.19 2buw s ILE 49 N -0.13 0.21 -0.09 1.52 -4.36 0.09 -4.53 121.20 113.90 2buw s ILE 49 Ca 0.55 -1.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 2buw s ILE 49 Cb -0.37 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 2buw s ILE 49 CO 0.40 -0.94 -0.13 -0.60 0.24 0.00 0.00 174.94 173.91 2buw s ARG 50 N -3.90 2.97 -0.18 0.37 3.52 -0.34 -1.66 118.95 119.73 2buw s ARG 50 Ca 0.07 -0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 2buw s ARG 50 Cb 0.07 -2.52 -0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2buw s ARG 50 CO -0.10 0.41 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.55 2buw s LEU 51 N -0.17 2.84 0.07 -0.88 2.96 -0.39 -0.31 118.68 122.80 2buw s LEU 51 Ca -0.00 -0.35 -0.08 0.00 -0.22 0.00 0.00 54.13 53.47 2buw s LEU 51 Cb -0.13 -1.69 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 2buw s LEU 51 CO 0.03 0.06 0.17 -1.83 -1.32 0.00 0.00 176.35 173.46 2buw s GLU 52 N 0.97 0.78 0.00 1.98 -1.05 -0.73 -0.59 118.70 120.06 2buw s GLU 52 Ca -0.01 -0.89 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 2buw s GLU 52 Cb -0.15 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 2buw s GLU 52 CO -0.00 -0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.38 2buw n GLY 53 N 0.16 -0.95 3.24 -3.83 0.00 -0.96 -0.54 105.19 102.32 2buw n GLY 53 Ca -0.16 -0.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.91 2buw n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buw s GLN 54 N -0.46 1.09 -0.12 1.61 -0.21 -1.26 -1.88 119.66 118.44 2buw s GLN 54 Ca 0.00 -1.52 0.02 0.00 0.02 0.00 0.00 55.36 53.88 2buw s GLN 54 Cb 0.00 -0.33 -0.01 0.00 1.00 0.00 0.00 33.01 33.67 2buw s GLN 54 CO 0.00 -0.09 -0.19 0.08 -2.12 0.00 0.00 175.29 172.97 2buw s VAL 55 N -3.60 2.53 0.06 1.09 1.01 -1.26 -1.27 120.40 118.97 2buw s VAL 55 Ca 0.22 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2buw s VAL 55 Cb 0.06 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 2buw s VAL 55 CO 0.03 0.54 -0.13 -0.36 0.00 0.00 0.00 175.10 175.18 2buw s PHE 56 N 0.38 2.69 0.29 5.22 0.40 0.00 -0.55 117.98 126.41 2buw s PHE 56 Ca -0.14 -0.17 -0.00 0.00 -0.60 0.00 0.00 56.93 56.01 2buw s PHE 56 Cb -0.17 -1.47 0.06 0.00 0.51 0.00 0.00 43.02 41.94 2buw s PHE 56 CO 0.07 0.35 0.39 -0.40 0.70 0.00 0.00 175.22 176.33 2buw n ASP 57 N 1.19 0.52 0.21 1.36 5.68 0.27 -1.72 116.55 124.07 2buw n ASP 57 Ca -0.15 -1.44 0.15 0.00 -0.50 0.00 0.00 54.79 52.85 2buw n ASP 57 Cb 0.52 -0.26 0.74 0.00 -1.14 0.00 0.00 41.12 40.99 2buw n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2buw h GLY 58 N -0.24 0.00 -0.79 6.12 0.00 -1.89 -0.46 103.07 105.81 2buw h GLY 58 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2buw h GLY 58 CO 0.14 0.00 -0.18 1.04 0.00 0.00 0.00 176.54 177.54 2buw n LEU 59 N -2.54 1.89 0.00 3.11 4.77 -1.26 -4.86 117.00 118.10 2buw n LEU 59 Ca -0.01 -0.63 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 2buw n LEU 59 Cb 0.11 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2buw n LEU 59 CO 0.16 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 2buw n GLY 60 N 1.32 0.55 3.88 -0.72 0.00 -0.18 -5.05 105.19 104.98 2buw n GLY 60 Ca 0.14 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 45.12 2buw n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buw s LEU 61 N 0.00 4.23 0.47 0.99 1.43 -1.26 -4.80 118.68 119.74 2buw s LEU 61 Ca 0.00 0.25 -0.20 0.00 -1.03 0.00 0.00 54.13 53.15 2buw s LEU 61 Cb 0.00 -2.65 -0.09 0.00 0.03 0.00 0.00 46.19 43.48 2buw s LEU 61 CO 0.00 0.23 0.99 -2.16 0.23 0.00 0.00 176.35 175.64 2buw s PRO 62 N -2.13 3.99 -0.24 1.29 0.04 -1.26 -0.56 135.00 136.14 2buw s PRO 62 Ca 0.29 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.26 2buw s PRO 62 Cb -0.13 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2buw s PRO 62 CO 0.21 -0.25 0.96 -0.51 0.04 0.00 0.00 177.00 177.45 2buw s LEU 63 N -3.45 4.09 -0.04 -3.56 1.02 0.29 -4.85 118.68 112.18 2buw s LEU 63 Ca 0.64 1.24 0.20 0.00 0.02 0.00 0.00 54.13 56.23 2buw s LEU 63 Cb -0.12 -3.40 0.64 0.00 0.02 0.00 0.00 46.19 43.33 2buw s LEU 63 CO 0.18 -0.61 1.54 0.54 0.02 0.00 0.00 176.35 178.02 2buw n ARG 64 N 6.20 2.98 -0.33 1.70 1.74 -1.26 -4.17 116.66 123.52 2buw n ARG 64 Ca 0.09 -2.59 0.03 0.00 -0.77 0.00 0.00 57.85 54.62 2buw n ARG 64 Cb 0.47 -1.66 0.05 0.00 -1.02 0.00 0.00 32.46 30.29 2buw n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2buw n ASP 65 N 1.37 0.80 -4.85 0.55 5.68 -1.26 -4.23 116.55 114.61 2buw n ASP 65 Ca 0.24 -2.32 -0.32 0.00 -0.50 0.00 0.00 54.79 51.89 2buw n ASP 65 Cb 0.69 -0.26 -0.05 0.00 -1.14 0.00 0.00 41.12 40.35 2buw n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2buw s VAL 66 N -0.96 4.61 -0.06 2.12 0.11 -1.26 -4.63 120.40 120.34 2buw s VAL 66 Ca 0.10 1.05 0.05 0.00 -2.93 0.00 0.00 61.98 60.26 2buw s VAL 66 Cb 0.09 -3.65 -0.00 0.00 -1.53 0.00 0.00 36.38 31.29 2buw s VAL 66 CO 0.01 -0.36 -0.21 -0.22 -3.33 0.00 0.00 175.10 170.99 2buw s LEU 67 N -3.36 1.98 0.02 2.54 0.20 -0.14 -1.97 118.68 117.95 2buw s LEU 67 Ca 0.56 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 55.01 2buw s LEU 67 Cb -0.10 -1.17 -0.02 0.00 -0.43 0.00 0.00 46.19 44.47 2buw s LEU 67 CO 0.21 0.18 -0.20 -0.63 -0.29 0.00 0.00 176.35 175.62 2buw s ILE 68 N 0.03 1.60 0.10 6.68 -1.09 -0.20 -1.15 121.20 127.17 2buw s ILE 68 Ca -0.06 -1.06 0.04 0.00 -2.23 0.00 0.00 60.65 57.34 2buw s ILE 68 Cb -0.13 -1.37 -0.03 0.00 -1.58 0.00 