#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2buz s LEU 5 N 0.00 3.99 0.05 4.31 1.43 -1.26 -5.10 118.68 122.10 2buz s LEU 5 Ca 0.00 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.90 2buz s LEU 5 Cb 0.00 -2.57 -0.06 0.00 0.03 0.00 0.00 46.19 43.60 2buz s LEU 5 CO 0.00 0.02 0.43 -0.54 0.23 0.00 0.00 176.35 176.49 2buz s LYS 6 N -3.41 3.88 0.44 1.70 1.02 -1.26 -5.04 119.74 117.07 2buz s LYS 6 Ca 0.33 0.35 -0.25 0.00 0.02 0.00 0.00 55.97 56.42 2buz s LYS 6 Cb -0.10 -3.11 -0.09 0.00 -0.52 0.00 0.00 37.83 34.01 2buz s LYS 6 CO 0.26 0.62 1.26 -1.91 -0.92 0.00 0.00 175.35 174.66 2buz n GLU 7 N 1.40 1.86 -1.71 1.68 2.13 -1.26 -4.91 120.64 119.83 2buz n GLU 7 Ca -0.11 0.66 -0.43 0.00 0.66 0.00 0.00 57.16 57.94 2buz n GLU 7 Cb 0.52 -2.38 -0.03 0.00 0.27 0.00 0.00 31.44 29.83 2buz n GLU 7 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2buz n THR 8 N -0.32 0.58 -2.19 6.31 -1.04 -1.26 -4.92 114.28 111.44 2buz n THR 8 Ca 0.07 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.05 61.55 2buz n THR 8 Cb 0.40 -1.76 -0.01 0.00 -1.82 0.00 0.00 70.33 67.14 2buz n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2buz s PRO 9 N 0.17 3.95 0.61 -2.82 0.04 -1.26 -5.01 135.00 130.67 2buz s PRO 9 Ca 0.70 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 63.54 2buz s PRO 9 Cb -0.57 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2buz s PRO 9 CO 0.43 -0.44 1.05 0.45 0.04 0.00 0.00 177.00 178.53 2buz s SER 10 N -1.03 5.74 0.06 6.66 0.15 -1.26 -5.08 113.70 118.94 2buz s SER 10 Ca 0.58 1.77 -0.05 0.00 0.70 0.00 0.00 55.95 58.95 2buz s SER 10 Cb -0.33 -2.52 -0.02 0.00 -1.71 0.00 0.00 66.02 61.43 2buz s SER 10 CO 0.42 -1.20 0.08 -1.10 1.20 0.00 0.00 173.24 172.64 2buz s GLN 11 N -4.27 0.69 0.65 5.44 -1.52 -1.20 -4.92 119.66 114.54 2buz s GLN 11 Ca 0.62 -1.02 -0.18 0.00 -1.95 0.00 0.00 55.36 52.83 2buz s GLN 11 Cb -0.15 0.26 -0.01 0.00 -0.22 0.00 0.00 33.01 32.89 2buz s GLN 11 CO 0.40 -0.18 1.26 -2.37 -0.25 0.00 0.00 175.29 174.15 2buz n THR 12 N 0.18 4.77 0.27 -0.19 5.66 -1.23 -4.73 114.28 119.00 2buz n THR 12 Ca -0.15 -0.49 0.16 0.00 -3.05 0.00 0.00 64.05 60.52 2buz n THR 12 Cb 0.61 -1.45 0.59 0.00 -1.55 0.00 0.00 70.33 68.53 2buz n THR 12 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 2buz h GLY 13 N 0.47 0.00 0.00 1.09 0.00 -1.74 -3.50 103.07 99.39 2buz h GLY 13 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2buz h GLY 13 CO 0.52 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.67 2buz n GLY 14 N 0.23 -1.76 0.15 4.60 0.00 -1.26 -3.96 105.19 103.19 2buz n GLY 14 Ca 0.01 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.64 2buz n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2buz h PRO 15 N 0.00 0.00 -0.52 1.61 0.13 -1.92 -3.04 132.00 128.26 2buz h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2buz h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2buz h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 2buz n TYR 16 N -2.34 1.41 0.12 1.56 4.01 -1.26 -4.68 117.16 115.98 2buz n TYR 16 Ca 0.02 -0.69 0.02 0.00 -0.16 0.00 0.00 57.90 57.10 2buz n TYR 16 Cb 0.25 -0.30 0.12 0.00 -0.31 0.00 0.00 39.34 39.10 2buz n TYR 16 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 2buz n VAL 17 N 0.59 0.37 1.19 -0.72 3.14 -1.15 -0.33 118.33 121.41 2buz n VAL 17 Ca 0.24 0.68 0.13 0.00 -2.96 0.00 0.00 64.34 62.42 2buz n VAL 17 Cb 0.92 -1.68 0.31 0.00 -1.06 0.00 0.00 33.84 32.33 2buz n VAL 17 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2buz n HIS 18 N -1.68 0.00 -0.14 1.45 -0.00 -1.26 -1.50 115.22 112.09 2buz n HIS 18 Ca -0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 2buz n HIS 18 Cb 0.49 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.99 30.35 2buz n HIS 18 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2buz h ILE 19 N 1.26 1.28 0.07 0.61 2.04 -0.96 -0.50 117.51 121.30 2buz h ILE 19 Ca 0.00 -1.36 -0.31 0.00 1.00 0.00 0.00 64.86 64.18 2buz h ILE 19 Cb 0.54 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 2buz h ILE 19 CO 0.00 0.46 -1.71 1.23 0.00 0.00 0.00 178.15 178.13 2buz h GLY 20 N 0.72 0.18 0.26 5.37 0.00 -1.69 -3.27 103.07 104.65 2buz h GLY 20 Ca 0.09 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2buz h GLY 20 CO 0.06 0.40 -1.74 1.04 0.00 0.00 0.00 176.54 176.31 2buz n LEU 21 N -3.31 0.22 -3.17 3.11 4.32 -0.56 -4.55 117.00 113.06 2buz n LEU 21 Ca -0.20 0.09 -0.18 0.00 -0.02 0.00 0.00 56.01 55.69 2buz n LEU 21 Cb 1.04 -0.02 -0.03 0.00 -1.62 0.00 0.00 43.42 42.80 2buz n LEU 21 CO 0.46 -0.05 -0.22 0.18 -1.22 0.00 0.00 177.39 176.54 2buz n LEU 22 N -2.37 0.94 -0.28 2.23 4.77 -0.25 -4.89 117.00 117.15 2buz n LEU 22 Ca -0.03 -4.99 0.07 0.00 -0.03 0.00 0.00 56.01 51.03 2buz n LEU 22 Cb 0.57 0.68 0.22 0.00 -2.33 0.00 0.00 43.42 42.56 2buz n LEU 22 CO 0.44 2.27 1.04 1.55 -1.33 0.00 0.00 177.39 181.36 2buz h PRO 23 N 3.00 0.46 -1.17 3.23 0.13 -1.45 -1.33 132.00 134.86 2buz h PRO 23 Ca 0.10 -0.03 0.36 0.00 -0.87 0.00 0.00 66.00 65.55 2buz h PRO 23 Cb 0.96 -0.10 -0.12 0.00 0.13 0.00 0.00 31.00 31.88 2buz h PRO 23 CO 0.51 0.30 0.75 0.87 -0.23 0.00 0.00 178.00 180.20 2buz h LYS 24 N 0.47 0.22 -0.25 0.86 1.79 -1.86 0.50 116.57 118.30 2buz h LYS 24 Ca 0.46 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.92 2buz h LYS 24 Cb 0.73 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2buz h LYS 24 CO -0.43 0.15 0.00 1.04 -1.08 0.00 0.00 179.45 179.13 2buz n GLN 25 N -4.70 1.91 -0.04 3.15 3.00 -0.50 -2.86 117.38 117.33 2buz n GLN 25 Ca 0.32 -1.37 0.04 0.00 -0.01 0.00 0.00 57.00 55.97 2buz n GLN 25 Cb 1.17 -1.40 0.06 0.00 0.00 0.00 0.00 30.24 30.06 2buz n GLN 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2buz n ALA 26 N 0.60 2.11 -2.39 -1.58 0.00 0.16 -4.96 120.51 114.45 2buz n ALA 26 Ca 0.16 -1.54 -0.13 0.00 0.00 0.00 0.00 53.44 51.94 2buz n ALA 26 Cb 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.68 2buz n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2buz n ASN 27 N -0.73 -4.07 -4.18 0.00 4.13 -0.78 -5.00 115.26 104.62 2buz n ASN 27 Ca 0.06 -0.06 -0.35 0.00 1.68 0.00 0.00 54.58 55.90 2buz n ASN 27 Cb 0.39 -3.17 -0.13 0.00 -1.54 0.00 0.00 39.78 35.33 2buz n ASN 27 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2buz s ILE 28 N -2.72 3.13 -1.06 2.41 1.01 -0.26 -5.00 121.20 118.72 2buz s ILE 28 Ca 0.06 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.15 2buz s ILE 28 Cb -0.03 -2.85 0.26 0.00 0.01 0.00 0.00 42.46 39.85 2buz s ILE 28 CO 0.07 -0.20 1.06 -1.61 0.00 0.00 0.00 174.94 174.26 2buz s GLU 29 N 1.25 4.07 -0.06 2.79 2.02 -1.26 -3.32 118.70 124.20 2buz s GLU 29 Ca -0.03 -3.02 0.13 0.00 0.02 0.00 