#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buu s LEU 5 N 0.00 3.50 0.07 4.31 1.02 -1.26 -5.11 118.68 121.20 2buu s LEU 5 Ca 0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 54.13 53.65 2buu s LEU 5 Cb 0.00 -2.05 -0.06 0.00 0.02 0.00 0.00 46.19 44.10 2buu s LEU 5 CO 0.00 0.01 0.38 -0.54 0.02 0.00 0.00 176.35 176.22 2buu s LYS 6 N -3.54 3.72 0.43 1.70 1.02 -1.26 -5.05 119.74 116.75 2buu s LYS 6 Ca 0.31 0.12 -0.26 0.00 0.02 0.00 0.00 55.97 56.16 2buu s LYS 6 Cb -0.08 -3.01 -0.09 0.00 -0.52 0.00 0.00 37.83 34.13 2buu s LYS 6 CO 0.22 0.57 1.46 -2.00 -0.92 0.00 0.00 175.35 174.68 2buu s GLU 7 N -1.91 3.82 0.23 1.68 2.12 -1.26 -4.92 118.70 118.47 2buu s GLU 7 Ca 0.32 2.50 -0.32 0.00 0.36 0.00 0.00 54.97 57.84 2buu s GLU 7 Cb -0.14 -2.77 -0.13 0.00 0.26 0.00 0.00 34.13 31.36 2buu s GLU 7 CO 0.18 -0.74 1.57 2.41 -0.54 0.00 0.00 175.26 178.14 2buu n THR 8 N 0.03 0.53 -2.28 -1.70 -1.04 -1.26 -4.92 114.28 103.64 2buu n THR 8 Ca 0.04 -0.13 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 2buu n THR 8 Cb 0.41 -1.73 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 2buu n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2buu s PRO 9 N 0.22 3.95 0.55 -2.82 0.04 -1.26 -5.01 135.00 130.68 2buu s PRO 9 Ca 0.71 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 63.39 2buu s PRO 9 Cb -0.59 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 2buu s PRO 9 CO 0.43 -0.40 1.07 0.45 0.04 0.00 0.00 177.00 178.59 2buu s SER 10 N -1.21 5.89 0.03 6.66 0.15 -1.26 -5.07 113.70 118.89 2buu s SER 10 Ca 0.59 1.94 -0.01 0.00 0.70 0.00 0.00 55.95 59.17 2buu s SER 10 Cb -0.30 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.43 2buu s SER 10 CO 0.37 -1.10 -0.01 -1.10 1.20 0.00 0.00 173.24 172.61 2buu s GLN 11 N -3.64 0.45 0.66 5.44 -1.52 -1.20 -4.92 119.66 114.94 2buu s GLN 11 Ca 0.67 -0.84 -0.17 0.00 -1.95 0.00 0.00 55.36 53.07 2buu s GLN 11 Cb -0.18 0.16 -0.01 0.00 -0.22 0.00 0.00 33.01 32.76 2buu s GLN 11 CO 0.30 -0.08 1.13 -2.37 -0.25 0.00 0.00 175.29 174.01 2buu n THR 12 N 0.97 4.05 0.18 -0.19 5.66 -1.22 -4.77 114.28 118.97 2buu n THR 12 Ca -0.20 -0.46 0.05 0.00 -3.05 0.00 0.00 64.05 60.39 2buu n THR 12 Cb 0.58 -1.30 0.30 0.00 -1.55 0.00 0.00 70.33 68.36 2buu n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2buu h GLY 13 N 0.27 0.00 0.00 1.09 0.00 -1.74 -3.50 103.07 99.19 2buu h GLY 13 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 2buu h GLY 13 CO 0.51 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.66 2buu n GLY 14 N 0.32 -1.90 0.16 4.60 0.00 -1.26 -4.00 105.19 103.12 2buu n GLY 14 Ca -0.00 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.64 2buu n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2buu h PRO 15 N 0.00 0.00 -0.40 1.61 0.13 -1.91 -3.09 132.00 128.34 2buu h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2buu h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2buu h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 2buu n TYR 16 N -2.38 1.37 0.11 1.56 4.01 -1.26 -4.61 117.16 115.96 2buu n TYR 16 Ca 0.01 -0.80 0.20 0.00 -0.16 0.00 0.00 57.90 57.15 2buu n TYR 16 Cb 0.19 -0.37 0.71 0.00 -0.31 0.00 0.00 39.34 39.55 2buu n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 2buu h VAL 17 N 2.74 0.25 -0.34 -0.72 3.04 -1.67 -0.94 116.25 118.61 2buu h VAL 17 Ca 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.70 2buu h VAL 17 Cb 1.62 0.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.44 2buu h VAL 17 CO 0.31 0.00 0.23 0.45 -1.01 0.00 0.00 177.57 177.55 2buu h HIS 18 N 0.00 0.41 -0.24 3.17 3.86 -1.88 -1.38 115.15 119.08 2buu h HIS 18 Ca 0.18 0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.46 2buu h HIS 18 Cb 1.23 -0.14 -0.05 0.00 1.06 0.00 0.00 27.41 29.50 2buu h HIS 18 CO 0.00 0.25 -0.10 0.82 0.86 0.00 0.00 177.93 179.76 2buu h ILE 19 N 0.44 0.66 0.08 2.45 2.04 -1.42 0.21 117.51 121.97 2buu h ILE 19 Ca 0.13 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.71 2buu h ILE 19 Cb -0.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 2buu h ILE 19 CO -0.03 0.00 -1.40 1.23 0.00 0.00 0.00 178.15 177.95 2buu h GLY 20 N -0.06 0.20 0.00 5.37 0.00 -1.65 -3.33 103.07 103.60 2buu h GLY 20 Ca 0.13 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 2buu h GLY 20 CO -0.29 0.44 -1.87 1.04 0.00 0.00 0.00 176.54 175.87 2buu n LEU 21 N -3.40 0.00 -3.16 3.11 4.77 -0.56 -4.68 117.00 113.10 2buu n LEU 21 Ca -0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 2buu n LEU 21 Cb 1.02 0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 42.12 2buu n LEU 21 CO 0.50 0.04 -0.21 0.18 -1.33 0.00 0.00 177.39 176.57 2buu n LEU 22 N -2.18 0.41 -0.03 2.23 4.77 0.62 -4.88 117.00 117.95 2buu n LEU 22 Ca -0.06 -4.82 0.22 0.00 -0.03 0.00 0.00 56.01 51.33 2buu n LEU 22 Cb 0.53 0.71 0.71 0.00 -2.33 0.00 0.00 43.42 43.05 2buu n LEU 22 CO 0.38 2.22 1.20 1.55 -1.33 0.00 0.00 177.39 181.41 2buu h PRO 23 N 3.28 0.00 -0.11 3.23 0.13 -1.35 0.12 132.00 137.30 2buu h PRO 23 Ca 0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2buu h PRO 23 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.08 2buu h PRO 23 CO 0.47 0.00 -0.12 0.87 -0.23 0.00 0.00 178.00 178.99 2buu h LYS 24 N 0.00 0.17 0.00 0.86 1.57 -1.85 0.10 116.57 117.42 2buu h LYS 24 Ca 0.28 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.95 2buu h LYS 24 Cb 1.21 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 2buu h LYS 24 CO -0.00 0.30 -0.40 0.37 -0.57 0.00 0.00 179.45 179.14 2buu h GLN 25 N 0.16 0.00 -0.27 3.15 4.15 -1.07 -2.09 115.11 119.14 2buu h GLN 25 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2buu h GLN 25 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 2buu h GLN 25 CO 0.02 0.40 0.00 0.00 -1.93 0.00 0.00 178.83 177.32 2buu n ALA 26 N -2.31 2.48 -3.20 3.38 0.00 -0.19 -4.93 120.51 115.73 2buu n ALA 26 Ca -0.00 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 2buu n ALA 26 Cb 0.52 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 19.00 2buu n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2buu n ASN 27 N 0.59 -4.70 -4.11 0.00 3.02 -0.43 -5.02 115.26 104.62 2buu n ASN 27 Ca 0.16 -0.36 -0.33 0.00 -0.03 0.00 0.00 54.58 54.02 2buu n ASN 27 Cb 0.37 -3.49 -0.15 0.00 -0.61 0.00 0.00 39.78 35.90 2buu n ASN 27 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2buu s ILE 28 N -3.21 2.33 -0.56 2.41 1.01 0.17 -5.00 121.20 118.35 2buu s ILE 28 Ca 0.36 -1.42 -0.15 0.00 0.00 0.00 0.00 60.65 59.44 2buu s ILE 28 Cb -0.16 -2.28 0.14 0.00 0.01 0.00 0.00 42.46 40.17 2buu s ILE 28 CO 0.48 0.09 0.51 -1.61 0.00 0.00 0.00 174.94 174.40 2buu s GLU 29 N 1.18 2.99 0.00 2.79 2.02 -1.26 -3.82 118.70 122.59 2buu s GLU 29 Ca -0.05 -1.81 0.00 0.00 0.02 0.00 0.00 54.97 53.13 2buu s GLU 29 Cb -0.18 -4.26 0.00 0.00 0.10 0.00 0.00 34.13 29.79 2buu s GLU 29 CO -0.06 -1.31 0.00 1.55 0.02 0.00 0.00 175.26 175.46 2buu n VAL 30 N 5.05 0.00 -4.15 2.63 3.14 -1.26 -5.07 118.33 118.67 