0.00 42.46 39.34 2buw s ILE 68 CO 0.04 0.28 -0.12 -1.61 -1.23 0.00 0.00 174.94 172.30 2buw s GLU 69 N -0.92 0.88 0.10 2.79 2.02 -0.64 -0.66 118.70 122.26 2buw s GLU 69 Ca 0.07 -1.14 0.04 0.00 0.02 0.00 0.00 54.97 53.96 2buw s GLU 69 Cb -0.08 -0.67 -0.04 0.00 0.10 0.00 0.00 34.13 33.44 2buw s GLU 69 CO 0.01 0.12 -0.10 0.96 0.02 0.00 0.00 175.26 176.27 2buw s ILE 70 N -2.15 0.93 -0.02 -1.63 -4.36 -0.86 -1.55 121.20 111.56 2buw s ILE 70 Ca 0.05 -1.65 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2buw s ILE 70 Cb -0.05 -1.36 0.03 0.00 1.25 0.00 0.00 42.46 42.32 2buw s ILE 70 CO 0.01 -0.57 0.03 0.86 0.24 0.00 0.00 174.94 175.51 2buw s TRP 71 N -2.47 0.04 0.20 1.37 -0.00 -0.20 -2.63 118.94 115.25 2buw s TRP 71 Ca 0.06 0.11 -0.17 0.00 -0.00 0.00 0.00 56.10 56.09 2buw s TRP 71 Cb -0.03 -0.22 0.02 0.00 -0.00 0.00 0.00 33.47 33.25 2buw s TRP 71 CO -0.00 -0.08 0.53 1.14 -0.00 0.00 0.00 176.95 178.54 2buw s GLN 72 N 0.95 1.41 0.72 5.86 -2.07 -0.32 -0.91 119.66 125.30 2buw s GLN 72 Ca -0.08 -0.90 -0.06 0.00 -1.82 0.00 0.00 55.36 52.50 2buw s GLN 72 Cb -0.12 0.52 0.08 0.00 -1.09 0.00 0.00 33.01 32.41 2buw s GLN 72 CO -0.03 -0.60 1.03 0.00 -1.32 0.00 0.00 175.29 174.37 2buw s ALA 73 N -3.89 3.18 1.00 2.60 0.00 -1.26 -4.60 121.76 118.80 2buw s ALA 73 Ca 0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 2buw s ALA 73 Cb -0.01 -2.52 0.04 0.00 0.00 0.00 0.00 23.12 20.63 2buw s ALA 73 CO -0.01 -1.39 0.23 -0.40 0.00 0.00 0.00 175.76 174.18 2buw n ASP 74 N -2.95 -0.11 0.30 0.00 5.68 0.29 -4.55 116.55 115.20 2buw n ASP 74 Ca 0.09 -1.03 0.18 0.00 -0.50 0.00 0.00 54.79 53.53 2buw n ASP 74 Cb 0.60 -0.18 0.94 0.00 -1.14 0.00 0.00 41.12 41.34 2buw n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2buw h THR 75 N -1.20 0.24 -0.62 2.12 1.03 -1.80 -0.75 112.91 111.93 2buw h THR 75 Ca -0.07 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 2buw h THR 75 Cb 0.21 1.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2buw h THR 75 CO 0.05 0.04 0.00 0.59 -0.01 0.00 0.00 175.52 176.19 2buw n ASN 76 N -3.35 3.69 -1.21 0.00 3.02 -1.26 -3.21 115.26 112.94 2buw n ASN 76 Ca -0.02 -1.99 -0.08 0.00 -0.03 0.00 0.00 54.58 52.46 2buw n ASN 76 Cb 0.17 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 2buw n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buw n GLY 77 N 1.59 0.22 3.44 7.41 0.00 -0.36 -4.73 105.19 112.77 2buw n GLY 77 Ca 0.23 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2buw n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buw s VAL 78 N -2.72 3.02 0.10 1.61 1.01 -1.26 -4.55 120.40 117.61 2buw s VAL 78 Ca 0.10 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 2buw s VAL 78 Cb -0.04 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.06 2buw s VAL 78 CO 0.12 0.57 0.63 -0.31 0.00 0.00 0.00 175.10 176.11 2buw s TYR 79 N -0.37 3.83 -1.36 5.22 1.51 -1.26 -0.55 117.35 124.37 2buw s TYR 79 Ca 0.04 1.37 -0.12 0.00 -1.01 0.00 0.00 57.07 57.35 2buw s TYR 79 Cb -0.12 -2.57 0.11 0.00 -0.11 0.00 0.00 41.96 39.27 2buw s TYR 79 CO 0.02 0.57 2.02 -0.35 -1.11 0.00 0.00 175.55 176.70 2buw n PRO 80 N 1.70 3.28 -3.76 -1.71 -0.04 -1.26 -4.75 135.00 128.46 2buw n PRO 80 Ca -0.09 -3.12 -0.13 0.00 -0.04 0.00 0.00 63.50 60.11 2buw n PRO 80 Cb 0.50 -3.09 -0.10 0.00 -0.04 0.00 0.00 33.50 30.77 2buw n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2buw s SER 81 N 1.93 -0.29 0.50 3.54 0.15 -1.26 -4.96 113.70 113.30 2buw s SER 81 Ca 0.43 0.44 0.33 0.00 0.70 0.00 0.00 55.95 57.85 2buw s SER 81 Cb 0.11 0.54 1.59 0.00 -1.71 0.00 0.00 66.02 66.56 2buw s SER 81 CO -0.04 -0.26 2.00 1.56 1.20 0.00 0.00 173.24 177.71 2buw h GLN 82 N 4.86 0.00 -0.00 5.44 4.20 -2.06 -1.84 115.11 125.71 2buw h GLN 82 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2buw h GLN 82 Cb 1.18 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.96 2buw h GLN 82 CO 0.34 0.00 -0.02 0.00 -0.67 0.00 0.00 178.83 178.47 2buw n ALA 83 N -1.98 2.58 -2.63 3.87 0.00 -1.26 -4.76 120.51 116.33 2buw n ALA 83 Ca -0.01 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 2buw n ALA 83 Cb 0.18 -1.46 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 2buw n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2buw s ASP 84 N -2.43 7.19 -0.11 0.00 2.15 -0.70 -4.92 116.67 117.85 2buw s ASP 84 Ca 0.33 1.58 0.16 0.00 0.43 0.00 0.00 52.55 55.05 2buw s ASP 84 Cb 0.21 -2.55 0.58 0.00 -0.30 0.00 0.00 42.92 40.85 2buw s ASP 84 CO 0.44 -0.50 1.49 0.35 -0.17 0.00 0.00 175.17 176.78 2buw n THR 85 N 4.65 1.78 0.46 1.71 -2.24 -1.26 -4.57 114.28 114.82 2buw n THR 85 Ca 0.10 -1.33 0.11 0.00 -2.27 0.00 0.00 64.05 60.65 2buw n THR 85 Cb 0.48 0.11 0.44 0.00 -2.10 0.00 0.00 70.33 69.26 2buw n THR 85 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2buw n GLN 86 N 0.55 0.14 -1.15 -0.78 6.02 -1.26 -4.86 117.38 116.03 2buw n GLN 86 Ca 0.21 0.34 -0.05 0.00 -0.01 0.00 0.00 57.00 57.50 2buw n GLN 86 Cb 0.79 -1.75 -0.02 0.00 1.02 0.00 0.00 30.24 30.28 2buw n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2buw n GLY 87 N 0.15 0.72 3.75 1.08 0.00 -1.26 -4.99 105.19 104.64 2buw n GLY 87 Ca 0.03 -0.29 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 2buw n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buw s LYS 88 N -1.93 2.73 0.01 1.61 1.02 -1.26 -5.08 119.74 116.84 2buw s LYS 88 Ca 0.00 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.77 2buw s LYS 88 Cb 0.00 -2.56 -0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2buw s LYS 88 CO 0.00 0.48 0.92 -1.14 -0.92 0.00 0.00 175.35 174.69 2buw s GLN 88 N -3.00 4.56 0.43 1.68 0.74 -1.26 -5.04 119.66 117.78 2buw s GLN 88 Ca 0.30 1.32 -0.07 0.00 0.05 0.00 0.00 55.36 56.96 2buw s GLN 88 Cb -0.10 -3.44 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 2buw s GLN 88 CO 0.22 0.04 0.76 0.54 -0.55 0.00 0.00 175.29 176.29 2buw s VAL 88 N 0.72 4.88 0.12 1.34 0.11 -1.26 -4.98 120.40 121.34 2buw s VAL 88 Ca 0.48 0.34 -0.32 0.00 -2.93 0.00 0.00 61.98 59.55 2buw s VAL 88 Cb -0.21 -3.80 -0.12 0.00 -1.53 0.00 0.00 36.38 30.72 2buw s VAL 88 CO 0.26 -0.68 1.78 -0.67 -3.33 0.00 0.00 175.10 172.47 2buw n ASP 88 N -1.77 3.83 0.00 3.54 -0.08 -1.26 -4.85 116.55 115.96 2buw n ASP 88 Ca 0.01 1.01 0.13 0.00 -1.51 0.00 0.00 54.79 54.44 2buw n ASP 88 Cb 0.55 -1.51 0.66 0.00 2.34 0.00 0.00 41.12 43.15 2buw n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2buw n PRO 88 N 5.11 0.29 -2.42 -0.67 -0.04 -1.26 -3.71 135.00 132.31 2buw n PRO 88 Ca 0.18 0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.38 2buw n PRO 88 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2buw n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buw n ASN 88 N -1.34 5.11 -3.57 3.54 3.02 -1.26 -4.96 115.26 115.79 2buw n ASN 88 Ca 0.11 -3.74 -0.09 0.00 -0.03 0.00 0.00 54.58 50.83 2buw n ASN 88 Cb 0.24 -0.55 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 2buw n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2buw s PHE 89 N -3.62 -0.75 0.14 3.10 5.36 -1.24 -4.28 117.98 116.69 2buw s PHE 89 Ca 0.49 1.25 0.04 0.00 -0.96 0.00 0.00 56.93 57.74 2buw s PHE 89 Cb 0.40 0.18 -0.09 0.00 -0.34 0.00 0.00 43.02 43.17 2buw s PHE 89 CO -0.22 -0.53 1.33 1.25 -1.46 0.00 0.00 175.22 175.58 2buw h LEU 90 N 8.19 0.17 0.00 6.12 5.85 -1.92 -3.45 115.31 130.28 2buw h LEU 90 Ca -0.17 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2buw h LEU 90 Cb 1.12 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.10 2buw h LEU 90 CO 0.17 1.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.90 2buw n GLY 91 N 1.09 2.03 3.12 3.75 0.00 -1.26 -4.76 105.19 109.15 2buw n GLY 91 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 2buw n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2buw s TRP 92 N -3.34 0.90 0.23 1.61 -0.00 -1.26 -1.18 118.94 115.90 2buw s TRP 92 Ca 0.00 -0.54 -0.16 0.00 -0.00 0.00 0.00 56.10 55.40 2buw s TRP 92 Cb 0.00 -0.52 0.01 0.00 -0.00 0.00 0.00 33.47 32.96 2buw s TRP 92 CO 0.00 -0.03 0.53 0.20 -0.00 0.00 0.00 176.95 177.64 2buw s GLY 93 N -1.87 0.17 -0.02 5.86 0.00 -1.08 -4.79 107.32 105.59 2buw s GLY 93 Ca -0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 44.72 44.14 2buw s GLY 93 CO 0.01 -0.40 0.07 -1.60 0.00 0.00 0.00 173.10 171.18 2buw s ARG 94 N -3.94 0.12 0.23 2.90 3.52 -0.62 -2.04 118.95 119.13 2buw s ARG 94 Ca 0.15 0.03 -0.05 0.00 -0.13 0.00 0.00 55.73 55.73 2buw s ARG 94 Cb -0.01 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 2buw s ARG 94 CO 0.03 -0.02 0.28 -0.08 -0.81 0.00 0.00 175.30 174.71 2buw s THR 95 N -0.13 0.00 0.07 4.11 -1.32 0.16 -2.37 115.64 116.17 2buw s THR 95 Ca -0.02 -1.76 0.06 0.00 -1.21 0.00 0.00 61.69 58.77 2buw s THR 95 Cb -0.01 -2.39 -0.03 0.00 -1.51 0.00 0.00 72.50 68.55 2buw s THR 95 CO 0.00 0.00 -0.17 -0.83 -2.21 0.00 0.00 174.62 171.41 2buw s GLY 96 N -3.12 1.00 0.52 6.08 0.00 -1.26 -1.03 107.32 109.52 2buw s GLY 96 Ca 0.32 -1.04 -0.21 0.00 0.00 0.00 0.00 44.72 43.79 2buw s GLY 96 CO 0.12 -1.03 1.18 0.00 0.00 0.00 0.00 173.10 173.37 2buw s ALA 97 N -1.07 2.77 0.30 3.20 0.00 -0.83 -4.73 121.76 121.40 2buw s ALA 97 Ca 0.03 0.96 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2buw s ALA 97 Cb -0.09 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 19.51 2buw s ALA 97 CO 0.03 -0.88 1.43 0.34 0.00 0.00 0.00 175.76 176.68 2buw s ASP 98 N -1.50 6.60 0.53 0.00 2.15 -0.16 -4.78 116.67 119.50 2buw s ASP 98 Ca 0.70 2.78 0.25 0.00 0.43 0.00 0.00 52.55 56.71 2buw s ASP 98 Cb -0.29 -2.64 1.46 0.00 -0.30 0.00 0.00 42.92 41.15 2buw s ASP 98 CO 0.33 -0.71 2.12 -0.26 -0.17 0.00 0.00 175.17 176.47 2buw h PHE 99 N 4.21 0.00 0.03 -5.34 0.05 -1.92 0.14 116.94 114.11 2buw h PHE 99 Ca -0.48 0.00 -0.38 0.00 3.82 0.00 0.00 57.97 60.93 2buw h PHE 99 Cb 1.22 0.00 -0.06 0.00 2.00 0.00 0.00 35.95 39.12 2buw h PHE 99 CO 0.58 0.09 -2.34 0.41 -0.18 0.00 0.00 178.31 176.87 2buw n GLY 100 N -0.99 -0.42 0.04 -1.45 0.00 -1.26 -4.70 105.19 96.41 2buw n GLY 100 Ca -0.02 -0.19 0.03 0.00 0.00 0.00 0.00 46.02 45.83 2buw n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2buw n THR 101 N -3.39 0.52 -0.79 2.61 -2.24 -1.21 -4.99 114.28 104.79 2buw n THR 101 Ca -0.43 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 2buw n THR 101 Cb 0.99 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2buw n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2buw n GLY 102 N 1.48 0.84 3.79 3.38 0.00 0.49 -4.94 105.19 110.22 2buw n GLY 102 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 2buw n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2buw s PHE 103 N -3.26 3.38 0.09 1.61 0.40 -1.26 -4.45 117.98 114.49 2buw s PHE 103 Ca 0.00 1.67 0.03 0.00 -0.60 0.00 0.00 56.93 58.03 2buw s PHE 103 Cb 0.00 -3.02 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 2buw s PHE 103 CO 0.00 -0.32 -0.09 1.67 0.70 0.00 0.00 175.22 177.18 2buw s