0.00 54.97 52.07 2buz s GLU 29 Cb -0.20 -4.56 -0.19 0.00 0.10 0.00 0.00 34.13 29.28 2buz s GLU 29 CO -0.01 -1.28 0.20 1.55 0.02 0.00 0.00 175.26 175.73 2buz n VAL 30 N 3.08 0.33 -4.34 2.63 3.14 -1.26 -5.00 118.33 116.91 2buz n VAL 30 Ca 0.22 -0.39 -0.31 0.00 -2.96 0.00 0.00 64.34 60.90 2buz n VAL 30 Cb 0.41 -0.14 -0.10 0.00 -1.06 0.00 0.00 33.84 32.95 2buz n VAL 30 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2buz s PHE 31 N -2.69 2.79 -0.07 1.45 2.99 -1.26 -5.03 117.98 116.15 2buz s PHE 31 Ca -0.05 -0.12 -0.23 0.00 0.00 0.00 0.00 56.93 56.53 2buz s PHE 31 Cb 0.07 -1.50 -0.30 0.00 0.00 0.00 0.00 43.02 41.29 2buz s PHE 31 CO 0.54 0.40 0.84 1.49 -0.00 0.00 0.00 175.22 178.49 2buz h GLU 32 N 3.99 0.22 -4.92 0.44 4.81 -2.01 -3.43 114.58 113.68 2buz h GLU 32 Ca -0.48 -0.38 -0.64 0.00 -0.13 0.00 0.00 59.36 57.72 2buz h GLU 32 Cb 1.17 0.14 -0.19 0.00 0.63 0.00 0.00 28.75 30.49 2buz h GLU 32 CO 0.53 1.18 -0.57 -1.01 -0.73 0.00 0.00 179.01 178.42 2buz s HIS 33 N -2.38 3.16 -0.06 0.92 3.76 -1.26 -5.08 115.29 114.34 2buz s HIS 33 Ca -0.15 -0.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 2buz s HIS 33 Cb 0.00 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.35 2buz s HIS 33 CO 0.79 -0.25 -0.13 -0.80 -0.85 0.00 0.00 174.74 173.51 2buz s ASN 34 N 1.70 4.14 0.30 1.40 0.01 -1.26 -5.11 114.94 116.12 2buz s ASN 34 Ca 0.07 -0.18 -0.27 0.00 -0.71 0.00 0.00 52.86 51.77 2buz s ASN 34 Cb -0.16 -1.01 -0.10 0.00 0.41 0.00 0.00 41.25 40.40 2buz s ASN 34 CO 0.08 0.32 0.93 -0.76 -1.51 0.00 0.00 177.10 176.16 2buz s LEU 35 N -0.60 4.40 0.00 0.60 1.43 -1.26 -5.04 118.68 118.21 2buz s LEU 35 Ca 0.09 1.84 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2buz s LEU 35 Cb -0.11 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.19 2buz s LEU 35 CO 0.01 -0.02 0.00 -0.90 0.23 0.00 0.00 176.35 175.67 2buz n ASP 36 N 0.75 0.00 -1.73 2.29 5.68 -1.26 -4.90 116.55 117.38 2buz n ASP 36 Ca 0.01 -0.45 0.07 0.00 -0.50 0.00 0.00 54.79 53.92 2buz n ASP 36 Cb 0.50 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 40.84 2buz n ASP 36 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2buz n ASN 37 N -0.88 5.17 -4.19 -1.12 6.94 -0.91 -1.82 115.26 118.45 2buz n ASN 37 Ca 0.00 -2.77 -0.36 0.00 -0.02 0.00 0.00 54.58 51.43 2buz n ASN 37 Cb 0.00 -0.65 -0.13 0.00 -2.36 0.00 0.00 39.78 36.64 2buz n ASN 37 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2buz s ASN 38 N -0.73 5.06 0.00 0.53 3.04 -1.26 -1.68 114.94 119.90 2buz s ASN 38 Ca 0.49 -1.38 0.25 0.00 0.04 0.00 0.00 52.86 52.26 2buz s ASN 38 Cb 0.37 -1.77 0.40 0.00 -1.54 0.00 0.00 41.25 38.70 2buz s ASN 38 CO 0.16 -0.33 1.34 0.18 -3.04 0.00 0.00 177.10 175.41 2buz n LEU 39 N 4.66 1.43 -4.61 3.21 4.32 0.17 -4.86 117.00 121.32 2buz n LEU 39 Ca -0.11 -0.47 -0.40 0.00 -0.02 0.00 0.00 56.01 55.01 2buz n LEU 39 Cb 0.43 -0.07 -0.08 0.00 -1.62 0.00 0.00 43.42 42.08 2buz n LEU 39 CO 0.29 0.27 0.19 -0.69 -1.22 0.00 0.00 177.39 176.23 2buz s VAL 40 N -2.52 5.10 0.39 4.08 1.01 -1.25 -4.62 120.40 122.59 2buz s VAL 40 Ca 0.21 0.78 0.07 0.00 0.00 0.00 0.00 61.98 63.05 2buz s VAL 40 Cb 0.19 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2buz s VAL 40 CO 0.56 0.11 0.50 -1.10 0.00 0.00 0.00 175.10 175.17 2buz s GLN 41 N 2.22 2.90 0.53 2.72 -0.21 -1.26 -5.00 119.66 121.55 2buz s GLN 41 Ca 0.19 -1.19 0.21 0.00 0.02 0.00 0.00 55.36 54.60 2buz s GLN 41 Cb -0.16 -2.73 1.41 0.00 1.00 0.00 0.00 33.01 32.53 2buz s GLN 41 CO 0.09 -0.13 2.14 -0.44 -2.12 0.00 0.00 175.29 174.83 2buz h ASP 42 N 0.79 0.00 -0.54 5.90 3.32 -1.97 -2.29 116.42 121.63 2buz h ASP 42 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2buz h ASP 42 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2buz h ASP 42 CO 0.49 0.06 0.00 0.59 -1.72 0.00 0.00 179.24 178.66 2buz n ASN 43 N -4.15 3.50 -4.74 6.45 4.13 -1.26 -4.98 115.26 114.20 2buz n ASN 43 Ca -0.03 -1.98 -0.41 0.00 1.68 0.00 0.00 54.58 53.84 2buz n ASN 43 Cb 0.14 -0.36 -0.02 0.00 -1.54 0.00 0.00 39.78 38.00 2buz n ASN 43 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2buz s THR 44 N -1.07 2.60 0.34 3.41 2.01 -0.86 -4.86 115.64 117.21 2buz s THR 44 Ca 0.38 0.50 -0.11 0.00 0.31 0.00 0.00 61.69 62.77 2buz s THR 44 Cb 0.20 -3.32 -0.07 0.00 0.01 0.00 0.00 72.50 69.32 2buz s THR 44 CO 0.27 0.08 0.71 -1.10 -0.69 0.00 0.00 174.62 173.89 2buz s GLN 45 N -0.32 3.85 0.00 4.92 -0.21 -1.26 -4.92 119.66 121.72 2buz s GLN 45 Ca 0.60 0.48 0.00 0.00 0.02 0.00 0.00 55.36 56.46 2buz s GLN 45 Cb -0.43 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.13 2buz s GLN 45 CO 0.43 0.10 0.00 0.41 -2.12 0.00 0.00 175.29 174.11 2buz n GLY 46 N -0.78 2.31 3.69 3.09 0.00 -1.26 -4.47 105.19 107.76 2buz n GLY 46 Ca 0.02 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.51 2buz n GLY 46 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2buz s GLN 47 N -2.00 4.37 0.25 1.61 -2.07 -1.26 -4.95 119.66 115.61 2buz s GLN 47 Ca 0.00 1.05 -0.30 0.00 -1.82 0.00 0.00 55.36 54.29 2buz s GLN 47 Cb 0.00 -3.53 -0.10 0.00 -1.09 0.00 0.00 33.01 28.29 2buz s GLN 47 CO 0.00 -0.20 1.39 1.03 -1.32 0.00 0.00 175.29 176.18 2buz s ARG 48 N 1.70 4.31 0.05 9.60 3.00 -1.26 -1.63 118.95 134.71 2buz s ARG 48 Ca 0.40 2.23 -0.04 0.00 0.00 0.00 0.00 55.73 58.32 2buz s ARG 48 Cb -0.17 -3.12 -0.02 0.00 0.00 0.00 0.00 34.95 31.64 2buz s ARG 48 CO 0.16 -0.34 0.06 0.96 0.00 0.00 0.00 175.30 176.14 2buz s ILE 49 N -0.20 0.16 -0.12 1.52 -4.36 -0.11 -4.50 121.20 113.59 2buz s ILE 49 Ca 0.57 -1.28 0.00 0.00 -0.26 0.00 0.00 60.65 59.68 2buz s ILE 49 Cb -0.40 -1.07 -0.02 0.00 1.25 0.00 0.00 42.46 42.23 2buz s ILE 49 CO 0.44 -0.71 -0.13 -0.60 0.24 0.00 0.00 174.94 174.18 2buz s ARG 50 N -3.03 3.26 -0.19 0.37 3.52 0.05 -1.83 118.95 121.11 2buz s ARG 50 Ca -0.01 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 54.86 2buz s ARG 50 Cb 0.01 -2.59 -0.02 0.00 -1.56 0.00 0.00 34.95 30.79 2buz s ARG 50 CO -0.07 0.27 -0.04 -1.17 -0.81 0.00 0.00 175.30 173.49 2buz s LEU 51 N 0.20 3.06 0.14 -0.88 2.96 -0.47 -0.06 118.68 123.64 2buz s LEU 51 Ca -0.08 -0.27 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 2buz s LEU 51 Cb -0.15 -1.76 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 2buz s LEU 51 CO 0.05 0.07 0.28 -1.83 -1.32 0.00 0.00 176.35 173.60 2buz s GLU 52 N 0.97 1.08 0.00 1.98 -1.05 -0.67 -1.09 118.70 119.92 2buz s GLU 52 Ca 0.00 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.76 2buz s GLU 52 Cb -0.15 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 2buz s GLU 52 CO 0.01 -0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2buz n GLY 53 N -0.18 -0.83 3.12 -3.83 0.00 -0.99 -0.05 105.19 102.44 2buz n GLY 53 Ca -0.10 -0.83 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 2buz n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2buz s GLN 54 N -0.63 0.73 -0.13 1.61 -0.21 -1.26 -1.33 119.66 118.44 2buz s GLN 54 Ca 0.00 -1.29 0.01 0.00 0.02 0.00 0.00 55.36 54.10 2buz s GLN 54 Cb 0.00 0.09 -0.01 0.00 1.00 0.00 0.00 33.01 34.09 2buz s GLN 54 CO 0.00 -0.11 -0.15 0.08 -2.12 0.00 0.00 175.29 172.99 2buz s VAL 55 N -3.85 2.83 0.04 1.09 1.01 -1.26 -1.04 120.40 119.22 2buz s VAL 55 Ca 0.11 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.41 2buz s VAL 55 Cb 0.07 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2buz s VAL 55 CO -0.07 0.53 -0.12 -0.36 0.00 0.00 0.00 175.10 175.08 2buz s PHE 56 N 0.42 2.71 0.39 5.22 0.40 -0.20 -0.29 117.98 126.63 2buz s PHE 56 Ca -0.11 -0.16 -0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2buz s PHE 56 Cb -0.16 -1.52 0.08 0.00 0.51 0.00 0.00 43.02 41.93 2buz s PHE 56 CO 0.05 0.32 0.53 -0.40 0.70 0.00 0.00 175.22 176.43 2buz n ASP 57 N 1.43 0.51 0.16 1.36 5.68 0.39 -2.06 116.55 124.02 2buz n ASP 57 Ca -0.15 -1.48 0.12 0.00 -0.50 0.00 0.00 54.79 52.77 2buz n ASP 57 Cb 0.52 -0.36 0.58 0.00 -1.14 0.00 0.00 41.12 40.72 2buz n ASP 57 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2buz n GLY 58 N 1.09 -1.00 0.76 6.12 0.00 -1.26 -1.45 105.19 109.46 2buz n GLY 58 Ca 0.08 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.36 2buz n GLY 58 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2buz n LEU 59 N -2.29 2.71 0.00 0.99 4.77 -1.26 -4.86 117.00 117.07 2buz n LEU 59 Ca -0.00 -1.32 0.00 0.00 -0.03 0.00 0.00 56.01 54.65 2buz n LEU 59 Cb 0.09 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2buz n LEU 59 CO 0.13 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 2buz n GLY 60 N 0.97 0.77 3.75 -0.72 0.00 -0.52 -5.04 105.19 104.39 2buz n GLY 60 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 2buz n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2buz s LEU 61 N 0.00 4.43 0.36 0.99 2.96 -1.26 -4.75 118.68 121.41 2buz s LEU 61 Ca 0.00 1.30 -0.26 0.00 -0.22 0.00 0.00 54.13 54.95 2buz s LEU 61 Cb 0.00 -3.08 -0.09 0.00 0.50 0.00 0.00 46.19 43.52 2buz s LEU 61 CO 0.00 0.05 1.09 -2.16 -1.32 0.00 0.00 176.35 174.01 2buz s PRO 62 N -0.10 4.28 -0.12 0.98 0.04 -1.26 -0.46 135.00 138.35 2buz s PRO 62 Ca 0.35 1.66 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 2buz s PRO 62 Cb -0.19 -2.76 -0.01 0.00 0.04 0.00 0.00 34.50 31.58 2buz s PRO 62 CO 0.20 -0.08 0.94 -0.51 0.04 0.00 0.00 177.00 177.59 2buz s LEU 63 N -2.27 4.23 0.00 -3.56 1.02 0.60 -4.89 118.68 113.81 2buz s LEU 63 Ca 0.54 1.41 0.20 0.00 0.02 0.00 0.00 54.13 56.29 2buz s LEU 63 Cb -0.27 -3.43 0.31 0.00 0.02 0.00 0.00 46.19 42.82 2buz s LEU 63 CO 0.34 -0.42 1.26 0.54 0.02 0.00 0.00 176.35 178.09 2buz n ARG 64 N 5.01 2.17 -0.25 1.70 1.74 -1.26 -4.23 116.66 121.54 2buz n ARG 64 Ca 0.07 -2.01 0.08 0.00 -0.77 0.00 0.00 57.85 55.22 2buz n ARG 64 Cb 0.49 -1.42 0.18 0.00 -1.02 0.00 0.00 32.46 30.69 2buz n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2buz n ASP 65 N 1.21 3.08 -4.80 0.55 5.68 -1.26 -4.59 116.55 116.41 2buz n ASP 65 Ca 0.15 -2.86 -0.35 0.00 -0.50 0.00 0.00 54.79 51.23 2buz n ASP 65 Cb 0.53 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 40.01 2buz n ASP 65 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2buz s VAL 66 N -2.52 4.33 -0.11 2.12 0.11 -1.26 -4.64 120.40 118.43 2buz s VAL 66 Ca 0.33 1.61 0.03 0.00 -2.93 0.00 0.00 61.98 61.02 2buz s VAL 66 Cb 0.27 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2buz s VAL 66 CO 0.07 -0.11 -0.22 -0.22 -3.33 0.00 0.00 175.10 171.29 2buz s LEU 67 N -2.67 2.17 -0.02 2.54 2.96 -0.03 -3.20 118.68 120.43 2buz s LEU 67 Ca 0.56 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.98 2buz s LEU 67 Cb -0.13 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 2buz s LEU 67 CO 0.18 0.14 -0.18 -0.63 -1.32 0.00 0.00 176.35 174.54 2buz s ILE 68 N 0.45 1.46 0.11 6.68 1.01 0.20 -1.08 121.20 130.03 2buz s ILE 68 Ca -0.15 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 59.79 2buz s ILE 68 Cb -0.17 -1.23 -0.03 0.00 0.01 0.00 0.00 42.46 41.04 2buz s ILE 68 CO 0.06 0.42 -0.16 -1.61 0.00 0.00 0.00 174.94 173.65 2buz s GLU 69 N -0.29 1.01 0.13 2.79 2.02 -0.75 -0.82 118.70 122.79 2buz s GLU 69 Ca 0.04 -1.15 0.06 0.00 0.02 0.00 0.00 54.97 53.94 2buz s GLU 69 Cb -0.09 -1.03 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 2buz s GLU 69 CO 0.00 0.22 -0.15 0.96 0.02 0.00 0.00 175.26 176.31 2buz s ILE 70 N -1.65 1.42 -0.03 -1.63 -4.36 -0.99 -1.11 121.20 112.86 2buz s ILE 70 Ca 0.06 -1.74 -0.00 0.00 -0.26 0.00 0.00 60.65 58.70 2buz s ILE 70 Cb -0.08 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 42.08 2buz s ILE 70 CO 0.03 -0.39 0.03 0.86 0.24 0.00 0.00 174.94 175.72 2buz s TRP 71 N -2.09 0.15 0.22 1.37 -0.00 0.62 -2.78 118.94 116.42 2buz s TRP 71 Ca 0.10 0.11 -0.15 0.00 -0.00 0.00 0.00 56.10 56.16 2buz s TRP 71 Cb -0.05 -0.37 0.01 0.00 -0.00 0.00 0.00 33.47 33.05 2buz s TRP 71 CO 0.04 -0.14 0.48 1.14 -0.00 0.00 0.00 176.95 178.47 2buz s GLN 72 N 1.38 1.43 0.65 5.86 -2.07 -0.47 -0.86 119.66 125.59 2buz s GLN 72 Ca -0.05 -1.07 -0.07 0.00 -1.82 0.00 0.00 55.36 52.35 2buz s GLN 72 Cb -0.13 0.48 0.03 0.00 -1.09 0.00 0.00 33.01 32.31 2buz s GLN 72 CO -0.03 -0.60 0.97 0.00 -1.32 0.00 0.00 175.29 174.32 2buz s ALA 73 N -3.95 3.19 1.00 2.60 0.00 -1.26 -4.60 121.76 118.74 2buz s ALA 73 Ca 0.16 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2buz s ALA 73 Cb -0.01 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 2buz s ALA 73 CO 0.03 -1.06 0.00 -0.40 0.00 0.00 0.00 175.76 174.33 2buz n ASP 74 N -2.78 -0.03 0.29 0.00 5.75 0.53 -4.53 116.55 115.78 2buz n ASP 74 Ca 0.06 -0.70 0.16 0.00 -0.01 0.00 0.00 54.79 54.31 2buz n ASP 74 Cb 0.59 0.00 0.90 0.00 -1.03 0.00 0.00 41.12 41.58 2buz n ASP 74 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2buz h THR 75 N -0.74 0.35 -0.70 2.12 1.03 -1.81 -1.19 112.91 111.96 2buz h THR 75 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 66.41 66.14 2buz h THR 75 Cb 0.00 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.27 2buz h THR 75 CO 0.00 0.05 0.00 0.59 -0.01 0.00 0.00 175.52 176.15 2buz n ASN 76 N -3.49 3.89 -0.17 0.00 3.02 -1.26 -3.17 115.26 114.07 2buz n ASN 76 Ca -0.02 -2.00 -0.02 0.00 -0.03 0.00 0.00 54.58 52.51 2buz n ASN 76 Cb 0.16 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 38.86 2buz n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2buz n GLY 77 N 1.55 0.33 3.41 7.41 0.00 -0.69 -4.72 105.19 112.48 2buz n GLY 77 