2buu n VAL 30 Ca -0.10 0.00 -0.31 0.00 -2.96 0.00 0.00 64.34 60.97 2buu n VAL 30 Cb 0.41 -0.10 -0.08 0.00 -1.06 0.00 0.00 33.84 33.01 2buu n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2buu s PHE 31 N -1.40 3.06 -0.03 1.45 0.08 -1.26 -5.02 117.98 114.85 2buu s PHE 31 Ca 0.00 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.85 2buu s PHE 31 Cb 0.00 -1.59 -0.27 0.00 -0.57 0.00 0.00 43.02 40.59 2buu s PHE 31 CO 0.00 0.48 0.98 1.49 -0.10 0.00 0.00 175.22 178.07 2buu h GLU 32 N 3.63 0.31 -5.07 0.44 4.81 -2.02 -3.43 114.58 113.25 2buu h GLU 32 Ca -0.48 -0.42 -0.64 0.00 -0.13 0.00 0.00 59.36 57.70 2buu h GLU 32 Cb 1.17 0.14 -0.20 0.00 0.63 0.00 0.00 28.75 30.49 2buu h GLU 32 CO 0.61 1.14 -0.60 -1.01 -0.73 0.00 0.00 179.01 178.42 2buu s HIS 33 N -2.78 3.14 -0.09 0.92 3.76 -1.26 -5.08 115.29 113.90 2buu s HIS 33 Ca -0.14 -0.22 0.04 0.00 -0.15 0.00 0.00 55.06 54.59 2buu s HIS 33 Cb 0.02 -2.18 -0.01 0.00 1.11 0.00 0.00 32.58 31.52 2buu s HIS 33 CO 0.81 -0.17 -0.22 -0.80 -0.85 0.00 0.00 174.74 173.52 2buu s ASN 34 N 1.17 3.30 0.27 1.40 0.01 -1.26 -5.10 114.94 114.73 2buu s ASN 34 Ca 0.05 -0.49 -0.29 0.00 -0.71 0.00 0.00 52.86 51.41 2buu s ASN 34 Cb -0.14 -1.29 -0.09 0.00 0.41 0.00 0.00 41.25 40.13 2buu s ASN 34 CO 0.03 0.19 1.22 -0.76 -1.51 0.00 0.00 177.10 176.27 2buu s LEU 35 N 0.18 4.47 0.00 0.60 1.43 -1.26 -5.00 118.68 119.11 2buu s LEU 35 Ca -0.13 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2buu s LEU 35 Cb -0.16 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2buu s LEU 35 CO 0.07 -0.38 0.00 -0.90 0.23 0.00 0.00 176.35 175.37 2buu n ASP 36 N 1.47 0.00 -1.65 2.29 5.68 -1.26 -4.88 116.55 118.20 2buu n ASP 36 Ca 0.01 -0.33 0.08 0.00 -0.50 0.00 0.00 54.79 54.05 2buu n ASP 36 Cb 0.43 0.00 0.37 0.00 -1.14 0.00 0.00 41.12 40.78 2buu n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2buu n ASN 37 N -0.85 5.08 -4.19 -1.12 6.94 -1.00 -1.14 115.26 118.99 2buu n ASN 37 Ca 0.00 -2.68 -0.37 0.00 -0.02 0.00 0.00 54.58 51.51 2buu n ASN 37 Cb 0.00 -0.61 -0.12 0.00 -2.36 0.00 0.00 39.78 36.69 2buu n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2buu s ASN 38 N -0.94 5.28 0.00 0.53 3.04 -1.26 -1.80 114.94 119.79 2buu s ASN 38 Ca 0.52 -1.63 0.23 0.00 0.04 0.00 0.00 52.86 52.01 2buu s ASN 38 Cb 0.36 -1.85 0.66 0.00 -1.54 0.00 0.00 41.25 38.88 2buu s ASN 38 CO 0.20 -0.46 1.51 0.18 -3.04 0.00 0.00 177.10 175.50 2buu n LEU 39 N 4.71 2.22 -4.53 3.21 4.32 0.07 -4.85 117.00 122.14 2buu n LEU 39 Ca -0.08 -0.88 -0.38 0.00 -0.02 0.00 0.00 56.01 54.65 2buu n LEU 39 Cb 0.43 -0.11 -0.11 0.00 -1.62 0.00 0.00 43.42 42.01 2buu n LEU 39 CO 0.33 0.44 -0.18 -0.69 -1.22 0.00 0.00 177.39 176.07 2buu s VAL 40 N -1.79 5.06 0.35 4.08 1.01 -1.25 -4.67 120.40 123.19 2buu s VAL 40 Ca 0.34 -0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.31 2buu s VAL 40 Cb 0.20 -3.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 2buu s VAL 40 CO 0.29 0.17 0.51 -1.10 0.00 0.00 0.00 175.10 174.97 2buu s GLN 41 N 1.71 3.15 0.23 2.72 -0.21 -1.26 -4.99 119.66 121.00 2buu s GLN 41 Ca 0.06 -0.85 -0.08 0.00 0.02 0.00 0.00 55.36 54.51 2buu s GLN 41 Cb -0.16 -2.76 0.38 0.00 1.00 0.00 0.00 33.01 31.47 2buu s GLN 41 CO 0.09 0.02 1.67 -0.44 -2.12 0.00 0.00 175.29 174.51 2buu h ASP 42 N 0.80 -0.17 -0.48 5.90 3.32 -1.97 -1.23 116.42 122.59 2buu h ASP 42 Ca -0.47 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.74 2buu h ASP 42 Cb 1.25 0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.05 2buu h ASP 42 CO 0.55 -0.09 0.00 0.59 -1.72 0.00 0.00 179.24 178.56 2buu n ASN 43 N -5.24 3.64 -4.75 6.45 4.13 -1.26 -4.96 115.26 113.27 2buu n ASN 43 Ca 0.12 -2.32 -0.41 0.00 1.68 0.00 0.00 54.58 53.64 2buu n ASN 43 Cb 0.42 -0.49 -0.02 0.00 -1.54 0.00 0.00 39.78 38.14 2buu n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2buu s THR 44 N -1.76 2.75 0.32 3.41 2.01 -0.47 -4.86 115.64 117.05 2buu s THR 44 Ca 0.38 0.66 -0.13 0.00 0.31 0.00 0.00 61.69 62.91 2buu s THR 44 Cb 0.24 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.25 2buu s THR 44 CO 0.18 0.12 0.70 -1.10 -0.69 0.00 0.00 174.62 173.83 2buu s GLN 45 N -0.72 3.91 0.00 4.92 -0.21 -1.26 -4.92 119.66 121.38 2buu s GLN 45 Ca 0.56 0.53 0.00 0.00 0.02 0.00 0.00 55.36 56.47 2buu s GLN 45 Cb -0.40 -2.48 0.00 0.00 1.00 0.00 0.00 33.01 31.13 2buu s GLN 45 CO 0.45 0.16 0.00 0.41 -2.12 0.00 0.00 175.29 174.19 2buu n GLY 46 N -0.50 2.22 3.71 3.09 0.00 -1.26 -4.52 105.19 107.93 2buu n GLY 46 Ca 0.03 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2buu n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buu s GLN 47 N -1.98 4.46 0.26 1.61 -2.07 -1.26 -4.94 119.66 115.74 2buu s GLN 47 Ca 0.00 1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 54.33 2buu s GLN 47 Cb 0.00 -3.47 -0.09 0.00 -1.09 0.00 0.00 33.01 28.36 2buu s GLN 47 CO 0.00 -0.03 1.20 1.03 -1.32 0.00 0.00 175.29 176.17 2buu s ARG 48 N 1.05 4.50 0.12 9.60 3.00 -1.26 -1.44 118.95 134.53 2buu s ARG 48 Ca 0.43 1.96 -0.05 0.00 0.00 0.00 0.00 55.73 58.06 2buu s ARG 48 Cb -0.19 -3.17 -0.02 0.00 0.00 0.00 0.00 34.95 31.57 2buu s ARG 48 CO 0.21 -0.01 0.15 0.96 0.00 0.00 0.00 175.30 176.60 2buu s ILE 49 N -0.78 0.12 -0.06 1.52 -4.36 -0.05 -4.53 121.20 113.05 2buu s ILE 49 Ca 0.49 -1.57 0.04 0.00 -0.26 0.00 0.00 60.65 59.35 2buu s ILE 49 Cb -0.35 -1.76 -0.02 0.00 1.25 0.00 0.00 42.46 41.59 2buu s ILE 49 CO 0.43 -0.52 -0.19 -0.60 0.24 0.00 0.00 174.94 174.29 2buu s ARG 50 N -3.96 2.64 -0.15 0.37 3.52 -0.15 -1.61 118.95 119.60 2buu s ARG 50 Ca 0.15 -0.80 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 2buu s ARG 50 Cb 0.06 -2.31 -0.01 0.00 -1.56 0.00 0.00 34.95 31.13 2buu s ARG 50 CO -0.03 0.45 -0.11 -1.17 -0.81 0.00 0.00 175.30 173.63 2buu s LEU 51 N -0.31 2.75 0.11 -0.88 2.96 -0.23 -0.64 118.68 122.45 2buu s LEU 51 Ca 0.01 -0.35 -0.10 0.00 -0.22 0.00 0.00 54.13 53.47 2buu s LEU 51 Cb -0.13 -1.64 0.00 0.00 0.50 0.00 0.00 46.19 44.93 2buu s LEU 51 CO 0.02 0.12 0.26 -1.83 -1.32 0.00 0.00 176.35 173.60 2buu s GLU 52 N 0.64 0.97 0.00 1.98 -1.05 -0.47 -0.55 118.70 120.22 2buu s GLU 52 Ca -0.06 -0.