TRP 104 N -1.75 0.96 0.17 0.36 1.48 -0.79 -0.99 118.94 118.39 2buw s TRP 104 Ca 0.57 -0.69 -0.17 0.00 -1.06 0.00 0.00 56.10 54.75 2buw s TRP 104 Cb -0.19 -0.54 0.03 0.00 -1.16 0.00 0.00 33.47 31.62 2buw s TRP 104 CO 0.24 -0.05 0.49 -1.54 -4.06 0.00 0.00 176.95 172.03 2buw s SER 105 N -2.43 -0.27 0.04 -2.66 1.04 -1.26 -2.26 113.70 105.89 2buw s SER 105 Ca 0.04 -0.40 0.01 0.00 0.48 0.00 0.00 55.95 56.08 2buw s SER 105 Cb -0.02 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.62 2buw s SER 105 CO -0.01 -0.99 -0.05 -0.36 0.98 0.00 0.00 173.24 172.81 2buw s PHE 106 N -3.85 0.49 -0.25 5.02 0.40 0.24 -4.85 117.98 115.18 2buw s PHE 106 Ca 0.07 -0.57 -0.05 0.00 -0.60 0.00 0.00 56.93 55.79 2buw s PHE 106 Cb -0.00 -0.31 0.00 0.00 0.51 0.00 0.00 43.02 43.22 2buw s PHE 106 CO -0.06 -0.15 -0.00 -0.80 0.70 0.00 0.00 175.22 174.91 2buw s ASN 107 N -1.67 4.62 0.00 1.36 0.01 -0.83 -1.26 114.94 117.16 2buw s ASN 107 Ca -0.11 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.47 2buw s ASN 107 Cb -0.08 -1.78 0.00 0.00 0.41 0.00 0.00 41.25 39.80 2buw s ASN 107 CO -0.01 -0.10 0.00 1.07 -1.51 0.00 0.00 177.10 176.55 2buw n THR 108 N 4.80 0.00 -4.39 1.60 5.66 -0.67 -0.91 114.28 120.37 2buw n THR 108 Ca -0.17 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.63 2buw n THR 108 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 2buw n THR 108 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2buw s ILE 109 N -1.98 1.98 -0.16 1.09 -4.36 -1.26 -0.74 121.20 115.77 2buw s ILE 109 Ca 0.00 -2.27 -0.29 0.00 -0.26 0.00 0.00 60.65 57.83 2buw s ILE 109 Cb 0.00 -2.15 -0.01 0.00 1.25 0.00 0.00 42.46 41.55 2buw s ILE 109 CO 0.00 -0.51 1.13 -0.75 0.24 0.00 0.00 174.94 175.04 2buw s LYS 110 N -3.61 4.30 0.55 0.37 2.20 -0.47 -4.84 119.74 118.25 2buw s LYS 110 Ca 0.25 1.51 -0.18 0.00 -0.36 0.00 0.00 55.97 57.19 2buw s LYS 110 Cb -0.02 -3.65 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2buw s LYS 110 CO 0.10 -0.57 1.07 -1.25 -0.36 0.00 0.00 175.35 174.34 2buw s PRO 111 N 2.91 3.46 0.73 4.03 0.04 -1.26 -4.54 135.00 140.37 2buw s PRO 111 Ca 0.50 1.34 -0.10 0.00 0.04 0.00 0.00 61.00 62.78 2buw s PRO 111 Cb -0.19 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.35 2buw s PRO 111 CO 0.13 -0.72 1.08 0.20 0.04 0.00 0.00 177.00 177.74 2buw s GLY 112 N -2.33 1.63 0.32 0.56 0.00 -0.77 -4.71 107.32 102.02 2buw s GLY 112 Ca 0.67 -0.66 -0.28 0.00 0.00 0.00 0.00 44.72 44.45 2buw s GLY 112 CO 0.30 -0.25 1.12 0.00 0.00 0.00 0.00 173.10 174.27 2buw s ALA 113 N -3.36 3.32 -0.00 3.20 0.00 -1.26 -4.13 121.76 119.53 2buw s ALA 113 Ca 0.60 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.50 2buw s ALA 113 Cb -0.11 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2buw s ALA 113 CO 0.48 -0.27 -0.11 0.08 0.00 0.00 0.00 175.76 175.94 2buw s VAL 114 N -1.28 3.32 0.47 0.00 1.01 -1.25 -4.26 120.40 118.41 2buw s VAL 114 Ca 0.49 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 2buw s VAL 114 Cb -0.31 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.59 2buw s VAL 114 CO 0.39 0.43 1.33 -2.65 0.00 0.00 0.00 175.10 174.61 2buw n PRO 115 N 1.74 1.93 -0.99 2.72 -0.02 -1.26 -0.35 135.00 138.77 2buw n PRO 115 Ca -0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 2buw n PRO 115 Cb 0.52 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2buw n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2buw n GLY 116 N 0.74 2.54 3.84 -1.23 0.00 0.47 -4.61 105.19 106.95 2buw n GLY 116 Ca 0.07 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 2buw n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buw s ARG 117 N -1.16 3.14 -1.45 1.61 0.52 -1.26 -4.05 118.95 116.29 2buw s ARG 117 Ca 0.00 0.88 -0.01 0.00 -0.52 0.00 0.00 55.73 56.08 2buw s ARG 117 Cb 0.00 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.46 2buw s ARG 117 CO 0.00 -0.94 0.34 1.63 0.02 0.00 0.00 175.30 176.35 2buw n LYS 118 N -3.01 -2.74 -0.94 3.54 5.02 -1.26 -1.50 118.16 117.27 2buw n LYS 118 Ca 0.07 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2buw n LYS 118 Cb 0.54 -4.34 0.00 0.00 -0.02 0.00 0.00 35.03 31.21 2buw n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buw n GLY 119 N -2.09 0.46 3.93 0.72 0.00 -1.26 -5.02 105.19 101.93 2buw n GLY 119 Ca -0.30 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 2buw n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2buw s SER 120 N -2.25 4.18 -0.09 1.61 1.04 -0.56 -4.90 113.70 112.72 2buw s SER 120 Ca 0.00 0.35 0.03 0.00 0.48 0.00 0.00 55.95 56.81 2buw s SER 120 Cb 0.00 -0.75 0.00 0.00 0.10 0.00 0.00 66.02 65.38 2buw s SER 120 CO 0.00 -2.04 -0.21 -0.89 0.98 0.00 0.00 173.24 171.09 2buw s THR 121 N -3.49 1.81 0.33 2.02 2.01 -1.26 -0.40 115.64 116.66 2buw s THR 121 Ca 0.66 -0.87 -0.10 0.00 0.31 0.00 0.00 61.69 61.68 2buw s THR 121 Cb -0.08 -1.58 -0.07 0.00 0.01 0.00 0.00 72.50 70.78 2buw s THR 121 CO 0.48 0.50 0.68 -1.10 -0.69 0.00 0.00 174.62 174.50 2buw s GLN 122 N 0.47 3.81 0.66 4.92 -0.21 0.53 -4.60 119.66 125.23 2buw s GLN 122 Ca -0.17 0.40 -0.13 0.00 0.02 0.00 0.00 55.36 55.49 2buw s GLN 122 Cb -0.17 -2.49 -0.01 0.00 1.00 0.00 0.00 33.01 31.34 2buw s GLN 122 CO 0.07 0.12 1.06 0.00 -2.12 0.00 0.00 175.29 174.42 2buw s ALA 123 N -2.12 2.70 0.25 6.09 0.00 -1.26 -3.75 121.76 123.66 2buw s ALA 123 Ca 0.50 0.20 -0.31 0.00 0.00 0.00 0.00 51.96 52.35 2buw s ALA 123 Cb -0.10 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 