Ca 0.24 -0.85 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 2buz n GLY 77 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2buz s VAL 78 N -2.08 3.03 0.09 1.61 1.01 -1.26 -4.57 120.40 118.22 2buz s VAL 78 Ca 0.00 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.04 2buz s VAL 78 Cb 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 36.38 34.08 2buz s VAL 78 CO 0.00 0.55 0.75 -0.31 0.00 0.00 0.00 175.10 176.09 2buz s TYR 79 N -0.08 3.80 -1.46 5.22 1.51 -1.26 -0.34 117.35 124.73 2buz s TYR 79 Ca -0.02 1.51 -0.13 0.00 -1.01 0.00 0.00 57.07 57.41 2buz s TYR 79 Cb -0.14 -2.77 0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2buz s TYR 79 CO 0.04 0.38 2.26 -0.35 -1.11 0.00 0.00 175.55 176.76 2buz n PRO 80 N 2.32 2.98 -3.77 -1.71 -0.04 -1.26 -4.74 135.00 128.77 2buz n PRO 80 Ca -0.04 -2.65 -0.13 0.00 -0.04 0.00 0.00 63.50 60.64 2buz n PRO 80 Cb 0.50 -3.22 -0.11 0.00 -0.04 0.00 0.00 33.50 30.62 2buz n PRO 80 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2buz s SER 81 N 2.93 -0.29 0.56 3.54 0.15 -1.26 -4.96 113.70 114.37 2buz s SER 81 Ca 0.48 0.55 0.38 0.00 0.70 0.00 0.00 55.95 58.05 2buz s SER 81 Cb 0.14 0.58 2.01 0.00 -1.71 0.00 0.00 66.02 67.04 2buz s SER 81 CO -0.08 -0.13 2.15 1.56 1.20 0.00 0.00 173.24 177.94 2buz h GLN 82 N 5.56 0.00 -0.00 5.44 4.20 -2.06 -1.31 115.11 126.93 2buz h GLN 82 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2buz h GLN 82 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2buz h GLN 82 CO 0.33 0.00 -0.06 0.00 -0.67 0.00 0.00 178.83 178.42 2buz n ALA 83 N -1.99 2.66 -2.56 3.87 0.00 -1.26 -4.78 120.51 116.45 2buz n ALA 83 Ca -0.02 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 2buz n ALA 83 Cb 0.08 -1.40 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 2buz n ALA 83 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2buz s ASP 84 N -2.47 7.15 -0.23 0.00 2.15 -0.50 -4.92 116.67 117.86 2buz s ASP 84 Ca 0.30 1.72 0.14 0.00 0.43 0.00 0.00 52.55 55.14 2buz s ASP 84 Cb 0.20 -2.56 0.60 0.00 -0.30 0.00 0.00 42.92 40.86 2buz s ASP 84 CO 0.46 -0.50 1.53 0.35 -0.17 0.00 0.00 175.17 176.85 2buz n THR 85 N 4.47 2.49 0.38 1.71 -2.24 -1.26 -4.58 114.28 115.25 2buz n THR 85 Ca 0.10 -1.91 0.14 0.00 -2.27 0.00 0.00 64.05 60.10 2buz n THR 85 Cb 0.48 -0.29 0.47 0.00 -2.10 0.00 0.00 70.33 68.89 2buz n THR 85 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2buz h GLN 86 N 2.08 0.00 -0.38 -0.78 4.20 -1.99 -3.46 115.11 114.78 2buz h GLN 86 Ca 0.07 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.62 2buz h GLN 86 Cb 1.69 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.40 2buz h GLN 86 CO 0.36 0.00 -0.15 0.41 -0.67 0.00 0.00 178.83 178.78 2buz n GLY 87 N 0.49 0.99 3.65 3.46 0.00 -1.26 -4.99 105.19 107.53 2buz n GLY 87 Ca 0.03 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.21 2buz n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2buz s LYS 88 N -2.56 2.37 0.13 1.61 1.02 -1.26 -5.09 119.74 115.95 2buz s LYS 88 Ca 0.00 -1.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.68 2buz s LYS 88 Cb 0.00 -2.39 -0.07 0.00 -0.52 0.00 0.00 37.83 34.85 2buz s LYS 88 CO 0.00 0.49 0.92 -1.14 -0.92 0.00 0.00 175.35 174.70 2buz s GLN 88 N -2.60 4.70 0.40 1.68 0.74 -1.26 -5.04 119.66 118.28 2buz s GLN 88 Ca 0.25 1.38 -0.05 0.00 0.05 0.00 0.00 55.36 57.00 2buz s GLN 88 Cb -0.10 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.62 2buz s GLN 88 CO 0.17 0.31 0.69 0.54 -0.55 0.00 0.00 175.29 176.46 2buz s VAL 88 N -0.34 4.94 -0.00 1.34 0.11 -1.26 -4.97 120.40 120.22 2buz s VAL 88 Ca 0.44 0.14 -0.32 0.00 -2.93 0.00 0.00 61.98 59.31 2buz s VAL 88 Cb -0.23 -3.81 -0.10 0.00 -1.53 0.00 0.00 36.38 30.70 2buz s VAL 88 CO 0.29 -0.63 1.92 -0.67 -3.33 0.00 0.00 175.10 172.69 2buz n ASP 88 N -1.71 3.88 0.00 3.54 -0.08 -1.26 -4.85 116.55 116.06 2buz n ASP 88 Ca -0.00 0.94 0.09 0.00 -1.51 0.00 0.00 54.79 54.31 2buz n ASP 88 Cb 0.55 -1.47 0.49 0.00 2.34 0.00 0.00 41.12 43.03 2buz n ASP 88 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2buz n PRO 88 N 6.99 0.29 -2.40 -0.67 -0.04 -1.26 -3.50 135.00 134.41 2buz n PRO 88 Ca 0.21 0.10 -0.29 0.00 -0.04 0.00 0.00 63.50 63.47 2buz n PRO 88 Cb 0.36 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.33 2buz n PRO 88 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2buz n ASN 88 N -1.27 5.21 -3.58 3.54 3.02 -1.26 -4.95 115.26 115.97 2buz n ASN 88 Ca 0.09 -3.74 -0.07 0.00 -0.03 0.00 0.00 54.58 50.83 2buz n ASN 88 Cb 0.15 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.66 2buz n ASN 88 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2buz s PHE 89 N -3.64 -0.90 0.09 3.10 5.36 -1.23 -4.28 117.98 116.49 2buz s PHE 89 Ca 0.49 1.49 0.08 0.00 -0.96 0.00 0.00 56.93 58.02 2buz s PHE 89 Cb 0.40 0.32 -0.21 0.00 -0.34 0.00 0.00 43.02 43.19 2buz s PHE 89 CO -0.23 -0.56 1.21 1.25 -1.46 0.00 0.00 175.22 175.43 2buz h LEU 90 N 8.15 0.00 0.00 6.12 5.85 -1.91 -3.44 115.31 130.08 2buz h LEU 90 Ca -0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2buz h LEU 90 Cb 1.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.15 2buz h LEU 90 CO 0.15 0.99 0.00 0.61 -0.34 0.00 0.00 178.44 179.85 2buz n GLY 91 N 1.37 0.92 3.10 3.75 0.00 -1.26 -4.77 105.19 108.30 2buz n GLY 91 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 2buz n GLY 91 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2buz s TRP 92 N -3.36 0.81 0.30 1.61 -0.00 -1.26 -1.36 118.94 115.69 2buz s TRP 92 Ca 0.00 -0.56 -0.16 0.00 -0.00 0.00 0.00 56.10 55.37 2buz s TRP 92 Cb 0.00 -0.47 0.02 0.00 -0.00 0.00 0.00 33.47 33.02 2buz s TRP 92 CO 0.00 -0.06 0.66 0.20 -0.00 0.00 0.00 176.95 177.75 2buz s GLY 93 N -1.88 0.31 -0.02 5.86 0.00 -1.12 -4.81 107.32 105.67 2buz s GLY 93 Ca -0.04 -0.66 -0.06 0.00 0.00 0.00 0.00 44.72 43.95 2buz s GLY 93 CO -0.00 -0.35 0.13 -1.60 0.00 0.00 0.00 173.10 171.28 2buz s ARG 94 N -3.46 0.35 0.18 2.90 3.52 -0.76 -2.35 118.95 119.33 2buz s ARG 94 Ca 0.17 -0.18 -0.17 0.00 -0.13 0.00 0.00 55.73 55.42 2buz s ARG 94 Cb -0.04 0.15 0.03 0.00 -1.56 0.00 0.00 34.95 33.53 2buz s ARG 94 CO 0.10 -0.07 0.48 -0.08 -0.81 0.00 0.00 175.30 174.91 2buz s THR 95 N -0.82 0.04 0.39 4.11 -1.32 0.00 -2.13 115.64 115.91 2buz s THR 95 Ca -0.09 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.68 2buz s THR 95 Cb -0.05 -1.50 -0.07 0.00 -1.51 0.00 0.00 72.50 69.36 2buz s THR 95 CO 0.01 -0.17 0.02 -0.83 -2.21 0.00 0.00 174.62 171.44 2buz s GLY 96 N -2.86 2.42 0.40 6.08 0.00 -1.26 -0.63 107.32 111.47 2buz s GLY 96 Ca 0.08 -2.14 -0.15 0.00 0.00 0.00 0.00 44.72 42.52 2buz s GLY 96 CO -0.05 -2.03 0.82 0.00 0.00 0.00 0.00 173.10 171.85 2buz s ALA 97 N -2.88 3.24 0.16 3.20 0.00 -1.19 -4.64 121.76 119.66 2buz s ALA 97 Ca 0.34 0.