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.80 2buu s GLU 52 Cb -0.15 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2buu s GLU 52 CO 0.03 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2buu n GLY 53 N -0.13 -0.70 3.22 -3.83 0.00 -0.95 -0.37 105.19 102.43 2buu n GLY 53 Ca -0.13 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2buu n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buu s GLN 54 N -0.87 1.17 -0.10 1.61 -0.21 -1.26 -1.76 119.66 118.24 2buu s GLN 54 Ca 0.00 -1.60 0.04 0.00 0.02 0.00 0.00 55.36 53.81 2buu s GLN 54 Cb 0.00 0.06 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2buu s GLN 54 CO 0.00 -0.30 -0.24 0.08 -2.12 0.00 0.00 175.29 172.71 2buu s VAL 55 N -3.97 2.05 0.05 1.09 1.01 -1.26 -1.44 120.40 117.93 2buu s VAL 55 Ca 0.33 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.36 2buu s VAL 55 Cb 0.07 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2buu s VAL 55 CO 0.09 0.56 -0.10 -0.36 0.00 0.00 0.00 175.10 175.29 2buu s PHE 56 N 0.39 2.78 0.34 5.22 0.08 0.60 -0.55 117.98 126.84 2buu s PHE 56 Ca -0.18 -0.12 -0.01 0.00 0.12 0.00 0.00 56.93 56.74 2buu s PHE 56 Cb -0.18 -1.52 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 2buu s PHE 56 CO 0.08 0.37 0.47 -0.40 -0.10 0.00 0.00 175.22 175.64 2buu n ASP 57 N 1.25 0.52 0.18 1.36 5.68 0.20 -1.38 116.55 124.35 2buu n ASP 57 Ca -0.15 -1.46 0.13 0.00 -0.50 0.00 0.00 54.79 52.81 2buu n ASP 57 Cb 0.52 -0.31 0.62 0.00 -1.14 0.00 0.00 41.12 40.81 2buu n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2buu h GLY 58 N -0.35 0.00 -1.25 6.12 0.00 -1.89 -0.83 103.07 104.88 2buu h GLY 58 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2buu h GLY 58 CO 0.15 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.73 2buu n LEU 59 N -2.40 2.29 0.00 3.11 4.77 -1.26 -4.87 117.00 118.64 2buu n LEU 59 Ca -0.00 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.16 2buu n LEU 59 Cb 0.14 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2buu n LEU 59 CO 0.16 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 2buu n GLY 60 N 1.27 0.49 3.84 -0.72 0.00 -0.32 -5.05 105.19 104.70 2buu n GLY 60 Ca 0.17 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 2buu n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buu s LEU 61 N 0.00 4.14 0.47 0.99 1.43 -1.26 -4.80 118.68 119.66 2buu s LEU 61 Ca 0.00 0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 53.16 2buu s LEU 61 Cb 0.00 -2.31 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 2buu s LEU 61 CO 0.00 0.31 1.13 -2.16 0.23 0.00 0.00 176.35 175.86 2buu s PRO 62 N -1.59 3.72 -0.18 1.29 0.04 -1.26 -0.63 135.00 136.40 2buu s PRO 62 Ca 0.22 1.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.67 2buu s PRO 62 Cb -0.12 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.10 2buu s PRO 62 CO 0.13 -0.56 0.85 -0.51 0.04 0.00 0.00 177.00 176.95 2buu s LEU 63 N -3.20 4.16 -0.13 -3.56 1.02 0.28 -4.84 118.68 112.41 2buu s LEU 63 Ca 0.65 1.19 0.17 0.00 0.02 0.00 0.00 54.13 56.17 2buu s LEU 63 Cb -0.25 -3.27 0.72 0.00 0.02 0.00 0.00 46.19 43.41 2buu s LEU 63 CO 0.31 -0.43 1.63 0.54 0.02 0.00 0.00 176.35 178.42 2buu n ARG 64 N 5.37 3.87 -0.35 1.70 1.74 -1.26 -4.18 116.66 123.54 2buu n ARG 64 Ca 0.05 -2.91 0.02 0.00 -0.77 0.00 0.00 57.85 54.24 2buu n ARG 64 Cb 0.48 -1.93 0.03 0.00 -1.02 0.00 0.00 32.46 30.02 2buu n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2buu n ASP 65 N 0.95 0.57 -4.80 0.55 5.68 -1.26 -4.28 116.55 113.95 2buu n ASP 65 Ca 0.26 -2.16 -0.35 0.00 -0.50 0.00 0.00 54.79 52.03 2buu n ASP 65 Cb 0.93 -0.23 -0.07 0.00 -1.14 0.00 0.00 41.12 40.61 2buu n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2buu s VAL 66 N -0.66 4.35 -0.08 2.12 0.11 -1.26 -4.68 120.40 120.31 2buu s VAL 66 Ca 0.07 1.57 0.04 0.00 -2.93 0.00 0.00 61.98 60.74 2buu s VAL 66 Cb 0.06 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2buu s VAL 66 CO 0.01 -0.06 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.28 2buu s LEU 67 N -2.56 2.22 0.01 2.54 0.20 -0.03 -1.71 118.68 119.36 2buu s LEU 67 Ca 0.54 -0.47 0.07 0.00 0.69 0.00 0.00 54.13 54.96 2buu s LEU 67 Cb -0.14 -1.43 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2buu s LEU 67 CO 0.19 0.22 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.63 2buu s ILE 68 N 0.02 1.66 0.10 6.68 -1.09 0.00 -1.03 121.20 127.54 2buu s ILE 68 Ca -0.08 -1.02 0.07 0.00 -2.23 0.00 0.00 60.65 57.38 2buu s ILE 68 Cb -0.15 -1.41 -0.03 0.00 -1.58 0.00 0.00 42.46 39.29 2buu s ILE 68 CO 0.05 0.36 -0.17 -1.61 -1.23 0.00 0.00 174.94 172.34 2buu s GLU 69 N -0.78 0.99 0.11 2.79 2.02 -0.51 -0.70 118.70 122.62 2buu s GLU 69 Ca 0.08 -1.10 0.06 0.00 0.02 0.00 0.00 54.97 54.03 2buu s GLU 69 Cb -0.08 -1.08 -0.03 0.00 0.10 0.00 0.00 34.13 33.03 2buu s GLU 69 CO 0.00 0.24 -0.16 0.96 0.02 0.00 0.00 175.26 176.32 2buu s ILE 70 N -1.41 1.38 -0.02 -1.63 -4.36 -0.94 -1.38 121.20 112.83 2buu s ILE 70 Ca 0.04 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 58.85 2buu s ILE 70 Cb -0.09 -1.43 0.03 0.00 1.25 0.00 0.00 42.46 42.22 2buu s ILE 70 CO 0.03 -0.29 0.02 0.86 0.24 0.00 0.00 174.94 175.81 2buu s TRP 71 N -1.70 0.08 0.22 1.37 -0.00 -0.03 -2.63 118.94 116.25 2buu s TRP 71 Ca 0.06 0.10 -0.19 0.00 -0.00 0.00 0.00 56.10 56.07 2buu s TRP 71 Cb -0.07 -0.25 0.03 0.00 -0.00 0.00 0.00 33.47 33.17 2buu s TRP 71 CO 0.03 -0.09 0.59 1.14 -0.00 0.00 0.00 176.95 178.62 2buu s GLN 72 N 0.99 1.50 0.60 5.86 -2.07 -0.27 -1.03 119.66 125.25 2buu s GLN 72 Ca -0.09 -0.89 -0.04 0.00 -1.82 0.00 0.00 55.36 52.53 2buu s GLN 72 Cb -0.12 0.55 0.03 0.00 -1.09 0.00 0.00 33.01 32.38 2buu s GLN 72 CO -0.03 -0.66 0.88 0.00 -1.32 0.00 0.00 175.29 174.17 2buu s ALA 73 N -3.89 3.46 1.01 2.60 0.00 -1.26 -4.61 121.76 119.07 2buu s ALA 73 Ca 0.10 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 2buu s ALA 73 Cb -0.02 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.72 2buu s ALA 73 CO -0.00 -0.90 0.19 -0.40 0.00 0.00 0.00 175.76 174.65 2buu n ASP 74 N -2.57 -0.33 0.29 0.00 5.68 0.00 -4.46 116.55 115.16 2buu n ASP 74 Ca 0.06 -0.94 0.15 0.00 -0.50 0.00 0.00 54.79 53.57 2buu n ASP 74 Cb 0.59 -0.16 0.86 0.00 -1.14 0.00 0.00 41.12 41.28 2buu n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2buu h THR 75 N -1.28 0.45 -0.68 2.12 1.03 -1.80 -0.84 112.91 111.91 2buu h THR 75 Ca -0.07 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.07 2buu h THR 75 Cb 0.18 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 68.44 2buu h THR 75 CO 0.04 0.05 0.00 0.59 -0.01 0.00 0.00 175.52 176.20 2buu n ASN 76 N -3.62 4.37 -1.18 0.00 3.02 -1.26 -3.02 115.26 113.57 2buu n ASN 76 Ca -0.02 -2.25 -0.09 0.00 -0.03 0.00 0.00 54.58 52.19 2buu n ASN 76 Cb 0.16 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.80 2buu n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buu n GLY 77 N 1.36 0.12 3.39 7.41 0.00 -0.50 -4.73 105.19 112.25 2buu n GLY 77 Ca 0.25 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2buu n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buu s VAL 78 N -2.62 2.91 0.10 1.61 1.01 -1.26 -4.55 120.40 117.60 2buu s VAL 78 Ca 0.07 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2buu s VAL 78 Cb -0.03 -2.17 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 2buu s VAL 78 CO 0.08 0.56 0.69 -0.31 0.00 0.00 0.00 175.10 176.12 2buu s TYR 79 N -0.10 3.83 -1.44 5.22 2.02 -1.26 -0.82 117.35 124.80 2buu s TYR 79 Ca -0.02 1.45 -0.12 0.00 -0.37 0.00 0.00 57.07 58.01 2buu s TYR 79 Cb -0.14 -2.67 0.05 0.00 -0.40 0.00 0.00 41.96 38.80 2buu s TYR 79 CO 0.04 0.49 2.29 -0.35 -1.57 0.00 0.00 175.55 176.44 2buu n PRO 80 N 1.93 3.31 -3.80 -1.71 -0.04 -1.26 -4.74 135.00 128.69 2buu n PRO 80 Ca -0.07 -2.81 -0.13 0.00 -0.04 0.00 0.00 63.50 60.46 2buu n PRO 80 Cb 0.50 -3.07 -0.12 0.00 -0.04 0.00 0.00 33.50 30.77 2buu n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2buu s SER 81 N 2.26 -0.22 0.57 3.54 0.15 -1.26 -4.95 113.70 113.78 2buu s SER 81 Ca 0.50 0.41 0.38 0.00 0.70 0.00 0.00 55.95 57.94 2buu s SER 81 Cb 0.14 0.44 1.90 0.00 -1.71 0.00 0.00 66.02 66.79 2buu s SER 81 CO -0.06 -0.10 2.14 1.56 1.20 0.00 0.00 173.24 177.98 2buu h GLN 82 N 5.70 0.00 -0.00 5.44 4.20 -2.05 -1.15 115.11 127.24 2buu h GLN 82 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2buu h GLN 82 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2buu h GLN 82 CO 0.37 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.50 2buu n ALA 83 N -2.03 2.52 -2.52 3.87 0.00 -1.26 -4.76 120.51 116.33 2buu n ALA 83 Ca -0.01 -0.15 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 2buu n ALA 83 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.11 2buu n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2buu s ASP 84 N -2.69 7.11 -0.08 0.00 -1.08 -0.44 -4.92 116.67 114.57 2buu s ASP 84 Ca 0.24 1.76 0.17 0.00 -0.52 0.00 0.00 52.55 54.20 2buu s ASP 84 Cb 0.20 -2.56 0.58 0.00 -1.46 0.00 0.00 42.92 39.67 2buu s ASP 84 CO 0.49 -0.53 1.49 0.35 0.52 0.00 0.00 175.17 177.49 2buu n THR 85 N 4.52 1.57 0.27 1.71 -2.24 -1.26 -4.58 114.28 114.27 2buu n THR 85 Ca 0.10 -1.22 0.16 0.00 -2.27 0.00 0.00 64.05 60.82 2buu n THR 85 Cb 0.47 0.22 0.71 0.00 -2.10 0.00 0.00 70.33 69.64 2buu n THR 85 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2buu h GLN 86 N 3.24 0.00 -0.34 -0.78 4.20 -1.99 -3.46 115.11 115.98 2buu h GLN 86 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2buu h GLN 86 Cb 1.20 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.94 2buu h GLN 86 CO 0.14 0.05 -0.11 0.41 -0.67 0.00 0.00 178.83 178.65 2buu n GLY 87 N -0.15 0.75 3.71 3.46 0.00 -1.26 -5.01 105.19 106.68 2buu n GLY 87 Ca -0.00 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 45.02 2buu n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buu s LYS 88 N -2.71 2.48 -0.05 1.61 1.02 -1.26 -5.09 119.74 115.74 2buu s LYS 88 Ca 0.00 -1.33 -0.22 0.00 0.02 0.00 0.00 55.97 54.43 2buu s LYS 88 Cb 0.00 -2.28 -0.04 0.00 -0.52 0.00 0.00 37.83 34.99 2buu s LYS 88 CO 0.00 0.34 0.65 -1.14 -0.92 0.00 0.00 175.35 174.28 2buu s GLN 88 N -3.75 4.41 0.43 1.68 0.74 -1.26 -5.05 119.66 116.86 2buu s GLN 88 Ca 0.33 0.81 -0.09 0.00 0.05 0.00 0.00 55.36 56.45 2buu s GLN 88 Cb -0.06 -3.42 -0.06 0.00 1.10 0.00 0.00 33.01 30.57 2buu s GLN 88 CO 0.22 0.16 0.79 0.54 -0.55 0.00 0.00 175.29 176.44 2buu s VAL 88 N 0.50 4.81 0.01 1.34 0.11 -1.26 -4.98 120.40 120.93 2buu s VAL 88 Ca 0.35 0.53 -0.34 0.00 -2.93 0.00 0.00 61.98 59.59 2buu s VAL 88 Cb -0.18 -3.77 -0.12 0.00 -1.53 0.00 0.00 36.38 30.78 2buu s VAL 88 CO 0.17 -0.63 1.79 -0.67 -3.33 0.00 0.00 175.10 172.44 2buu n ASP 88 N -1.60 3.45 0.00 3.54 -0.08 -1.26 -4.86 116.55 115.74 2buu n ASP 88 Ca 0.02 1.00 0.11 0.00 -1.51 0.00 0.00 54.79 54.41 2buu n ASP 88 Cb 0.54 -1.42 0.49 0.00 2.34 0.00 0.00 41.12 43.08 2buu n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2buu n PRO 88 N 5.65 0.07 -2.70 -0.67 -0.04 -1.26 -3.71 135.00 132.34 2buu n PRO 88 Ca 0.20 0.11 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 2buu n PRO 88 Cb 0.31 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 2buu n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buu n ASN 88 N -1.46 4.96 -3.43 3.54 3.02 -1.26 -4.95 115.26 115.68 2buu n ASN 88 Ca 0.06 -3.71 -0.02 0.00 -0.03 0.00 0.00 54.58 50.88 2buu n ASN 88 Cb 0.24 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.76 2buu n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2buu s PHE 89 N -3.60 -1.23 0.13 3.10 5.36 -1.24 -4.30 117.98 116.20 2buu s PHE 89 Ca 0.48 1.69 0.04 0.00 -0.96 0.00 0.00 56.93 58.17 2buu s PHE 89 Cb 0.32 0.48 -0.13 0.00 -0.34 0.00 0.00 43.02 43.35 2buu s PHE 89 CO -0.17 -0.71 1.30 1.25 -1.46 0.00 0.00 175.22 175.42 2buu h LEU 90 N 8.07 0.16 0.00 6.12 5.85 -1.91 -3.44 115.31 130.15 2buu h LEU 90 Ca -0.20 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2buu h LEU 90 Cb 1.13 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2buu h LEU 90 CO 0.19 1.05 0.00 0.61 -0.34 0.00 0.00 178.44 179.95 2buu n GLY 91 N 1.18 1.79 3.16 3.75 0.00 -1.26 -4.75 105.19 109.07 2buu n GLY 91 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.84 2buu n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2buu s TRP 92 N -3.07 1.04 0.22 1.61 -0.00 -1.26 -1.11 118.94 116.37 2buu s TRP 92 Ca 0.00 -0.61 -0.17 0.00 -0.00 0.00 0.00 56.10 55.32 2buu s TRP 92 Cb 0.00 -0.58 0.02 0.00 -0.00 0.00 0.00 33.47 32.91 2buu s TRP 92 CO 0.00 -0.00 0.56 0.20 -0.00 0.00 0.00 176.95 177.71 2buu s GLY 93 N -2.23 0.02 -0.02 5.86 0.00 -1.08 -4.80 107.32 105.07 2buu s GLY 93 Ca 0.02 -0.36 -0.03 0.00 0.00 0.00 0.00 44.72 44.35 2buu s GLY 93 CO 0.00 -0.28 0.08 -1.60 0.00 0.00 0.00 173.10 171.30 2buu s ARG 94 N -3.91 0.15 0.23 2.90 3.52 -0.29 -2.22 118.95 119.32 2buu s ARG 94 Ca 0.12 0.00 -0.09 0.00 -0.13 0.00 0.00 55.73 55.64 2buu s ARG 94 Cb -0.02 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.42 2buu s ARG 94 CO 0.02 -0.02 0.35 -0.08 -0.81 0.00 0.00 175.30 174.75 2buu s THR 95 N -0.23 0.00 0.10 4.11 -1.32 0.13 -2.37 115.64 116.06 2buu s THR 95 Ca -0.03 -1.61 0.08 0.00 -1.21 0.00 0.00 61.69 58.92 2buu s THR 95 Cb -0.02 -2.29 -0.03 0.00 -1.51 0.00 0.00 72.50 68.65 2buu s THR 95 CO 0.00 -0.01 -0.20 -0.83 -2.21 0.00 0.00 174.62 171.37 2buu s GLY 96 N -3.06 1.17 0.55 6.08 0.00 -1.26 -0.82 107.32 109.98 2buu s GLY 96 Ca 0.28 -1.20 -0.20 0.00 0.00 0.00 0.00 44.72 43.60 2buu s GLY 96 CO 0.10 -1.21 1.18 0.00 0.00 0.00 0.00 173.10 173.16 2buu s ALA 97 N -1.18 2.68 0.26 3.20 0.00 -0.69 -4.71 121.76 121.32 2buu s ALA 97 Ca 0.05 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 2buu s ALA 97 Cb -0.10 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.50 2buu s ALA 97 CO 0.04 -0.93 1.51 0.34 0.00 0.00 0.00 175.76 176.72 2buu s ASP 98 N -1.60 6.53 0.57 0.00 2.15 -0.51 -4.78 116.67 119.03 2buu s ASP 98 Ca 0.73 2.79 0.31 0.00 0.43 0.00 0.00 52.55 56.81 2buu s ASP 98 Cb -0.28 -2.63 1.73 0.00 -0.30 0.00 0.00 42.92 41.44 2buu s ASP 98 CO 0.31 -0.80 2.18 -0.26 -0.17 0.00 0.00 175.17 176.44 2buu h PHE 99 N 5.03 0.00 0.06 -5.34 0.04 -1.93 0.04 116.94 114.85 2buu h PHE 99 Ca -0.46 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 59.94 2buu h PHE 99 Cb 1.22 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 39.33 2buu h PHE 99 CO 0.60 0.05 -2.09 0.41 -0.60 0.00 0.00 178.31 176.67 2buu n GLY 100 N -0.97 -0.52 0.05 -1.45 0.00 -1.26 -4.70 105.19 96.33 2buu n GLY 100 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 46.02 45.82 2buu n GLY 100 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2buu n THR 101 N -3.60 0.58 -0.66 2.61 -2.24 -1.20 -4.99 114.28 104.78 2buu n THR 101 Ca -0.38 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.80 2buu n THR 101 