2buw s ALA 123 CO 0.26 -1.07 1.47 -2.30 0.00 0.00 0.00 175.76 174.12 2buw n PRO 124 N -2.71 2.22 -3.70 0.00 -0.02 -1.26 -4.72 135.00 124.82 2buw n PRO 124 Ca 0.08 0.79 -0.10 0.00 -2.02 0.00 0.00 63.50 62.26 2buw n PRO 124 Cb 0.53 -2.49 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2buw n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2buw s HIS 125 N 0.05 -0.21 -0.07 6.00 -3.43 -1.26 -4.30 115.29 112.06 2buw s HIS 125 Ca 0.68 -0.13 0.04 0.00 -0.80 0.00 0.00 55.06 54.85 2buw s HIS 125 Cb -0.61 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 2buw s HIS 125 CO 0.48 -0.96 -0.18 0.42 -2.00 0.00 0.00 174.74 172.50 2buw s ILE 126 N -3.86 1.56 0.08 -5.38 1.01 -0.60 -4.68 121.20 109.33 2buw s ILE 126 Ca 0.08 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.74 2buw s ILE 126 Cb -0.02 -1.37 -0.06 0.00 0.01 0.00 0.00 42.46 41.02 2buw s ILE 126 CO -0.03 0.45 0.73 -0.44 0.00 0.00 0.00 174.94 175.64 2buw s SER 127 N 0.32 7.22 0.02 3.58 0.01 -0.09 -0.88 113.70 123.88 2buw s SER 127 Ca -0.12 1.45 0.02 0.00 1.31 0.00 0.00 55.95 58.62 2buw s SER 127 Cb -0.15 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.61 2buw s SER 127 CO 0.05 0.12 -0.08 -0.22 0.41 0.00 0.00 173.24 173.52 2buw s LEU 128 N -0.53 2.12 0.04 2.44 0.20 -0.43 -1.03 118.68 121.49 2buw s LEU 128 Ca 0.36 -0.32 0.03 0.00 0.69 0.00 0.00 54.13 54.89 2buw s LEU 128 Cb -0.21 -0.30 -0.02 0.00 -0.43 0.00 0.00 46.19 45.23 2buw s LEU 128 CO 0.23 -0.03 -0.10 -0.51 -0.29 0.00 0.00 176.35 175.65 2buw s ILE 129 N -0.68 0.73 -0.09 6.68 2.07 -0.60 -0.87 121.20 128.45 2buw s ILE 129 Ca -0.02 -0.99 0.05 0.00 -1.41 0.00 0.00 60.65 58.27 2buw s ILE 129 Cb -0.06 -0.73 -0.00 0.00 0.13 0.00 0.00 42.46 41.80 2buw s ILE 129 CO 0.00 -0.22 -0.24 -0.63 -1.91 0.00 0.00 174.94 171.95 2buw s ILE 130 N -1.10 2.03 -0.00 2.00 -1.09 -0.52 -1.61 121.20 120.91 2buw s ILE 130 Ca -0.05 -1.02 0.04 0.00 -2.23 0.00 0.00 60.65 57.39 2buw s ILE 130 Cb -0.09 -1.74 -0.01 0.00 -1.58 0.00 0.00 42.46 39.04 2buw s ILE 130 CO 0.01 0.56 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.80 2buw s PHE 131 N 0.21 1.01 -0.06 3.97 0.40 -0.30 -1.98 117.98 121.23 2buw s PHE 131 Ca -0.14 -0.21 -0.31 0.00 -0.60 0.00 0.00 56.93 55.67 2buw s PHE 131 Cb -0.17 -0.65 0.12 0.00 0.51 0.00 0.00 43.02 42.83 2buw s PHE 131 CO 0.07 -0.01 1.14 0.00 0.70 0.00 0.00 175.22 177.12 2buw s ALA 132 N -0.32 -2.02 0.39 5.36 0.00 -1.26 -0.97 121.76 122.94 2buw s ALA 132 Ca 0.04 1.02 -0.25 0.00 0.00 0.00 0.00 51.96 52.77 2buw s ALA 132 Cb -0.05 0.22 -0.11 0.00 0.00 0.00 0.00 23.12 23.19 2buw s ALA 132 CO -0.00 -0.81 1.03 -2.13 0.00 0.00 0.00 175.76 173.85 2buw n ARG 133 N -0.29 1.42 0.00 0.00 0.63 -1.24 -1.24 116.66 115.94 2buw n ARG 133 Ca -0.05 0.51 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2buw n ARG 133 Cb 0.61 -2.04 0.00 0.00 0.45 0.00 0.00 32.46 31.48 2buw n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2buw n GLY 134 N 1.15 2.67 3.33 5.14 0.00 -1.26 -4.94 105.19 111.29 2buw n GLY 134 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2buw n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buw s ILE 135 N -2.25 4.05 0.08 -0.61 1.01 -0.37 -4.98 121.20 118.13 2buw s ILE 135 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 60.65 59.95 2buw s ILE 135 Cb 0.00 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.29 2buw s ILE 135 CO 0.00 -0.04 1.50 0.78 0.00 0.00 0.00 174.94 177.18 2buw h ASN 136 N 8.27 0.00 -3.65 3.58 2.35 -1.90 -3.34 115.58 120.89 2buw h ASN 136 Ca -0.28 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.17 2buw h ASN 136 Cb 1.11 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.17 2buw h ASN 136 CO 0.61 0.64 -0.74 -0.63 -1.65 0.00 0.00 177.43 175.66 2buw s ILE 137 N -3.17 0.13 0.25 2.81 1.01 -1.26 -3.00 121.20 117.97 2buw s ILE 137 Ca 0.01 0.02 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 2buw s ILE 137 Cb 0.10 -0.18 -0.14 0.00 0.01 0.00 0.00 42.46 42.26 2buw s ILE 137 CO 0.76 0.09 1.27 0.61 0.00 0.00 0.00 174.94 177.67 2buw n GLY 138 N 3.60 0.43 3.66 6.18 0.00 -1.26 -4.93 105.19 112.86 2buw n GLY 138 Ca -0.20 0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2buw n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buw s LEU 139 N 0.09 4.13 -0.08 0.99 1.43 -0.84 -4.88 118.68 119.52 2buw s LEU 139 Ca 0.66 0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 54.07 2buw s LEU 139 Cb -0.69 -2.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.03 2buw s LEU 139 CO 0.54 -0.08 0.28 -1.00 0.23 0.00 0.00 176.35 176.31 2buw s HIS 140 N 1.44 3.63 0.35 0.29 3.76 -1.26 -1.43 115.29 122.07 2buw s HIS 140 Ca 0.17 0.74 -0.02 0.00 -0.15 0.00 0.00 55.06 55.79 2buw s HIS 140 Cb -0.15 -2.15 0.01 0.00 1.11 0.00 0.00 32.58 31.40 2buw s HIS 140 CO 0.08 0.61 0.50 -2.37 -0.85 0.00 0.00 174.74 172.71 2buw n THR 141 N 2.18 0.00 -4.17 1.30 5.66 -0.05 -0.88 114.28 118.32 2buw n THR 141 Ca -0.16 -1.75 -0.15 0.00 -3.05 0.00 0.00 64.05 58.93 2buw n THR 141 Cb 0.53 1.09 -0.11 0.00 -1.55 0.00 0.00 70.33 70.29 2buw n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2buw s ARG 142 N -2.77 0.82 -0.17 1.09 0.52 -1.26 -1.32 118.95 115.86 2buw s ARG 142 Ca 0.29 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 2buw s ARG 142 Cb -0.01 -0.60 0.01 0.00 0.52 0.00 0.00 34.95 34.87 2buw s ARG 142 CO 0.20 0.11 -0.19 0.08 0.02 0.00 0.00 175.30 175.53 2buw s