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.03 2buz s ALA 97 Cb 0.09 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 2buz s ALA 97 CO 0.17 0.09 1.48 0.34 0.00 0.00 0.00 175.76 177.83 2buz s ASP 98 N -2.69 6.69 0.60 0.00 2.15 0.21 -4.84 116.67 118.79 2buz s ASP 98 Ca 0.55 2.51 0.30 0.00 0.43 0.00 0.00 52.55 56.34 2buz s ASP 98 Cb -0.10 -2.60 1.68 0.00 -0.30 0.00 0.00 42.92 41.60 2buz s ASP 98 CO 0.24 -0.74 2.09 -0.26 -0.17 0.00 0.00 175.17 176.33 2buz h PHE 99 N 6.50 0.00 0.00 -5.34 0.05 -1.92 0.16 116.94 116.38 2buz h PHE 99 Ca -0.43 0.00 -0.02 0.00 3.82 0.00 0.00 57.97 61.34 2buz h PHE 99 Cb 1.21 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 39.15 2buz h PHE 99 CO 0.64 0.00 -0.63 0.41 -0.18 0.00 0.00 178.31 178.55 2buz n GLY 100 N -1.38 -0.91 0.12 -1.45 0.00 -1.26 -4.68 105.19 95.62 2buz n GLY 100 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 2buz n GLY 100 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2buz h THR 101 N -1.00 1.48 0.00 2.61 1.35 -1.95 -3.48 112.91 111.92 2buz h THR 101 Ca -0.04 -2.91 0.00 0.00 -0.55 0.00 0.00 66.41 62.92 2buz h THR 101 Cb 0.63 2.80 0.00 0.00 -1.73 0.00 0.00 68.15 69.84 2buz h THR 101 CO -0.02 0.85 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 2buz n GLY 102 N 1.36 0.72 3.76 5.82 0.00 0.55 -4.96 105.19 112.43 2buz n GLY 102 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2buz n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2buz s PHE 103 N -2.63 3.68 0.25 1.61 0.40 -1.26 -4.44 117.98 115.59 2buz s PHE 103 Ca 0.00 1.78 0.10 0.00 -0.60 0.00 0.00 56.93 58.21 2buz s PHE 103 Cb 0.00 -3.10 -0.05 0.00 0.51 0.00 0.00 43.02 40.38 2buz s PHE 103 CO 0.00 -0.11 -0.18 1.67 0.70 0.00 0.00 175.22 177.31 2buz s TRP 104 N -1.32 2.07 0.19 0.36 1.48 -0.44 -0.62 118.94 120.66 2buz s TRP 104 Ca 0.46 -0.42 -0.23 0.00 -1.06 0.00 0.00 56.10 54.85 2buz s TRP 104 Cb -0.26 -0.92 0.06 0.00 -1.16 0.00 0.00 33.47 31.18 2buz s TRP 104 CO 0.33 0.58 0.63 -1.54 -4.06 0.00 0.00 176.95 172.89 2buz s SER 105 N -3.44 -0.50 0.02 -2.66 1.04 -1.26 -2.35 113.70 104.56 2buz s SER 105 Ca 0.27 -0.14 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 2buz s SER 105 Cb -0.03 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.69 2buz s SER 105 CO 0.12 -1.05 -0.03 -0.36 0.98 0.00 0.00 173.24 172.90 2buz s PHE 106 N -3.79 0.30 -0.25 5.02 0.40 -0.25 -4.86 117.98 114.55 2buz s PHE 106 Ca 0.03 -0.61 -0.06 0.00 -0.60 0.00 0.00 56.93 55.69 2buz s PHE 106 Cb -0.02 -0.22 -0.01 0.00 0.51 0.00 0.00 43.02 43.28 2buz s PHE 106 CO -0.09 -0.22 0.03 -0.80 0.70 0.00 0.00 175.22 174.84 2buz s ASN 107 N -1.68 4.81 0.00 1.36 0.01 -0.68 -1.37 114.94 117.39 2buz s ASN 107 Ca -0.13 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.62 2buz s ASN 107 Cb -0.07 -1.84 0.00 0.00 0.41 0.00 0.00 41.25 39.75 2buz s ASN 107 CO -0.02 -0.07 0.00 1.07 -1.51 0.00 0.00 177.10 176.57 2buz n THR 108 N 4.86 0.00 -4.37 1.60 5.66 -0.76 -0.66 114.28 120.61 2buz n THR 108 Ca -0.17 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.64 2buz n THR 108 Cb 0.50 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 2buz n THR 108 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2buz s ILE 109 N -2.11 1.75 -0.17 1.09 -0.00 -1.26 -0.94 121.20 119.56 2buz s ILE 109 Ca 0.00 -2.20 -0.29 0.00 -0.00 0.00 0.00 60.65 58.16 2buz s ILE 109 Cb 0.00 -2.17 -0.02 0.00 -0.00 0.00 0.00 42.46 40.27 2buz s ILE 109 CO 0.00 -0.50 1.35 -0.75 -0.00 0.00 0.00 174.94 175.04 2buz s LYS 110 N -3.66 4.16 0.56 0.37 2.20 -0.65 -4.86 119.74 117.86 2buz s LYS 110 Ca 0.25 1.70 -0.18 0.00 -0.36 0.00 0.00 55.97 57.38 2buz s LYS 110 Cb 0.00 -3.83 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 2buz s LYS 110 CO 0.09 -0.81 1.10 -1.25 -0.36 0.00 0.00 175.35 174.11 2buz s PRO 111 N 3.74 3.34 0.71 4.03 0.04 -1.26 -4.58 135.00 141.02 2buz s PRO 111 Ca 0.59 1.48 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 2buz s PRO 111 Cb -0.23 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2buz s PRO 111 CO 0.19 -0.83 1.06 0.20 0.04 0.00 0.00 177.00 177.66 2buz s GLY 112 N -2.07 1.63 0.36 0.56 0.00 -0.54 -4.72 107.32 102.55 2buz s GLY 112 Ca 0.70 -0.69 -0.26 0.00 0.00 0.00 0.00 44.72 44.47 2buz s GLY 112 CO 0.29 -0.29 1.16 0.00 0.00 0.00 0.00 173.10 174.26 2buz s ALA 113 N -3.32 3.24 0.00 3.20 0.00 -1.26 -4.03 121.76 119.60 2buz s ALA 113 Ca 0.59 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.57 2buz s ALA 113 Cb -0.11 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 2buz s ALA 113 CO 0.47 -0.43 -0.18 0.08 0.00 0.00 0.00 175.76 175.71 2buz s VAL 114 N -1.35 2.79 0.51 0.00 1.01 -1.24 -4.28 120.40 117.84 2buz s VAL 114 Ca 0.53 -1.01 -0.22 0.00 0.00 0.00 0.00 61.98 61.28 2buz s VAL 114 Cb -0.31 -2.12 -0.07 0.00 0.00 0.00 0.00 36.38 33.88 2buz s VAL 114 CO 0.40 0.46 1.14 -2.65 0.00 0.00 0.00 175.10 174.45 2buz n PRO 115 N 1.93 1.42 -1.29 2.72 -0.02 -1.26 -0.45 135.00 138.05 2buz n PRO 115 Ca -0.16 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 61.83 2buz n PRO 115 Cb 0.52 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2buz n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2buz n GLY 116 N 1.02 2.44 3.82 -1.23 0.00 0.65 -4.57 105.19 107.33 2buz n GLY 116 Ca 0.10 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2buz n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2buz s ARG 117 N -2.07 3.40 -1.41 1.61 0.52 -1.26 -3.97 118.95 115.77 2buz s ARG 117 Ca 0.01 1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 56.22 2buz s ARG 117 Cb -0.00 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.42 2buz s ARG 117 CO 0.01 -0.73 0.36 1.63 0.02 0.00 0.00 175.30 176.59 2buz n LYS 118 N -2.30 -2.44 -0.95 3.54 5.02 -1.26 -1.73 118.16 118.03 2buz n LYS 118 Ca 0.08 0.32 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 2buz n LYS 118 Cb 0.53 -4.18 0.00 0.00 -0.02 0.00 0.00 35.03 31.37 2buz n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2buz n GLY 119 N -2.11 0.39 3.92 0.72 0.00 -1.26 -5.02 105.19 101.84 2buz n GLY 119 Ca -0.29 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.46 2buz n GLY 119 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2buz s SER 120 N -2.17 4.58 -0.09 1.61 1.04 -0.71 -4.89 113.70 113.09 2buz s SER 120 Ca 0.00 0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.99 2buz s SER 120 Cb 0.00 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 65.05 2buz s SER 120 CO 0.00 -1.78 -0.21 -0.89 0.98 0.00 0.00 173.24 171.34 2buz s THR 121 N -3.39 1.82 0.28 2.02 