Cb 0.97 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 2buu n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2buu n GLY 102 N 1.62 0.79 3.76 3.38 0.00 -0.00 -4.93 105.19 109.82 2buu n GLY 102 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2buu n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2buu s PHE 103 N -3.01 3.62 0.15 1.61 0.40 -1.26 -4.44 117.98 115.05 2buu s PHE 103 Ca 0.00 1.75 0.05 0.00 -0.60 0.00 0.00 56.93 58.13 2buu s PHE 103 Cb 0.00 -3.14 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 2buu s PHE 103 CO 0.00 -0.25 -0.12 1.67 0.70 0.00 0.00 175.22 177.23 2buu s TRP 104 N -1.32 1.37 0.19 0.36 1.48 -0.72 -1.42 118.94 118.87 2buu s TRP 104 Ca 0.47 -0.69 -0.21 0.00 -1.06 0.00 0.00 56.10 54.62 2buu s TRP 104 Cb -0.27 -0.68 0.05 0.00 -1.16 0.00 0.00 33.47 31.41 2buu s TRP 104 CO 0.34 0.15 0.58 -1.54 -4.06 0.00 0.00 176.95 172.42 2buu s SER 105 N -3.08 -0.41 0.03 -2.66 1.04 -1.26 -2.25 113.70 105.11 2buu s SER 105 Ca 0.16 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2buu s SER 105 Cb 0.01 0.61 -0.02 0.00 0.10 0.00 0.00 66.02 66.71 2buu s SER 105 CO 0.02 -1.04 -0.04 -0.36 0.98 0.00 0.00 173.24 172.80 2buu s PHE 106 N -3.81 0.39 -0.26 5.02 0.08 0.29 -4.86 117.98 114.83 2buu s PHE 106 Ca 0.05 -0.60 -0.06 0.00 0.12 0.00 0.00 56.93 56.45 2buu s PHE 106 Cb -0.02 -0.27 0.00 0.00 -0.57 0.00 0.00 43.02 42.17 2buu s PHE 106 CO -0.07 -0.19 0.03 -0.80 -0.10 0.00 0.00 175.22 174.09 2buu s ASN 107 N -1.70 4.83 0.00 1.36 0.01 -0.75 -1.07 114.94 117.62 2buu s ASN 107 Ca -0.11 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 51.46 2buu s ASN 107 Cb -0.07 -1.83 0.00 0.00 0.41 0.00 0.00 41.25 39.76 2buu s ASN 107 CO -0.02 -0.12 0.00 1.07 -1.51 0.00 0.00 177.10 176.52 2buu n THR 108 N 4.83 0.00 -4.28 1.60 5.66 -0.64 -0.75 114.28 120.71 2buu n THR 108 Ca -0.16 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.68 2buu n THR 108 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 2buu n THR 108 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2buu s ILE 109 N -1.53 1.38 -0.12 1.09 -4.36 -1.26 -0.87 121.20 115.54 2buu s ILE 109 Ca 0.00 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.08 2buu s ILE 109 Cb 0.00 -1.82 -0.03 0.00 1.25 0.00 0.00 42.46 41.86 2buu s ILE 109 CO 0.00 -0.61 1.30 -0.75 0.24 0.00 0.00 174.94 175.12 2buu s LYS 110 N -3.43 4.26 0.60 0.37 2.20 -0.52 -4.85 119.74 118.37 2buu s LYS 110 Ca 0.16 1.74 -0.16 0.00 -0.36 0.00 0.00 55.97 57.35 2buu s LYS 110 Cb -0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 2buu s LYS 110 CO 0.03 -0.65 1.08 -1.25 -0.36 0.00 0.00 175.35 174.19 2buu s PRO 111 N 3.17 3.22 0.67 4.03 0.04 -1.26 -4.54 135.00 140.32 2buu s PRO 111 Ca 0.58 1.30 -0.09 0.00 0.04 0.00 0.00 61.00 62.83 2buu s PRO 111 Cb -0.24 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.30 2buu s PRO 111 CO 0.19 -0.90 1.02 0.20 0.04 0.00 0.00 177.00 177.54 2buu s GLY 112 N -2.59 1.62 0.32 0.56 0.00 -0.44 -4.72 107.32 102.07 2buu s GLY 112 Ca 0.65 -0.56 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 2buu s GLY 112 CO 0.36 -0.21 1.30 0.00 0.00 0.00 0.00 173.10 174.55 2buu s ALA 113 N -3.22 3.50 -0.01 3.20 0.00 -1.26 -3.96 121.76 120.00 2buu s ALA 113 Ca 0.57 1.25 0.04 0.00 0.00 0.00 0.00 51.96 53.82 2buu s ALA 113 Cb -0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 2buu s ALA 113 CO 0.48 -0.62 -0.14 0.08 0.00 0.00 0.00 175.76 175.57 2buu s VAL 114 N -1.09 3.13 0.47 0.00 1.01 -1.25 -4.24 120.40 118.43 2buu s VAL 114 Ca 0.49 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 61.38 2buu s VAL 114 Cb -0.39 -2.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 2buu s VAL 114 CO 0.52 0.48 1.32 -2.65 0.00 0.00 0.00 175.10 174.77 2buu n PRO 115 N 1.95 1.91 -1.12 2.72 -0.02 -1.26 -0.33 135.00 138.85 2buu n PRO 115 Ca -0.17 0.69 -0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2buu n PRO 115 Cb 0.52 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 2buu n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2buu n GLY 116 N 0.76 2.15 3.81 -1.23 0.00 0.11 -4.60 105.19 106.19 2buu n GLY 116 Ca 0.07 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.63 2buu n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buu s ARG 117 N -2.03 3.17 -1.34 1.61 0.52 -1.26 -3.93 118.95 115.70 2buu s ARG 117 Ca 0.01 1.14 -0.12 0.00 -0.52 0.00 0.00 55.73 56.24 2buu s ARG 117 Cb -0.00 -2.02 0.01 0.00 0.52 0.00 0.00 34.95 33.46 2buu s ARG 117 CO 0.00 -0.92 0.47 1.63 0.02 0.00 0.00 175.30 176.50 2buu n LYS 118 N -2.37 -1.72 -0.90 3.54 5.02 -1.26 -1.61 118.16 118.87 2buu n LYS 118 Ca 0.08 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 2buu n LYS 118 Cb 0.53 -3.82 0.00 0.00 -0.02 0.00 0.00 35.03 31.72 2buu n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buu n GLY 119 N -2.07 0.64 3.91 0.72 0.00 -1.26 -5.01 105.19 102.12 2buu n GLY 119 Ca -0.23 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.51 2buu n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2buu s SER 120 N -2.55 4.29 -0.10 1.61 1.04 -0.63 -4.88 113.70 112.48 2buu s SER 120 Ca 0.00 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.05 2buu s SER 120 Cb 0.00 -1.03 0.01 0.00 0.10 0.00 0.00 66.02 65.10 2buu s SER 120 CO 0.00 -2.01 -0.16 -0.89 0.98 0.00 0.00 173.24 171.16 2buu s THR 121 N -3.57 1.52 0.38 2.02 2.01 -1.26 0.07 115.64 116.81 2buu s THR 121 Ca 0.64 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.87 2buu s THR 121 Cb -0.09 -1.38 -0.06 0.00 0.01 0.00 0.00 72.50 70.97 2buu s THR 121 CO 0.49 0.44 0.73 -1.10 -0.69 0.00 0.00 174.62 174.49 2buu s GLN 122 N 0.85 3.78 0.63 4.92 -0.21 0.55 -4.62 119.66 125.55 2buu s GLN 122 Ca -0.09 0.42 -0.14 0.00 0.02 0.00 0.00 55.36 55.56 2buu s GLN 122 Cb -0.15 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.40 2buu s GLN 122 CO 0.01 0.03 1.06 0.00 -2.12 0.00 0.00 175.29 174.26 2buu s ALA 123 N -2.28 2.71 0.30 6.09 0.00 -1.26 -3.84 121.76 123.47 2buu s ALA 123 Ca 0.50 0.32 -0.29 0.00 0.00 0.00 0.00 51.96 52.49 2buu s ALA 123 Cb -0.10 -3.22 -0.13 0.00 0.00 0.00 0.00 23.12 19.67 2buu s ALA 123 CO 0.29 -0.95 1.30 -2.30 0.00 0.00 0.00 175.76 174.10 2buu n PRO 124 N -2.36 2.01 -3.46 0.00 -0.02 -1.26 -4.72 135.00 125.19 2buu n PRO 124 Ca 0.08 0.71 -0.11 0.00 -2.02 0.00 0.00 63.50 62.16 2buu n PRO 124 Cb 0.53 -2.29 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2buu n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2buu s HIS 125 N -0.74 -0.50 -0.08 6.00 -3.43 -1.26 -4.36 115.29 110.92 2buu s HIS 125 Ca 0.60 0.27 0.05 0.00 -0.80 0.00 0.00 55.06 55.18 2buu s HIS 125 Cb -0.61 0.57 -0.01 0.00 -1.43 0.00 0.00 32.58 31.10 2buu s HIS 125 CO 0.58 -0.87 -0.24 0.42 -2.00 0.00 0.00 174.74 172.63 2buu s ILE 126 N -3.73 2.14 -0.03 -5.38 1.01 -0.63 -4.70 121.20 109.88 2buu s ILE 126 Ca 0.02 -1.01 -0.23 0.00 0.00 0.00 0.00 60.65 59.42 2buu s ILE 126 Cb -0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 