VAL 143 N -2.02 2.25 0.44 3.52 1.01 -0.06 -4.75 120.40 120.78 2buw s VAL 143 Ca 0.02 -0.89 0.07 0.00 0.00 0.00 0.00 61.98 61.17 2buw s VAL 143 Cb -0.05 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2buw s VAL 143 CO 0.01 0.53 0.24 -0.31 0.00 0.00 0.00 175.10 175.57 2buw s TYR 144 N 1.09 2.40 -0.10 5.22 1.51 0.67 -1.56 117.35 126.58 2buw s TYR 144 Ca -0.00 -0.64 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 2buw s TYR 144 Cb -0.14 -1.96 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2buw s TYR 144 CO -0.07 0.03 -0.18 -0.06 -1.11 0.00 0.00 175.55 174.16 2buw s PHE 145 N -2.63 2.67 0.19 2.71 0.40 -1.26 -0.49 117.98 119.56 2buw s PHE 145 Ca 0.38 -0.66 0.35 0.00 -0.60 0.00 0.00 56.93 56.41 2buw s PHE 145 Cb 0.02 -1.73 1.63 0.00 0.51 0.00 0.00 43.02 43.44 2buw s PHE 145 CO 0.22 -0.19 2.05 0.38 0.70 0.00 0.00 175.22 178.38 2buw h ASP 146 N 6.35 0.00 -0.22 1.36 2.03 -1.65 -1.74 116.42 122.55 2buw h ASP 146 Ca -0.29 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.01 2buw h ASP 146 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2buw h ASP 146 CO 0.51 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.82 2buw n ASP 147 N -2.96 1.56 -2.34 4.15 3.85 -1.26 -3.68 116.55 115.87 2buw n ASP 147 Ca -0.00 -2.08 -0.23 0.00 -0.71 0.00 0.00 54.79 51.77 2buw n ASP 147 Cb 0.22 -0.26 0.01 0.00 -1.35 0.00 0.00 41.12 39.74 2buw n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2buw n GLU 148 N 0.18 3.20 -0.36 0.11 -0.58 -0.65 -4.88 120.64 117.66 2buw n GLU 148 Ca 0.08 -4.21 0.04 0.00 -0.42 0.00 0.00 57.16 52.65 2buw n GLU 148 Cb 0.29 -2.14 0.19 0.00 -0.57 0.00 0.00 31.44 29.21 2buw n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2buw h ALA 149 N 2.47 1.40 -0.13 0.62 0.00 -1.76 0.18 119.26 122.03 2buw h ALA 149 Ca 0.26 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2buw h ALA 149 Cb 1.20 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2buw h ALA 149 CO 0.74 0.35 0.07 1.49 0.00 0.00 0.00 179.25 181.90 2buw h GLU 150 N 1.09 0.19 -0.29 0.00 4.57 -1.93 -0.68 114.58 117.53 2buw h GLU 150 Ca 0.45 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.46 2buw h GLU 150 Cb 0.27 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 2buw h GLU 150 CO -0.20 0.25 -0.37 0.00 -1.18 0.00 0.00 179.01 177.51 2buw h ALA 151 N 0.94 0.82 -0.44 2.92 0.00 -1.79 -3.12 119.26 118.59 2buw h ALA 151 Ca 0.05 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2buw h ALA 151 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2buw h ALA 151 CO -0.01 0.64 -0.02 -0.91 0.00 0.00 0.00 179.25 178.96 2buw h ASN 152 N 0.54 0.70 0.31 0.00 2.35 -0.47 -2.45 115.58 116.56 2buw h ASN 152 Ca 0.05 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 2buw h ASN 152 Cb 0.88 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.06 2buw h ASN 152 CO 0.08 0.78 -0.06 0.00 -1.65 0.00 0.00 177.43 176.58 2buw h ALA 153 N 1.30 1.23 -0.13 -0.83 0.00 -1.06 -2.32 119.26 117.45 2buw h ALA 153 Ca 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2buw h ALA 153 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2buw h ALA 153 CO 0.02 0.08 0.00 1.63 0.00 0.00 0.00 179.25 180.98 2buw n LYS 154 N -3.49 1.67 -2.09 0.00 5.02 -1.01 -4.93 118.16 113.33 2buw n LYS 154 Ca -0.02 -1.69 -0.42 0.00 -2.02 0.00 0.00 58.31 54.16 2buw n LYS 154 Cb 0.19 -1.35 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 2buw n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2buw s ASP 155 N -1.34 6.75 0.13 4.39 -1.08 -0.87 -4.91 116.67 119.74 2buw s ASP 155 Ca 0.23 2.37 -0.18 0.00 -0.52 0.00 0.00 52.55 54.45 2buw s ASP 155 Cb 0.15 -2.58 -0.03 0.00 -1.46 0.00 0.00 42.92 39.01 2buw s ASP 155 CO 0.22 -0.74 1.77 -0.65 0.52 0.00 0.00 175.17 176.29 2buw h PRO 156 N 7.27 0.28 -0.35 4.34 0.11 -1.91 -1.24 132.00 140.50 2buw h PRO 156 Ca -0.41 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 2buw h PRO 156 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2buw h PRO 156 CO 0.89 0.18 0.03 0.28 -0.21 0.00 0.00 178.00 179.17 2buw h VAL 157 N 0.28 1.25 -0.81 3.15 2.07 -1.97 -1.84 116.25 118.38 2buw h VAL 157 Ca 0.10 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2buw h VAL 157 Cb 0.02 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2buw h VAL 157 CO -0.06 0.30 0.42 -0.07 0.02 0.00 0.00 177.57 178.18 2buw h LEU 158 N 0.42 1.03 -0.31 2.57 3.38 -1.88 -1.26 115.31 119.26 2buw h LEU 158 Ca 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2buw h LEU 158 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2buw h LEU 158 CO 0.01 0.84 0.00 0.59 0.09 0.00 0.00 178.44 179.98 2buw n ASN 159 N -4.33 0.39 -0.20 -0.43 3.02 -0.48 -2.26 115.26 110.97 2buw n ASN 159 Ca 0.08 0.58 0.14 0.00 -0.03 0.00 0.00 54.58 55.36 2buw n ASN 159 Cb 0.11 -0.67 0.65 0.00 -0.61 0.00 0.00 39.78 39.26 2buw n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2buw n SER 160 N -1.91 0.68 -4.54 6.41 3.41 -0.48 -4.64 113.62 112.55 2buw n SER 160 Ca 0.03 -0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 57.28 2buw n SER 160 Cb 0.24 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.10 2buw n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buw s ILE 161 N -2.24 4.81 -0.27 -1.33 1.01 -0.96 -4.94 121.20 117.28 2buw s ILE 161 Ca 0.35 0.37 0.28 0.00 0.00 0.00 0.00 60.65 61.64 2buw s ILE 161 Cb 0.21 -4.19 0.34 0.00 0.01 0.00 0.00 42.46 38.83 2buw s ILE 161 CO 0.42 -0.52 1.79 