2.01 -1.26 -0.25 115.64 116.86 2buz s THR 121 Ca 0.62 -0.88 -0.11 0.00 0.31 0.00 0.00 61.69 61.63 2buz s THR 121 Cb -0.10 -1.58 -0.07 0.00 0.01 0.00 0.00 72.50 70.75 2buz s THR 121 CO 0.47 0.51 0.63 -1.10 -0.69 0.00 0.00 174.62 174.43 2buz s GLN 122 N 0.39 3.84 0.71 4.92 -0.21 0.40 -4.61 119.66 125.10 2buz s GLN 122 Ca -0.17 0.38 -0.12 0.00 0.02 0.00 0.00 55.36 55.47 2buz s GLN 122 Cb -0.17 -2.55 0.02 0.00 1.00 0.00 0.00 33.01 31.31 2buz s GLN 122 CO 0.07 0.22 1.08 0.00 -2.12 0.00 0.00 175.29 174.54 2buz s ALA 123 N -1.96 2.47 0.32 6.09 0.00 -1.26 -3.73 121.76 123.68 2buz s ALA 123 Ca 0.49 0.29 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 2buz s ALA 123 Cb -0.11 -3.25 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 2buz s ALA 123 CO 0.22 -1.42 1.42 -2.30 0.00 0.00 0.00 175.76 173.69 2buz n PRO 124 N -3.02 2.35 -3.49 0.00 -0.02 -1.26 -4.71 135.00 124.85 2buz n PRO 124 Ca 0.09 0.83 -0.12 0.00 -2.02 0.00 0.00 63.50 62.28 2buz n PRO 124 Cb 0.53 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 2buz n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 2buz s HIS 125 N -0.64 -0.46 -0.09 6.00 -3.43 -1.26 -4.37 115.29 111.05 2buz s HIS 125 Ca 0.60 0.29 0.04 0.00 -0.80 0.00 0.00 55.06 55.18 2buz s HIS 125 Cb -0.55 0.46 -0.01 0.00 -1.43 0.00 0.00 32.58 31.05 2buz s HIS 125 CO 0.57 -0.78 -0.22 0.42 -2.00 0.00 0.00 174.74 172.73 2buz s ILE 126 N -3.48 2.29 -0.01 -5.38 1.01 -0.47 -4.69 121.20 110.47 2buz s ILE 126 Ca 0.00 -0.95 -0.23 0.00 0.00 0.00 0.00 60.65 59.47 2buz s ILE 126 Cb -0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.54 2buz s ILE 126 CO -0.10 0.56 0.68 -0.44 0.00 0.00 0.00 174.94 175.63 2buz s SER 127 N 0.11 7.05 0.01 3.58 0.01 -0.04 -1.37 113.70 123.05 2buz s SER 127 Ca -0.11 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.45 2buz s SER 127 Cb -0.16 -2.41 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 2buz s SER 127 CO 0.06 0.01 -0.12 -0.22 0.41 0.00 0.00 173.24 173.38 2buz s LEU 128 N 0.14 2.07 0.03 2.44 0.20 -0.75 -0.28 118.68 122.54 2buz s LEU 128 Ca 0.35 -0.29 0.04 0.00 0.69 0.00 0.00 54.13 54.92 2buz s LEU 128 Cb -0.19 -0.58 -0.02 0.00 -0.43 0.00 0.00 46.19 44.98 2buz s LEU 128 CO 0.19 0.10 -0.11 -0.51 -0.29 0.00 0.00 176.35 175.73 2buz s ILE 129 N -0.48 0.87 -0.08 6.68 2.07 -0.27 -0.93 121.20 129.08 2buz s ILE 129 Ca 0.03 -0.90 0.05 0.00 -1.41 0.00 0.00 60.65 58.42 2buz s ILE 129 Cb -0.06 -0.81 -0.00 0.00 0.13 0.00 0.00 42.46 41.72 2buz s ILE 129 CO 0.00 -0.07 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.10 2buz s ILE 130 N -0.86 1.95 0.03 2.00 1.01 -0.29 -1.80 121.20 123.24 2buz s ILE 130 Ca -0.01 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.72 2buz s ILE 130 Cb -0.07 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 2buz s ILE 130 CO 0.01 0.54 -0.18 -0.36 0.00 0.00 0.00 174.94 174.95 2buz s PHE 131 N 0.14 1.56 -0.10 3.97 0.40 -0.24 -1.74 117.98 121.97 2buz s PHE 131 Ca -0.11 -0.35 -0.32 0.00 -0.60 0.00 0.00 56.93 55.54 2buz s PHE 131 Cb -0.16 -0.94 0.13 0.00 0.51 0.00 0.00 43.02 42.56 2buz s PHE 131 CO 0.06 0.05 1.18 0.00 0.70 0.00 0.00 175.22 177.21 2buz s ALA 132 N -0.72 -2.07 0.31 5.36 0.00 -1.26 -0.85 121.76 122.52 2buz s ALA 132 Ca 0.05 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 2buz s ALA 132 Cb -0.08 0.12 -0.13 0.00 0.00 0.00 0.00 23.12 23.03 2buz s ALA 132 CO 0.01 -0.77 1.09 1.58 0.00 0.00 0.00 175.76 177.67 2buz n HIS 133 N -0.25 1.55 0.00 0.00 -0.00 -1.23 -1.17 115.22 114.13 2buz n HIS 133 Ca -0.03 0.65 0.00 0.00 0.46 0.00 0.00 57.72 58.80 2buz n HIS 133 Cb 0.60 -2.30 0.00 0.00 -0.12 0.00 0.00 29.99 28.17 2buz n HIS 133 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2buz n GLY 134 N 1.09 2.72 3.43 1.57 0.00 -1.26 -4.95 105.19 107.79 2buz n GLY 134 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2buz n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2buz s ILE 135 N -2.06 4.80 0.05 -0.61 1.01 -0.32 -4.96 121.20 119.12 2buz s ILE 135 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 60.65 60.20 2buz s ILE 135 Cb 0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.88 2buz s ILE 135 CO 0.00 -0.11 1.46 0.78 0.00 0.00 0.00 174.94 177.08 2buz h ASN 136 N 8.44 0.00 -3.73 3.58 2.35 -1.90 -3.35 115.58 120.98 2buz h ASN 136 Ca -0.29 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.12 2buz h ASN 136 Cb 1.13 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.19 2buz h ASN 136 CO 0.65 0.66 -0.76 -0.63 -1.65 0.00 0.00 177.43 175.71 2buz s ILE 137 N -3.08 0.38 0.15 2.81 1.01 -1.26 -3.22 121.20 117.99 2buz s ILE 137 Ca 0.02 -0.14 -0.34 0.00 0.00 0.00 0.00 60.65 60.19 2buz s ILE 137 Cb 0.10 -0.37 -0.16 0.00 0.01 0.00 0.00 42.46 42.04 2buz s ILE 137 CO 0.76 0.14 1.26 0.61 0.00 0.00 0.00 174.94 177.71 2buz n GLY 138 N 3.40 0.31 3.68 6.18 0.00 -1.26 -4.93 105.19 112.57 2buz n GLY 138 Ca -0.18 0.58 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 2buz n GLY 138 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2buz s LEU 139 N 0.56 4.19 -0.13 0.99 1.43 -0.71 -4.87 118.68 120.15 2buz s LEU 139 Ca 0.76 0.63 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2buz s LEU 139 Cb -0.85 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.73 2buz s LEU 139 CO 0.50 -0.07 0.16 -1.00 0.23 0.00 0.00 176.35 176.16 2buz s HIS 140 N 1.17 3.56 0.30 0.29 3.76 -1.26 -1.13 115.29 121.98 2buz s HIS 140 Ca 0.22 0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 55.64 2buz s HIS 140 Cb -0.15 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.52 2buz s HIS 140 CO 0.09 0.62 0.41 -2.37 -0.85 0.00 0.00 174.74 172.64 2buz n THR 141 N 2.35 0.00 -4.11 1.30 5.66 -0.10 -0.66 114.28 118.71 2buz n THR 141 Ca -0.18 -1.60 -0.12 0.00 -3.05 0.00 0.00 64.05 59.10 2buz n THR 141 Cb 0.54 0.97 -0.11 0.00 -1.55 0.00 0.00 70.33 70.18 2buz n THR 141 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2buz s ARG 142 N -2.74 0.67 -0.17 1.09 0.52 -1.26 -1.82 118.95 115.24 2buz s ARG 142 Ca 0.26 -1.04 -0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2buz s ARG 142 Cb -0.01 -0.24 0.00 0.00 0.52 0.00 0.00 34.95 35.23 2buz s ARG 142 CO 0.19 0.01 -0.15 0.08 0.02 0.00 0.00 175.30 175.45 2buz s VAL 143 N -2.49 2.58 0.44 3.52 1.01 -0.47 -4.76 120.40 120.22 2buz s VAL 143 Ca 0.01 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.27 2buz s VAL 143 Cb -0.02 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 2buz s VAL 143 CO -0.02 0.51 0.28 -0.31 0.00 0.00 0.00 175.10 175.55 2buz s TYR 144 N 1.10 2.47 -0.10 5.22 1.51 0.64 -1.37 117.35 126.82 2buz s TYR 144 Ca 0.00 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.49 