2buu s ILE 126 CO -0.11 0.56 0.71 -0.44 0.00 0.00 0.00 174.94 175.66 2buu s SER 127 N 0.08 7.05 0.04 3.58 0.01 -0.20 -0.79 113.70 123.48 2buu s SER 127 Ca -0.11 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.46 2buu s SER 127 Cb -0.16 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 2buu s SER 127 CO 0.06 -0.05 -0.13 -0.22 0.41 0.00 0.00 173.24 173.31 2buu s LEU 128 N 0.42 2.19 0.02 2.44 0.20 -0.55 -0.85 118.68 122.54 2buu s LEU 128 Ca 0.37 -0.47 0.02 0.00 0.69 0.00 0.00 54.13 54.74 2buu s LEU 128 Cb -0.19 -0.53 -0.01 0.00 -0.43 0.00 0.00 46.19 45.03 2buu s LEU 128 CO 0.19 -0.01 -0.07 -0.51 -0.29 0.00 0.00 176.35 175.66 2buu s ILE 129 N -0.93 0.55 -0.07 6.68 2.07 -0.48 -1.04 121.20 127.97 2buu s ILE 129 Ca -0.00 -0.63 0.04 0.00 -1.41 0.00 0.00 60.65 58.66 2buu s ILE 129 Cb -0.08 -0.53 -0.00 0.00 0.13 0.00 0.00 42.46 41.98 2buu s ILE 129 CO 0.01 -0.07 -0.22 -0.63 -1.91 0.00 0.00 174.94 172.13 2buu s ILE 130 N -0.66 1.85 0.01 2.00 1.01 -0.72 -1.43 121.20 123.26 2buu s ILE 130 Ca -0.02 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.75 2buu s ILE 130 Cb -0.06 -1.59 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 2buu s ILE 130 CO 0.00 0.52 -0.15 -0.36 0.00 0.00 0.00 174.94 174.95 2buu s PHE 131 N 0.18 1.32 -0.08 3.97 0.08 -0.19 -1.84 117.98 121.42 2buu s PHE 131 Ca -0.12 -0.29 -0.32 0.00 0.12 0.00 0.00 56.93 56.33 2buu s PHE 131 Cb -0.15 -0.82 0.12 0.00 -0.57 0.00 0.00 43.02 41.59 2buu s PHE 131 CO 0.06 0.01 1.22 0.00 -0.10 0.00 0.00 175.22 176.40 2buu s ALA 132 N -0.54 -2.12 0.28 5.36 0.00 -1.26 -0.85 121.76 122.64 2buu s ALA 132 Ca 0.05 1.04 -0.29 0.00 0.00 0.00 0.00 51.96 52.76 2buu s ALA 132 Cb -0.07 0.19 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 2buu s ALA 132 CO 0.00 -0.85 1.08 -2.13 0.00 0.00 0.00 175.76 173.86 2buu n ARG 133 N -0.32 1.47 0.00 0.00 0.63 -1.24 -1.20 116.66 116.00 2buu n ARG 133 Ca -0.05 0.52 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 2buu n ARG 133 Cb 0.61 -1.94 0.00 0.00 0.45 0.00 0.00 32.46 31.58 2buu n ARG 133 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2buu n GLY 134 N 1.29 2.62 3.34 5.14 0.00 -1.26 -4.95 105.19 111.36 2buu n GLY 134 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 2buu n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buu s ILE 135 N -2.24 4.22 0.21 -0.61 1.01 -0.34 -4.97 121.20 118.47 2buu s ILE 135 Ca 0.00 -0.89 0.09 0.00 0.00 0.00 0.00 60.65 59.85 2buu s ILE 135 Cb 0.00 -3.32 -0.10 0.00 0.01 0.00 0.00 42.46 39.04 2buu s ILE 135 CO 0.00 -0.15 1.47 0.78 0.00 0.00 0.00 174.94 177.05 2buu h ASN 136 N 8.33 0.00 -3.52 3.58 2.35 -1.90 -3.35 115.58 121.07 2buu h ASN 136 Ca -0.26 -0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.13 2buu h ASN 136 Cb 1.10 -0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.14 2buu h ASN 136 CO 0.63 0.78 -0.75 -0.63 -1.65 0.00 0.00 177.43 175.81 2buu s ILE 137 N -3.24 0.26 0.15 2.81 1.01 -1.26 -3.25 121.20 117.69 2buu s ILE 137 Ca -0.00 0.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.33 2buu s ILE 137 Cb 0.12 -0.33 -0.16 0.00 0.01 0.00 0.00 42.46 42.09 2buu s ILE 137 CO 0.79 0.16 1.11 0.61 0.00 0.00 0.00 174.94 177.60 2buu n GLY 138 N 4.02 -0.12 3.65 6.18 0.00 -1.26 -4.92 105.19 112.74 2buu n GLY 138 Ca -0.26 0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.92 2buu n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buu s LEU 139 N 0.77 4.12 -0.00 0.99 1.43 -0.77 -4.88 118.68 120.33 2buu s LEU 139 Ca 0.75 0.51 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 2buu s LEU 139 Cb -0.91 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.69 2buu s LEU 139 CO 0.53 -0.15 0.40 -1.00 0.23 0.00 0.00 176.35 176.36 2buu s HIS 140 N 1.68 3.72 0.35 0.29 3.76 -1.26 -1.75 115.29 122.08 2buu s HIS 140 Ca 0.20 0.98 -0.05 0.00 -0.15 0.00 0.00 55.06 56.04 2buu s HIS 140 Cb -0.15 -2.28 0.01 0.00 1.11 0.00 0.00 32.58 31.27 2buu s HIS 140 CO 0.09 0.64 0.54 -0.08 -0.85 0.00 0.00 174.74 175.08 2buu s THR 141 N -1.05 0.00 0.10 1.30 -1.32 -0.21 -0.81 115.64 113.65 2buu s THR 141 Ca 0.23 -1.48 0.05 0.00 -1.21 0.00 0.00 61.69 59.28 2buu s THR 141 Cb -0.17 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.10 2buu s THR 141 CO 0.13 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.29 2buu s ARG 142 N -2.89 0.88 -0.19 7.08 0.52 -1.26 -1.48 118.95 121.62 2buu s ARG 142 Ca 0.28 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.36 2buu s ARG 142 Cb -0.01 -0.73 0.00 0.00 0.52 0.00 0.00 34.95 34.73 2buu s ARG 142 CO 0.19 0.14 -0.13 0.08 0.02 0.00 0.00 175.30 175.60 2buu s VAL 143 N -1.98 2.70 0.45 3.52 1.01 0.02 -4.76 120.40 121.37 2buu s VAL 143 Ca 0.04 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.36 2buu s VAL 143 Cb -0.06 -2.17 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 2buu s VAL 143 CO 0.02 0.49 0.35 -0.31 0.00 0.00 0.00 175.10 175.65 2buu s TYR 144 N 1.19 2.37 -0.08 5.22 1.51 0.78 -1.61 117.35 126.73 2buu s TYR 144 Ca 0.02 -0.61 0.04 0.00 -1.01 0.00 0.00 57.07 55.51 2buu s TYR 144 Cb -0.14 -2.06 -0.01 0.00 -0.11 0.00 0.00 41.96 39.64 2buu s TYR 144 CO -0.06 -0.17 -0.20 -0.06 -1.11 0.00 0.00 175.55 173.95 2buu s PHE 145 N -2.59 2.59 -0.23 2.71 0.08 -1.26 -0.30 117.98 118.98 2buu s PHE 145 Ca 0.43 -0.68 0.27 0.00 0.12 0.00 0.00 56.93 57.07 2buu s PHE 145 Cb -0.01 -1.68 1.20 0.00 -0.57 0.00 0.00 43.02 41.96 2buu s PHE 145 CO 0.25 -0.19 1.80 0.38 -0.10 0.00 0.00 175.22 177.36 2buu h ASP 146 N 6.22 0.00 -0.33 1.36 2.03 -1.60 -1.67 116.42 122.43 2buu h ASP 146 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 2buu h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2buu h ASP 146 CO 0.49 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.80 2buu n ASP 147 N -2.47 1.96 -2.23 4.15 5.75 -1.26 -3.94 116.55 118.51 2buu n ASP 147 Ca 0.01 -2.05 -0.26 0.00 -0.01 0.00 0.00 54.79 52.48 2buu n ASP 147 Cb 0.20 -0.27 0.02 0.00 -1.03 0.00 0.00 41.12 40.04 2buu n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2buu n GLU 148 N 0.46 3.47 -0.21 0.11 -0.58 -0.63 -4.86 120.64 118.41 2buu n GLU 148 Ca 0.11 -4.21 0.01 0.00 -0.42 0.00 0.00 57.16 52.65 2buu n GLU 148 Cb 0.33 -2.27 0.11 0.00 -0.57 0.00 0.00 31.44 29.04 2buu n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2buu h ALA 149 N 2.33 0.63 0.02 0.62 0.00 -1.77 0.23 119.26 121.33 2buu h ALA 149 Ca 0.37 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2buu h ALA 149 Cb 1.23 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.34 2buu h ALA 149 CO 0.86 -0.39 -0.01 1.49 0.00 0.00 0.00 179.25 181.21 2buu h GLU 150 N 0.13 -0.02 -0.16 0.00 4.57 -1.94 -1.24 114.58 115.92 2buu h GLU 150 Ca 0.33 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.41 2buu h GLU 150 Cb 0.53 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2buu h GLU 150 CO -0.52 0.08 -0.34 0.00 -1.18 0.00 0.00 179.01 177.05 2buu h ALA 151 N 0.86 1.13 -0.67 2.92 0.00 -1.80 -3.14 119.26 118.57 2buu h ALA 