1.05 0.00 0.00 0.00 174.94 177.68 2buw h GLU 162 N 8.75 0.00 -4.88 2.79 4.11 -1.88 -3.37 114.58 120.09 2buw h GLU 162 Ca -0.26 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.48 2buw h GLU 162 Cb 1.10 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 30.16 2buw h GLU 162 CO 0.89 0.00 0.46 -1.58 0.07 0.00 0.00 179.01 178.85 2buw s TRP 163 N -3.39 3.05 0.52 2.06 0.51 -1.26 -4.91 118.94 115.52 2buw s TRP 163 Ca 0.05 -1.13 0.19 0.00 -2.12 0.00 0.00 56.10 53.08 2buw s TRP 163 Cb 0.08 -4.15 1.34 0.00 -0.81 0.00 0.00 33.47 29.93 2buw s TRP 163 CO 0.57 -1.41 2.14 0.00 -0.51 0.00 0.00 176.95 177.74 2buw h ALA 164 N 9.00 1.84 0.00 0.98 0.00 -1.98 -1.83 119.26 127.26 2buw h ALA 164 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2buw h ALA 164 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2buw h ALA 164 CO 1.08 0.04 0.00 1.79 0.00 0.00 0.00 179.25 182.17 2buw h THR 165 N 0.00 0.00 0.00 0.00 1.35 -1.94 -2.35 112.91 109.97 2buw h THR 165 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2buw h THR 165 Cb 0.07 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 2buw h THR 165 CO 0.00 0.00 -0.59 0.03 -0.25 0.00 0.00 175.52 174.72 2buw h ARG 166 N 0.00 0.00 -0.50 4.72 3.08 -1.73 -3.32 114.38 116.63 2buw h ARG 166 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2buw h ARG 166 Cb 0.22 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 2buw h ARG 166 CO 0.00 0.00 0.34 0.00 -1.07 0.00 0.00 179.97 179.24 2buw h ARG 167 N 0.00 0.42 0.00 0.04 3.08 -1.55 -2.07 114.38 114.31 2buw h ARG 167 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2buw h ARG 167 Cb 0.86 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2buw h ARG 167 CO 0.00 0.28 0.00 -0.56 -1.07 0.00 0.00 179.97 178.62 2buw h GLN 168 N 0.44 0.00 0.00 0.04 3.07 -1.75 -2.29 115.11 114.61 2buw h GLN 168 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2buw h GLN 168 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 2buw h GLN 168 CO -0.06 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.11 2buw n THR 169 N -2.93 1.00 0.75 1.86 -2.24 -0.78 -2.36 114.28 109.58 2buw n THR 169 Ca -0.00 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 2buw n THR 169 Cb 0.22 -1.27 0.23 0.00 -2.10 0.00 0.00 70.33 67.41 2buw n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2buw n LEU 170 N -2.03 2.91 -4.54 3.22 4.77 -0.86 -4.81 117.00 115.66 2buw n LEU 170 Ca 0.02 -1.15 -0.38 0.00 -0.03 0.00 0.00 56.01 54.47 2buw n LEU 170 Cb 0.16 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 2buw n LEU 170 CO 0.15 0.57 -0.19 -0.69 -1.33 0.00 0.00 177.39 175.90 2buw s VAL 171 N -1.73 5.01 0.40 4.08 1.01 -1.00 -0.23 120.40 127.93 2buw s VAL 171 Ca 0.35 -0.01 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 2buw s VAL 171 Cb 0.21 -3.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 2buw s VAL 171 CO 0.31 0.22 0.82 0.00 0.00 0.00 0.00 175.10 176.45 2buw s ALA 172 N 1.71 3.24 -0.20 5.51 0.00 0.36 -4.85 121.76 127.51 2buw s ALA 172 Ca 0.07 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 2buw s ALA 172 Cb -0.16 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.03 2buw s ALA 172 CO 0.09 0.11 0.23 0.15 0.00 0.00 0.00 175.76 176.34 2buw s LYS 173 N -3.42 4.16 0.21 0.00 1.02 -0.78 -1.69 119.74 119.24 2buw s LYS 173 Ca 0.56 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.17 2buw s LYS 173 Cb -0.10 -3.48 -0.08 0.00 -0.52 0.00 0.00 37.83 33.65 2buw s LYS 173 CO 0.22 0.14 0.99 0.50 -0.92 0.00 0.00 175.35 176.29 2buw s ARG 174 N 0.81 4.75 0.07 1.68 3.52 -1.26 -1.24 118.95 127.28 2buw s ARG 174 Ca 0.12 1.56 -0.05 0.00 -0.13 0.00 0.00 55.73 57.23 2buw s ARG 174 Cb -0.13 -3.29 -0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2buw s ARG 174 CO 0.04 0.33 0.10 -1.21 -0.81 0.00 0.00 175.30 173.74 2buw s GLU 175 N -0.81 0.73 -0.46 5.12 2.02 0.15 -4.97 118.70 120.49 2buw s GLU 175 Ca 0.44 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 54.42 2buw s GLU 175 Cb -0.27 0.28 0.14 0.00 0.10 0.00 0.00 34.13 34.38 2buw s GLU 175 CO 0.33 -0.20 0.25 -1.21 0.02 0.00 0.00 175.26 174.46 2buw s GLU 176 N -3.77 1.39 -0.98 1.61 2.02 -1.26 -0.37 118.70 117.34 2buw s GLU 176 Ca 0.05 -2.12 -0.23 0.00 0.02 0.00 0.00 54.97 52.68 2buw s GLU 176 Cb 0.06 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.84 2buw s GLU 176 CO -0.10 -1.17 1.66 1.03 0.02 0.00 0.00 175.26 176.70 2buw s ARG 177 N 0.21 3.19 -0.40 1.61 0.52 -0.34 -4.48 118.95 119.26 2buw s ARG 177 Ca 0.18 -0.83 -0.35 0.00 -0.52 0.00 0.00 55.73 54.21 2buw s ARG 177 Cb -0.23 -5.25 0.05 0.00 0.52 0.00 0.00 34.95 30.05 2buw s ARG 177 CO -0.01 -2.69 0.60 -0.25 0.02 0.00 0.00 175.30 172.97 2buw n ASP 178 N 10.91 -5.63 0.00 0.23 8.00 -1.26 -2.51 116.55 126.29 2buw n ASP 178 Ca 0.36 -0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2buw n ASP 178 Cb 0.49 -1.67 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 2buw n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buw n GLY 179 N -0.03 1.87 3.80 0.44 0.00 -1.26 -5.00 105.19 105.01 2buw n GLY 179 Ca -0.08 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 2buw n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buw s GLU 180 N 0.00 4.32 -0.14 1.61 2.02 -1.04 -5.06 118.70 120.41 2buw s GLU 180 Ca 0.00 0.89 -0.16 0.00 0.02 0.00 0.00 54.97 55.72 2buw s GLU 180 Cb 0.00 -3.14 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 2buw s