2buz s TYR 144 Cb -0.14 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 2buz s TYR 144 CO -0.05 -0.02 -0.20 -0.06 -1.11 0.00 0.00 175.55 174.11 2buz s PHE 145 N -2.59 2.63 -0.00 2.71 0.40 -1.26 -0.36 117.98 119.51 2buz s PHE 145 Ca 0.42 -0.79 0.30 0.00 -0.60 0.00 0.00 56.93 56.26 2buz s PHE 145 Cb 0.01 -1.73 1.47 0.00 0.51 0.00 0.00 43.02 43.27 2buz s PHE 145 CO 0.24 -0.27 1.92 0.38 0.70 0.00 0.00 175.22 178.18 2buz h ASP 146 N 6.50 0.00 -0.34 1.36 2.03 -1.67 -1.72 116.42 122.58 2buz h ASP 146 Ca -0.25 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.05 2buz h ASP 146 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2buz h ASP 146 CO 0.50 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.81 2buz n ASP 147 N -2.63 2.21 -2.21 4.15 3.85 -1.26 -3.77 116.55 116.90 2buz n ASP 147 Ca -0.00 -2.10 -0.25 0.00 -0.71 0.00 0.00 54.79 51.73 2buz n ASP 147 Cb 0.15 -0.32 0.01 0.00 -1.35 0.00 0.00 41.12 39.62 2buz n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2buz n GLU 148 N 0.49 3.50 -0.34 0.11 -0.58 -0.65 -4.85 120.64 118.34 2buz n GLU 148 Ca 0.12 -4.28 0.01 0.00 -0.42 0.00 0.00 57.16 52.59 2buz n GLU 148 Cb 0.39 -2.25 0.18 0.00 -0.57 0.00 0.00 31.44 29.19 2buz n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2buz h ALA 149 N 2.34 1.41 0.08 0.62 0.00 -1.76 0.21 119.26 122.16 2buz h ALA 149 Ca 0.33 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 2buz h ALA 149 Cb 1.30 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2buz h ALA 149 CO 0.78 0.49 -0.04 1.49 0.00 0.00 0.00 179.25 181.98 2buz h GLU 150 N 1.17 -0.10 -0.66 0.00 4.57 -1.93 -1.69 114.58 115.93 2buz h GLU 150 Ca 0.39 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.49 2buz h GLU 150 Cb 0.05 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2buz h GLU 150 CO -0.13 -0.04 0.09 0.00 -1.18 0.00 0.00 179.01 177.76 2buz h ALA 151 N 0.79 0.88 -0.58 2.92 0.00 -1.85 -3.10 119.26 118.31 2buz h ALA 151 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2buz h ALA 151 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2buz h ALA 151 CO 0.02 0.66 0.26 -0.91 0.00 0.00 0.00 179.25 179.28 2buz h ASN 152 N 1.02 0.74 0.59 0.00 2.35 -0.42 -1.62 115.58 118.24 2buz h ASN 152 Ca 0.20 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2buz h ASN 152 Cb 0.46 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2buz h ASN 152 CO 0.02 0.64 0.00 0.00 -1.65 0.00 0.00 177.43 176.44 2buz h ALA 153 N 1.47 1.00 -0.26 -0.83 0.00 -1.23 -2.30 119.26 117.12 2buz h ALA 153 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2buz h ALA 153 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2buz h ALA 153 CO -0.02 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.86 2buz n LYS 154 N -2.93 2.08 -2.25 0.00 5.02 -0.66 -4.93 118.16 114.49 2buz n LYS 154 Ca -0.01 -1.81 -0.42 0.00 -2.02 0.00 0.00 58.31 54.05 2buz n LYS 154 Cb 0.20 -1.29 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 2buz n LYS 154 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2buz s ASP 155 N -1.02 6.89 0.13 4.39 -1.08 -0.87 -4.86 116.67 120.25 2buz s ASP 155 Ca 0.22 2.17 -0.18 0.00 -0.52 0.00 0.00 52.55 54.24 2buz s ASP 155 Cb 0.13 -2.57 -0.04 0.00 -1.46 0.00 0.00 42.92 38.97 2buz s ASP 155 CO 0.17 -0.64 1.73 -0.65 0.52 0.00 0.00 175.17 176.31 2buz h PRO 156 N 7.19 0.41 -0.29 4.34 0.11 -1.90 -1.12 132.00 140.74 2buz h PRO 156 Ca -0.40 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2buz h PRO 156 Cb 1.20 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2buz h PRO 156 CO 0.87 0.34 0.06 0.28 -0.21 0.00 0.00 178.00 179.34 2buz h VAL 157 N 0.36 1.22 -0.77 3.15 2.07 -1.97 -1.73 116.25 118.59 2buz h VAL 157 Ca 0.10 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 66.85 2buz h VAL 157 Cb 0.05 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 2buz h VAL 157 CO -0.02 0.24 0.38 -0.07 0.02 0.00 0.00 177.57 178.13 2buz h LEU 158 N 0.29 0.99 -0.91 2.57 3.38 -1.88 -1.30 115.31 118.45 2buz h LEU 158 Ca 0.09 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2buz h LEU 158 Cb 0.31 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2buz h LEU 158 CO 0.00 0.83 0.00 0.78 0.09 0.00 0.00 178.44 180.14 2buz h ASN 159 N 1.09 0.00 0.30 -0.43 2.35 -0.93 -2.55 115.58 115.41 2buz h ASN 159 Ca 0.27 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2buz h ASN 159 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 2buz h ASN 159 CO -0.04 0.00 -0.02 -1.54 -1.65 0.00 0.00 177.43 174.19 2buz n SER 160 N -2.53 0.13 -4.55 5.81 3.41 -0.49 -4.59 113.62 110.82 2buz n SER 160 Ca 0.02 -0.59 -0.41 0.00 -0.26 0.00 0.00 58.87 57.63 2buz n SER 160 Cb 0.27 -0.13 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 2buz n SER 160 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2buz s ILE 161 N -2.32 5.05 -0.12 -1.33 1.01 -0.96 -4.96 121.20 117.58 2buz s ILE 161 Ca 0.36 0.20 0.30 0.00 0.00 0.00 0.00 60.65 61.52 2buz s ILE 161 Cb 0.21 -3.94 0.35 0.00 0.01 0.00 0.00 42.46 39.09 2buz s ILE 161 CO 0.42 -0.22 1.87 1.05 0.00 0.00 0.00 174.94 178.07 2buz h GLU 162 N 8.50 0.00 -5.12 2.79 4.11 -1.87 -3.41 114.58 119.57 2buz h GLU 162 Ca -0.28 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.48 2buz h GLU 162 Cb 1.13 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.21 2buz h GLU 162 CO 0.76 0.00 -0.08 -1.58 0.07 0.00 0.00 179.01 178.18 2buz s TRP 163 N -3.51 3.14 0.23 2.06 0.51 -1.26 -4.92 118.94 115.19 2buz s TRP 163 Ca 0.03 -0.13 0.22 0.00 -2.12 0.00 0.00 56.10 54.10 2buz s TRP 163 Cb 0.09 -3.02 0.92 0.00 -0.81 0.00 0.00 33.47 30.65 2buz s TRP 163 CO 0.54 -0.69 1.84 0.00 -0.51 0.00 0.00 176.95 178.12 2buz h ALA 164 N 8.69 1.10 0.00 0.98 0.00 -1.99 -1.79 119.26 126.25 2buz h ALA 164 Ca -0.27 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 2buz h ALA 164 Cb 1.11 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 2buz h ALA 164 CO 0.81 0.34 -0.14 0.00 0.00 0.00 0.00 179.25 180.26 2buz h THR 165 N 0.00 0.54 0.00 0.00 1.03 -1.96 -2.52 112.91 110.00 2buz h THR 165 Ca -0.00 -0.66 -0.18 0.00 -0.01 0.00 0.00 66.41 65.56 2buz h THR 165 Cb 0.71 1.44 -0.03 0.00 -1.07 0.00 0.00 68.15 69.20 2buz h THR 165 CO 0.04 0.14 -1.18 0.03 -0.01 0.00 0.00 175.52 174.53 2buz h ARG 166 N 0.00 0.00 -0.69 0.00 3.08 -1.74 -3.30 114.38 111.73 2buz h ARG 166 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 2buz h ARG 166 Cb 0.42 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.43 2buz h ARG 166 CO 0.02 0.50 0.46 0.00 -1.07 0.00 0.00 179.97 179.88 2buz h ARG 167 N 0.00 0.74 0.00 0.04 3.08 -1.10 -1.84 114.38 115.30 2buz h ARG 167 Ca -0.12 