151 Ca -0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2buu h ALA 151 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2buu h ALA 151 CO 0.00 0.56 0.12 -0.91 0.00 0.00 0.00 179.25 179.02 2buu h ASN 152 N 0.28 1.06 0.05 0.00 2.35 -0.34 -1.82 115.58 117.16 2buu h ASN 152 Ca 0.03 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.52 2buu h ASN 152 Cb 0.74 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.82 2buu h ASN 152 CO 0.06 1.05 -0.01 0.00 -1.65 0.00 0.00 177.43 176.87 2buu h ALA 153 N 1.05 1.39 -0.04 -0.83 0.00 -1.18 -2.13 119.26 117.53 2buu h ALA 153 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2buu h ALA 153 Cb 0.43 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2buu h ALA 153 CO 0.01 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.91 2buu n LYS 154 N -3.66 1.25 -1.95 0.00 5.02 -0.98 -4.93 118.16 112.91 2buu n LYS 154 Ca -0.03 -1.47 -0.42 0.00 -2.02 0.00 0.00 58.31 54.37 2buu n LYS 154 Cb 0.10 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 2buu n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2buu s ASP 155 N -1.30 6.61 0.17 4.39 2.15 -0.72 -4.91 116.67 123.05 2buu s ASP 155 Ca 0.19 2.52 -0.14 0.00 0.43 0.00 0.00 52.55 55.55 2buu s ASP 155 Cb 0.13 -2.58 0.06 0.00 -0.30 0.00 0.00 42.92 40.24 2buu s ASP 155 CO 0.20 -0.85 1.80 -0.65 -0.17 0.00 0.00 175.17 175.50 2buu h PRO 156 N 7.68 0.73 -0.01 4.34 0.11 -1.90 -1.00 132.00 141.95 2buu h PRO 156 Ca -0.42 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 2buu h PRO 156 Cb 1.20 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2buu h PRO 156 CO 0.92 0.53 0.00 0.28 -0.21 0.00 0.00 178.00 179.52 2buu h VAL 157 N 0.71 1.22 -0.84 3.15 2.07 -1.98 -1.76 116.25 118.83 2buu h VAL 157 Ca 0.19 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.11 2buu h VAL 157 Cb -0.00 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 2buu h VAL 157 CO -0.03 0.17 0.53 -0.07 0.02 0.00 0.00 177.57 178.18 2buu h LEU 158 N -0.26 0.86 -0.43 2.57 3.38 -1.89 0.88 115.31 120.42 2buu h LEU 158 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2buu h LEU 158 Cb 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2buu h LEU 158 CO 0.00 0.58 0.00 0.59 0.09 0.00 0.00 178.44 179.70 2buu n ASN 159 N -4.59 0.35 -0.39 -0.43 3.02 -0.38 -2.05 115.26 110.78 2buu n ASN 159 Ca 0.11 0.60 0.14 0.00 -0.03 0.00 0.00 54.58 55.39 2buu n ASN 159 Cb 0.12 -0.67 0.51 0.00 -0.61 0.00 0.00 39.78 39.14 2buu n ASN 159 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2buu n SER 160 N -1.90 1.28 -4.55 6.41 3.41 0.30 -4.68 113.62 113.89 2buu n SER 160 Ca 0.02 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 56.91 2buu n SER 160 Cb 0.17 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.10 2buu n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buu s ILE 161 N -2.14 4.66 -0.20 -1.33 1.01 -0.87 -4.92 121.20 117.41 2buu s ILE 161 Ca 0.35 0.56 0.29 0.00 0.00 0.00 0.00 60.65 61.84 2buu s ILE 161 Cb 0.21 -4.30 0.33 0.00 0.01 0.00 0.00 42.46 38.71 2buu s ILE 161 CO 0.39 -0.65 1.85 1.05 0.00 0.00 0.00 174.94 177.57 2buu h GLU 162 N 8.86 0.00 -4.48 2.79 4.11 -1.88 -3.37 114.58 120.61 2buu h GLU 162 Ca -0.25 0.00 -0.72 0.00 0.07 0.00 0.00 59.36 58.46 2buu h GLU 162 Cb 1.09 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.12 2buu h GLU 162 CO 0.95 0.00 0.02 -1.58 0.07 0.00 0.00 179.01 178.47 2buu s TRP 163 N -3.47 3.10 0.49 2.06 0.51 -1.26 -4.91 118.94 115.46 2buu s TRP 163 Ca 0.03 -1.10 0.16 0.00 -2.12 0.00 0.00 56.10 53.07 2buu s TRP 163 Cb 0.09 -3.95 1.18 0.00 -0.81 0.00 0.00 33.47 29.98 2buu s TRP 163 CO 0.51 -1.21 2.09 0.00 -0.51 0.00 0.00 176.95 177.83 2buu h ALA 164 N 9.05 1.86 0.00 0.98 0.00 -1.97 -1.66 119.26 127.52 2buu h ALA 164 Ca -0.28 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 2buu h ALA 164 Cb 1.09 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 2buu h ALA 164 CO 1.07 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 180.41 2buu h THR 165 N 0.00 0.03 0.00 0.00 1.03 -1.93 -2.12 112.91 109.91 2buu h THR 165 Ca -0.00 -0.27 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 2buu h THR 165 Cb 0.13 1.26 0.00 0.00 -1.07 0.00 0.00 68.15 68.47 2buu h THR 165 CO 0.01 0.01 -0.34 0.03 -0.01 0.00 0.00 175.52 175.22 2buu h ARG 166 N 0.00 0.00 -0.61 0.00 3.08 -1.69 -3.31 114.38 111.85 2buu h ARG 166 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2buu h ARG 166 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.28 2buu h ARG 166 CO 0.00 0.00 0.39 0.00 -1.07 0.00 0.00 179.97 179.29 2buu h ARG 167 N 0.00 0.80 -0.01 0.04 3.08 -1.50 -1.58 114.38 115.22 2buu h ARG 167 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2buu h ARG 167 Cb 0.83 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.70 2buu h ARG 167 CO 0.00 0.54 0.01 -0.56 -1.07 0.00 0.00 179.97 178.89 2buu h GLN 168 N 0.83 0.00 0.00 0.04 3.07 -1.74 -1.69 115.11 115.62 2buu h GLN 168 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.96 2buu h GLN 168 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.48 2buu h GLN 168 CO -0.05 0.00 0.00 0.25 0.09 0.00 0.00 178.83 179.12 2buu n THR 169 N -3.64 1.01 0.35 1.86 -2.24 -0.59 -2.37 114.28 108.65 2buu n THR 169 Ca -0.03 0.26 0.11 0.00 -2.27 0.00 0.00 64.05 62.13 2buu n THR 169 Cb 0.09 -1.06 0.25 0.00 -2.10 0.00 0.00 70.33 67.52 2buu n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2buu n LEU 170 N -1.65 3.25 -4.44 3.22 4.77 -0.63 -4.81 117.00 116.70 2buu n LEU 170 Ca 0.03 -1.44 -0.38 0.00 -0.03 0.00 0.00 56.01 54.19 2buu n LEU 170 Cb 0.17 -0.27 -0.12 0.00 -2.33 0.00 0.00 43.42 40.87 2buu n LEU 170 CO 0.14 0.72 -0.22 -0.69 -1.33 0.00 0.00 177.39 176.01 2buu s VAL 171 N -1.46 4.54 0.48 4.08 1.01 -1.00 -0.16 120.40 127.89 2buu s VAL 171 Ca 0.39 -0.37 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 2buu s VAL 171 Cb 0.22 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2buu s VAL 171 CO 0.31 0.12 0.93 0.00 0.00 0.00 0.00 175.10 176.46 2buu s ALA 172 N 1.61 3.13 -0.22 5.51 0.00 0.58 -4.84 121.76 127.53 2buu s ALA 172 Ca 0.05 0.13 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 2buu s ALA 172 Cb -0.17 -3.03 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 2buu s ALA 172 CO 0.06 -0.14 0.12 0.15 0.00 0.00 0.00 175.76 175.96 2buu s LYS 173 N -3.90 4.02 0.24 0.00 1.02 -0.89 -1.54 119.74 118.69 2buu s LYS 173 Ca 0.58 -0.30 -0.30 0.00 0.02 0.00 0.00 55.97 55.97 2buu s LYS 173 Cb -0.10 -3.43 -0.09 0.00 -0.52 0.00 0.00 37.83 33.70 2buu s LYS 173 CO 0.29 0.12 1.01 0.50 -0.92 0.00 0.00 175.35 176.35 2buu s ARG 174 N 0.86 4.75 0.07 1.68 3.52 -1.26 -1.54 118.95 127.03 2buu s ARG 174 Ca 0.06 1.62 -0.06 0.00 -0.13 0.00 0.00 55.73 57.22 2buu s ARG 174 Cb -0.13 -3.25 -0.01 0.00 -1.56 0.00 0.00 34.95 29.99 2buu s ARG 174 CO 0.03 0.35 0.12 -1.21 -0.81 0.00 0.00 175.30 173.78 2buu s GLU 175 N -1.12 0.73 -0.19 5.12 2.02 0.11 -4.97 118.70 120.39 2buu s GLU 175 Ca 0.43 