GLU 180 CO 0.00 0.55 0.39 0.08 0.02 0.00 0.00 175.26 176.30 2buw s VAL 181 N -1.25 5.24 -0.02 2.63 1.01 -1.26 -1.20 120.40 125.55 2buw s VAL 181 Ca 0.35 0.76 0.04 0.00 0.00 0.00 0.00 61.98 63.14 2buw s VAL 181 Cb -0.20 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 2buw s VAL 181 CO 0.22 0.35 -0.14 -0.69 0.00 0.00 0.00 175.10 174.83 2buw s VAL 182 N 0.59 1.18 -0.17 2.92 1.01 0.51 -1.20 120.40 125.23 2buw s VAL 182 Ca 0.21 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2buw s VAL 182 Cb -0.14 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2buw s VAL 182 CO 0.07 0.34 -0.16 -0.31 0.00 0.00 0.00 175.10 175.05 2buw s TYR 183 N -0.13 2.80 -0.21 5.22 1.51 0.57 0.34 117.35 127.45 2buw s TYR 183 Ca 0.01 -1.21 -0.13 0.00 -1.01 0.00 0.00 57.07 54.73 2buw s TYR 183 Cb -0.08 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2buw s TYR 183 CO 0.00 -0.58 0.27 0.50 -1.11 0.00 0.00 175.55 174.63 2buw s ARG 184 N 1.03 4.16 -0.27 -0.62 6.06 -0.37 -1.77 118.95 127.16 2buw s ARG 184 Ca -0.01 -0.02 -0.03 0.00 -2.50 0.00 0.00 55.73 53.17 2buw s ARG 184 Cb -0.15 -3.51 0.09 0.00 0.06 0.00 0.00 34.95 31.45 2buw s ARG 184 CO -0.04 0.08 0.10 0.12 -2.50 0.00 0.00 175.30 173.06 2buw s PHE 185 N 0.97 0.98 0.02 5.12 5.36 0.30 -1.87 117.98 128.86 2buw s PHE 185 Ca 0.14 -1.16 -0.12 0.00 -0.96 0.00 0.00 56.93 54.83 2buw s PHE 185 Cb -0.14 -1.22 -0.05 0.00 -0.34 0.00 0.00 43.02 41.27 2buw s PHE 185 CO 0.05 -0.78 0.37 -0.51 -1.46 0.00 0.00 175.22 172.89 2buw s ASP 186 N 1.87 6.69 -0.15 6.13 1.01 -1.26 -4.17 116.67 126.79 2buw s ASP 186 Ca 0.07 0.83 -0.02 0.00 0.71 0.00 0.00 52.55 54.14 2buw s ASP 186 Cb -0.17 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2buw s ASP 186 CO -0.25 0.27 -0.08 -0.63 0.21 0.00 0.00 175.17 174.69 2buw s ILE 187 N -1.21 3.47 -0.29 0.77 1.01 -0.39 -4.97 121.20 119.59 2buw s ILE 187 Ca 0.26 -0.51 -0.00 0.00 0.00 0.00 0.00 60.65 60.40 2buw s ILE 187 Cb -0.15 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.88 2buw s ILE 187 CO 0.14 0.51 -0.02 -0.13 0.00 0.00 0.00 174.94 175.44 2buw s ARG 188 N 0.39 2.34 0.30 2.79 0.52 -1.26 -0.82 118.95 123.20 2buw s ARG 188 Ca -0.07 -1.32 0.04 0.00 -0.52 0.00 0.00 55.73 53.86 2buw s ARG 188 Cb -0.15 -3.12 0.46 0.00 0.52 0.00 0.00 34.95 32.67 2buw s ARG 188 CO 0.04 -0.63 1.74 0.82 0.02 0.00 0.00 175.30 177.29 2buw h ILE 189 N 6.55 1.27 -3.49 1.52 2.04 -1.63 0.15 117.51 123.92 2buw h ILE 189 Ca -0.20 -1.28 -0.11 0.00 1.00 0.00 0.00 64.86 64.27 2buw h ILE 189 Cb 1.05 1.42 -0.18 0.00 -0.74 0.00 0.00 36.82 38.38 2buw h ILE 189 CO 0.52 0.40 -0.38 -1.58 0.00 0.00 0.00 178.15 177.11 2buw s GLN 190 N -4.43 0.69 0.20 2.37 0.74 -1.26 -4.76 119.66 113.21 2buw s GLN 190 Ca -0.06 -0.57 0.00 0.00 0.05 0.00 0.00 55.36 54.78 2buw s GLN 190 Cb 0.14 0.29 0.00 0.00 1.10 0.00 0.00 33.01 34.54 2buw s GLN 190 CO 0.78 -0.20 0.00 0.41 -0.55 0.00 0.00 175.29 175.73 2buw n GLY 191 N 0.77 -0.05 3.77 2.59 0.00 -1.26 -4.55 105.19 106.45 2buw n GLY 191 Ca -0.19 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 2buw n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buw s GLU 192 N 0.00 4.35 -1.54 1.61 2.02 -1.26 -2.74 118.70 121.14 2buw s GLU 192 Ca 0.00 2.01 -0.03 0.00 0.02 0.00 0.00 54.97 56.97 2buw s GLU 192 Cb 0.00 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.24 2buw s GLU 192 CO 0.00 -0.12 0.36 0.09 0.02 0.00 0.00 175.26 175.61 2buw n ASN 193 N 0.72 -5.58 -4.71 -0.19 3.02 -1.26 -4.88 115.26 102.39 2buw n ASN 193 Ca 0.01 -0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 53.95 2buw n ASN 193 Cb 0.44 -4.57 -0.02 0.00 -0.61 0.00 0.00 39.78 35.01 2buw n ASN 193 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2buw n GLU 194 N -3.59 2.42 -2.16 3.52 2.13 -1.11 -4.66 120.64 117.19 2buw n GLU 194 Ca -0.14 0.86 -0.40 0.00 0.66 0.00 0.00 57.16 58.14 2buw n GLU 194 Cb 0.63 -2.61 -0.02 0.00 0.27 0.00 0.00 31.44 29.71 2buw n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buw s THR 195 N 0.23 2.82 0.20 6.31 2.01 0.54 -4.95 115.64 122.80 2buw s THR 195 Ca 0.69 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.18 2buw s THR 195 Cb -0.57 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 2buw s THR 195 CO 0.46 0.17 1.42 -0.69 -0.69 0.00 0.00 174.62 175.29 2buw s VAL 196 N -1.18 2.88 0.04 3.82 1.01 -1.26 -4.93 120.40 120.77 2buw s VAL 196 Ca 0.50 0.70 0.09 0.00 0.00 0.00 0.00 61.98 63.27 2buw s VAL 196 Cb -0.38 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2buw s VAL 196 CO 0.50 0.09 -0.26 -0.36 0.00 0.00 0.00 175.10 175.07 2buw s PHE 197 N 0.40 2.32 0.18 5.22 0.08 -1.26 -4.69 117.98 120.23 2buw s PHE 197 Ca 0.61 -0.42 0.06 0.00 0.12 0.00 0.00 56.93 57.31 2buw s PHE 197 Cb -0.40 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.60 2buw s PHE 197 CO 0.38 0.10 0.06 -0.06 -0.10 0.00 0.00 175.22 175.60 2buw s PHE 198 N -0.78 2.97 -0.37 0.36 0.08 -0.06 -4.99 117.98 115.19 2buw s PHE 198 Ca 0.11 -0.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.99 2buw s PHE 198 Cb -0.10 -1.42 0.05 0.00 -0.57 0.00 0.00 43.02 40.98 2buw s PHE 198 CO 0.02 0.52 0.17 0.34 -0.10 0.00 0.00 175.22 176.17 2buw s ASP 199 N -3.08 5.49 0.00 1.36 3.68 -1.26 -4.26 116.67 118.60 2buw s ASP 199 Ca 0.29 -1.27 0.24 0.00 2.13 0.00 0.00 52.55 53.95 2buw s ASP 199 Cb -0.09 -1.93 0.25 0.00 -1.45 0.00 0.00 42.92 39.70 2buw s ASP 199 CO 0.21 -0.41 1.29 2.30 0.13 0.00 0.00 175.17 178.69