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.46 2buu s GLU 175 Cb -0.28 0.29 0.04 0.00 0.10 0.00 0.00 34.13 34.27 2buu s GLU 175 CO 0.35 -0.20 -0.10 -1.21 0.02 0.00 0.00 175.26 174.12 2buu s GLU 176 N -3.59 2.03 -0.48 1.61 2.02 -1.26 -0.24 118.70 118.78 2buu s GLU 176 Ca 0.03 -0.79 -0.03 0.00 0.02 0.00 0.00 54.97 54.20 2buu s GLU 176 Cb 0.04 -2.36 0.13 0.00 0.10 0.00 0.00 34.13 32.04 2buu s GLU 176 CO -0.09 -0.41 0.28 1.03 0.02 0.00 0.00 175.26 176.10 2buu s ARG 177 N 1.42 2.20 -1.02 1.61 0.52 -0.14 -4.70 118.95 118.84 2buu s ARG 177 Ca -0.00 -2.02 -0.05 0.00 -0.52 0.00 0.00 55.73 53.14 2buu s ARG 177 Cb -0.16 -3.66 0.01 0.00 0.52 0.00 0.00 34.95 31.66 2buu s ARG 177 CO -0.08 -1.11 0.89 -0.25 0.02 0.00 0.00 175.30 174.76 2buu n ASP 178 N 4.31 -4.58 0.00 0.23 8.00 -1.26 -1.69 116.55 121.56 2buu n ASP 178 Ca 0.00 -0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.07 2buu n ASP 178 Cb 0.40 -4.04 0.00 0.00 -0.02 0.00 0.00 41.12 37.47 2buu n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buu n GLY 179 N -1.54 1.18 3.82 0.44 0.00 -1.26 -4.99 105.19 102.84 2buu n GLY 179 Ca -0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2buu n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buu s GLU 180 N -0.11 3.84 -0.17 1.61 2.02 -0.68 -5.06 118.70 120.14 2buu s GLU 180 Ca 0.00 0.16 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 2buu s GLU 180 Cb 0.00 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.94 2buu s GLU 180 CO 0.00 0.61 0.57 0.08 0.02 0.00 0.00 175.26 176.54 2buu s VAL 181 N -0.69 5.08 -0.04 2.63 1.01 -1.26 -0.97 120.40 126.16 2buu s VAL 181 Ca 0.19 1.08 0.06 0.00 0.00 0.00 0.00 61.98 63.31 2buu s VAL 181 Cb -0.14 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2buu s VAL 181 CO 0.08 0.18 -0.22 -0.69 0.00 0.00 0.00 175.10 174.45 2buu s VAL 182 N 1.50 1.83 -0.16 2.92 1.01 0.66 -0.98 120.40 127.19 2buu s VAL 182 Ca 0.27 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2buu s VAL 182 Cb -0.16 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.67 2buu s VAL 182 CO 0.11 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.27 2buu s TYR 183 N -0.21 2.81 -0.23 5.22 2.02 0.19 0.08 117.35 127.22 2buu s TYR 183 Ca -0.00 -1.03 -0.13 0.00 -0.37 0.00 0.00 57.07 55.53 2buu s TYR 183 Cb -0.12 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.48 2buu s TYR 183 CO 0.02 -0.48 0.28 0.50 -1.57 0.00 0.00 175.55 174.30 2buu s ARG 184 N 0.90 4.09 -0.28 -0.62 6.06 -0.59 -1.37 118.95 127.14 2buu s ARG 184 Ca -0.03 -0.06 -0.01 0.00 -2.50 0.00 0.00 55.73 53.12 2buu s ARG 184 Cb -0.15 -3.56 0.09 0.00 0.06 0.00 0.00 34.95 31.38 2buu s ARG 184 CO -0.01 -0.04 0.07 0.12 -2.50 0.00 0.00 175.30 172.94 2buu s PHE 185 N 1.35 1.63 0.03 5.12 5.36 0.51 -2.10 117.98 129.88 2buu s PHE 185 Ca 0.13 -1.57 -0.14 0.00 -0.96 0.00 0.00 56.93 54.39 2buu s PHE 185 Cb -0.14 -1.58 -0.06 0.00 -0.34 0.00 0.00 43.02 40.90 2buu s PHE 185 CO 0.07 -0.82 0.42 -0.51 -1.46 0.00 0.00 175.22 172.92 2buu s ASP 186 N 1.64 6.78 -0.11 6.13 1.01 -1.26 -4.16 116.67 126.71 2buu s ASP 186 Ca 0.07 0.94 -0.00 0.00 0.71 0.00 0.00 52.55 54.26 2buu s ASP 186 Cb -0.17 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 2buu s ASP 186 CO -0.21 0.28 -0.09 -0.63 0.21 0.00 0.00 175.17 174.73 2buu s ILE 187 N -1.18 3.48 -0.24 0.77 1.01 -0.52 -4.97 121.20 119.56 2buu s ILE 187 Ca 0.27 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.41 2buu s ILE 187 Cb -0.16 -2.46 0.05 0.00 0.01 0.00 0.00 42.46 39.91 2buu s ILE 187 CO 0.15 0.55 -0.12 -0.13 0.00 0.00 0.00 174.94 175.39 2buu s ARG 188 N -0.14 2.27 0.23 2.79 0.52 -1.26 -0.29 118.95 123.06 2buu s ARG 188 Ca 0.01 -1.21 0.06 0.00 -0.52 0.00 0.00 55.73 54.07 2buu s ARG 188 Cb -0.13 -2.78 0.21 0.00 0.52 0.00 0.00 34.95 32.77 2buu s ARG 188 CO 0.03 -0.51 1.53 0.82 0.02 0.00 0.00 175.30 177.18 2buu h ILE 189 N 6.62 1.45 -3.57 1.52 2.04 -1.51 -0.33 117.51 123.73 2buu h ILE 189 Ca -0.23 -2.24 -0.09 0.00 1.00 0.00 0.00 64.86 63.30 2buu h ILE 189 Cb 1.06 2.19 -0.15 0.00 -0.74 0.00 0.00 36.82 39.18 2buu h ILE 189 CO 0.48 0.65 -0.31 -1.58 0.00 0.00 0.00 178.15 177.39 2buu s GLN 190 N -3.54 0.82 0.21 2.37 0.74 -1.26 -4.77 119.66 114.24 2buu s GLN 190 Ca -0.02 -0.73 0.00 0.00 0.05 0.00 0.00 55.36 54.65 2buu s GLN 190 Cb 0.12 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.57 2buu s GLN 190 CO 0.79 -0.26 0.00 0.41 -0.55 0.00 0.00 175.29 175.68 2buu n GLY 191 N 0.27 -1.05 3.77 2.59 0.00 -1.26 -4.59 105.19 104.92 2buu n GLY 191 Ca -0.17 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.60 2buu n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buu s GLU 192 N 0.00 4.07 -1.54 1.61 2.02 -1.26 -2.65 118.70 120.94 2buu s GLU 192 Ca 0.00 1.87 -0.02 0.00 0.02 0.00 0.00 54.97 56.83 2buu s GLU 192 Cb 0.00 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.54 2buu s GLU 192 CO 0.00 -0.32 0.23 0.09 0.02 0.00 0.00 175.26 175.29 2buu n ASN 193 N 0.11 -5.42 -4.71 -0.19 3.02 -1.26 -4.89 115.26 101.92 2buu n ASN 193 Ca 0.04 -0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.07 2buu n ASN 193 Cb 0.46 -4.48 -0.02 0.00 -0.61 0.00 0.00 39.78 35.13 2buu n ASN 193 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2buu n GLU 194 N -3.36 2.47 -2.18 3.52 2.13 -1.09 -4.68 120.64 117.45 2buu n GLU 194 Ca -0.17 0.88 -0.41 0.00 0.66 0.00 0.00 57.16 58.12 2buu n GLU 194 Cb 0.64 -2.63 -0.03 0.00 0.27 0.00 0.00 31.44 29.69 2buu n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buu s THR 195 N 0.19 2.93 0.24 6.31 2.01 -0.13 -4.94 115.64 122.25 2buu s THR 195 Ca 0.68 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 63.26 2buu s THR 195 Cb -0.56 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.29 2buu s THR 195 CO 0.46 0.19 1.49 -0.69 -0.69 0.00 0.00 174.62 175.38 2buu s VAL 196 N -0.79 2.54 0.01 3.82 1.01 -1.26 -4.94 120.40 120.78 2buu s VAL 196 Ca 0.51 0.44 0.08 0.00 0.00 0.00 0.00 61.98 63.01 2buu s VAL 196 Cb -0.38 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 2buu s VAL 196 CO 0.47 0.06 -0.25 -0.36 0.00 0.00 0.00 175.10 175.03 2buu s PHE 197 N 0.20 2.19 0.14 5.22 0.08 -1.26 -4.68 117.98 119.87 2buu s PHE 197 Ca 0.62 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 57.32 2buu s PHE 197 Cb -0.43 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2buu s PHE 197 CO 0.42 0.04 0.05 -0.06 -0.10 0.00 0.00 175.22 175.57 2buu s PHE 198 N -0.69 3.01 -0.36 0.36 0.08 0.01 -5.00 117.98 115.39 2buu s PHE 198 Ca 0.10 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 57.01 2buu s PHE 198 Cb -0.10 -1.49 0.03 0.00 -0.57 0.00 0.00 43.02 40.90 2buu s PHE 198 CO 0.01 0.51 0.17 0.34 -0.10 0.00 0.00 175.22 176.14 2buu s ASP 199 N -2.76 5.58 0.00 1.36 -1.08 -1.26 -4.18 116.67 114.32 2buu s ASP 199 Ca 0.28 -1.04 0.21 0.00 -0.52 0.00 0.00 52.55 51.49 2buu s ASP 199 Cb -0.10 -1.97 0.17 0.00 -1.46 0.00 0.00 42.92 39.56 2buu s ASP 199 CO 0.20 -0.36 1.18 2.30 0.52 0.00 0.00 175.17 179.01