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 2buz h ARG 167 Cb 1.65 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 2buz h ARG 167 CO 0.07 0.49 -0.07 -0.56 -1.07 0.00 0.00 179.97 178.83 2buz h GLN 168 N 0.76 0.00 0.00 0.04 3.07 -1.63 -1.90 115.11 115.45 2buz h GLN 168 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 2buz h GLN 168 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2buz h GLN 168 CO -0.09 0.07 0.00 0.25 0.09 0.00 0.00 178.83 179.15 2buz n THR 169 N -3.29 1.03 0.66 1.86 -2.24 -0.69 -2.35 114.28 109.25 2buz n THR 169 Ca -0.01 0.49 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 2buz n THR 169 Cb 0.26 -1.45 0.26 0.00 -2.10 0.00 0.00 70.33 67.30 2buz n THR 169 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2buz n LEU 170 N -2.15 2.87 -4.43 3.22 4.77 -0.71 -4.80 117.00 115.77 2buz n LEU 170 Ca 0.00 -1.20 -0.38 0.00 -0.03 0.00 0.00 56.01 54.40 2buz n LEU 170 Cb 0.12 -0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 40.90 2buz n LEU 170 CO 0.13 0.60 -0.22 -0.69 -1.33 0.00 0.00 177.39 175.88 2buz s VAL 171 N -1.63 4.50 0.46 4.08 1.01 -0.99 -0.26 120.40 127.57 2buz s VAL 171 Ca 0.36 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.72 2buz s VAL 171 Cb 0.21 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 33.21 2buz s VAL 171 CO 0.30 0.10 0.97 0.00 0.00 0.00 0.00 175.10 176.47 2buz s ALA 172 N 1.60 3.01 -0.21 5.51 0.00 0.52 -4.84 121.76 127.34 2buz s ALA 172 Ca 0.05 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.29 2buz s ALA 172 Cb -0.17 -3.16 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 2buz s ALA 172 CO 0.06 -0.04 0.15 0.15 0.00 0.00 0.00 175.76 176.08 2buz s LYS 173 N -3.39 4.15 0.14 0.00 1.02 -0.76 -1.76 119.74 119.15 2buz s LYS 173 Ca 0.62 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 56.09 2buz s LYS 173 Cb -0.10 -3.46 -0.07 0.00 -0.52 0.00 0.00 37.83 33.68 2buz s LYS 173 CO 0.18 0.21 1.03 0.50 -0.92 0.00 0.00 175.35 176.36 2buz s ARG 174 N 0.61 4.65 0.05 1.68 3.52 -1.26 -1.09 118.95 127.11 2buz s ARG 174 Ca 0.08 1.58 -0.01 0.00 -0.13 0.00 0.00 55.73 57.26 2buz s ARG 174 Cb -0.12 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 2buz s ARG 174 CO 0.01 0.15 -0.03 -1.21 -0.81 0.00 0.00 175.30 173.40 2buz s GLU 175 N -0.17 0.57 -0.54 5.12 2.02 0.82 -4.98 118.70 121.53 2buz s GLU 175 Ca 0.48 -1.13 0.04 0.00 0.02 0.00 0.00 54.97 54.38 2buz s GLU 175 Cb -0.26 0.19 0.15 0.00 0.10 0.00 0.00 34.13 34.31 2buz s GLU 175 CO 0.32 -0.10 0.34 -1.21 0.02 0.00 0.00 175.26 174.63 2buz s GLU 176 N -3.55 1.79 -0.62 1.61 2.02 -1.26 -0.79 118.70 117.90 2buz s GLU 176 Ca 0.04 -2.61 -0.27 0.00 0.02 0.00 0.00 54.97 52.15 2buz s GLU 176 Cb 0.05 -2.80 0.03 0.00 0.10 0.00 0.00 34.13 31.52 2buz s GLU 176 CO -0.09 -1.22 1.15 1.03 0.02 0.00 0.00 175.26 176.15 2buz s ARG 177 N -0.44 3.38 -0.92 1.61 3.00 -0.79 -4.43 118.95 120.34 2buz s ARG 177 Ca 0.22 -0.03 -0.09 0.00 0.00 0.00 0.00 55.73 55.82 2buz s ARG 177 Cb -0.14 -4.07 0.01 0.00 0.00 0.00 0.00 34.95 30.74 2buz s ARG 177 CO -0.08 -1.76 0.65 -0.25 0.00 0.00 0.00 175.30 173.86 2buz n ASP 178 N 8.42 -5.19 0.00 0.23 8.00 -1.26 -1.66 116.55 125.08 2buz n ASP 178 Ca 0.05 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.64 2buz n ASP 178 Cb 0.48 -2.38 0.00 0.00 -0.02 0.00 0.00 41.12 39.20 2buz n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2buz n GLY 179 N -1.75 2.04 3.76 0.44 0.00 -1.26 -4.99 105.19 103.43 2buz n GLY 179 Ca -0.21 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 2buz n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buz s GLU 180 N 0.00 4.68 -0.15 1.61 2.02 -0.67 -5.03 118.70 121.16 2buz s GLU 180 Ca 0.00 1.48 -0.17 0.00 0.02 0.00 0.00 54.97 56.30 2buz s GLU 180 Cb 0.00 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2buz s GLU 180 CO 0.00 0.34 0.45 0.08 0.02 0.00 0.00 175.26 176.15 2buz s VAL 181 N -1.36 5.19 -0.03 2.63 1.01 -1.26 -1.89 120.40 124.69 2buz s VAL 181 Ca 0.46 0.86 0.06 0.00 0.00 0.00 0.00 61.98 63.37 2buz s VAL 181 Cb -0.24 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 2buz s VAL 181 CO 0.30 0.30 -0.22 -0.69 0.00 0.00 0.00 175.10 174.79 2buz s VAL 182 N 0.88 1.74 -0.14 2.92 1.01 0.03 -0.77 120.40 126.08 2buz s VAL 182 Ca 0.23 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.29 2buz s VAL 182 Cb -0.15 -1.46 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 2buz s VAL 182 CO 0.09 0.49 -0.17 -0.31 0.00 0.00 0.00 175.10 175.20 2buz s TYR 183 N -0.39 2.74 -0.22 5.22 1.51 0.92 -0.13 117.35 127.00 2buz s TYR 183 Ca 0.05 -1.06 -0.12 0.00 -1.01 0.00 0.00 57.07 54.93 2buz s TYR 183 Cb -0.10 -1.85 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 2buz s TYR 183 CO 0.00 -0.47 0.23 0.50 -1.11 0.00 0.00 175.55 174.71 2buz s ARG 184 N 0.71 4.12 -0.25 -0.62 6.06 -0.25 -1.68 118.95 127.04 2buz s ARG 184 Ca -0.08 -0.11 -0.03 0.00 -2.50 0.00 0.00 55.73 53.01 2buz s ARG 184 Cb -0.16 -3.52 0.08 0.00 0.06 0.00 0.00 34.95 31.42 2buz s ARG 184 CO 0.01 0.06 0.10 0.12 -2.50 0.00 0.00 175.30 173.09 2buz s PHE 185 N 1.03 0.69 0.07 5.12 5.36 0.93 -1.82 117.98 129.36 2buz s PHE 185 Ca 0.11 -0.93 -0.08 0.00 -0.96 0.00 0.00 56.93 55.08 2buz s PHE 185 Cb -0.14 -1.04 -0.05 0.00 -0.34 0.00 0.00 43.02 41.45 2buz s PHE 185 CO 0.05 -0.73 0.35 -0.51 -1.46 0.00 0.00 175.22 172.91 2buz s ASP 186 N 1.97 6.56 -0.15 6.13 1.01 -1.26 -4.08 116.67 126.85 2buz s ASP 186 Ca 0.06 0.67 0.01 0.00 0.71 0.00 0.00 52.55 54.00 2buz s ASP 186 Cb -0.16 -2.13 0.00 0.00 1.01 0.00 0.00 42.92 41.64 2buz s ASP 186 CO -0.24 0.18 -0.17 -0.63 0.21 0.00 0.00 175.17 174.52 2buz s ILE 187 N -1.41 2.50 -0.33 0.77 1.01 -0.20 -4.96 121.20 118.59 2buz s ILE 187 Ca 0.33 -0.83 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 2buz s ILE 187 Cb -0.13 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.33 2buz s ILE 187 CO 0.19 0.53 0.10 -0.13 0.00 0.00 0.00 174.94 175.62 2buz s ARG 188 N 0.76 2.76 0.40 2.79 0.52 -1.26 -1.03 118.95 123.88 2buz s ARG 188 Ca -0.07 -1.09 0.20 0.00 -0.52 0.00 0.00 55.73 54.25 2buz s ARG 188 Cb -0.16 -3.43 0.81 0.00 0.52 0.00 0.00 34.95 32.70 2buz s ARG 188 CO 0.00 -0.60 1.80 0.82 0.02 0.00 0.00 175.30 177.35 2buz h ILE 189 N 6.08 0.85 -2.27 1.52 2.04 -1.70 0.15 117.51 124.19 2buz h ILE 189 Ca -0.26 -1.32 -0.06 0.00 1.00 0.00 0.00 64.86 64.23 2buz h ILE 189 Cb 1.09 1.80 -0.22 0.00 -0.74 0.00 0.00 36.82 38.75 2buz h ILE 189 CO 0.60 0.32 -0.04 -1.58 0.00 0.00 0.00 178.15 177.45 2buz s GLN 190 N -3.76 0.66 0.00 2.37 0.74 -1.26 -4.78 119.66 113.63 2buz s GLN 190 Ca -0.01 0.91 0.00 0.00 0.05 0.00 0.00 55.36 56.31 2buz s GLN 190 Cb 0.12 0.26 0.00 0.00 1.10 0.00 0.00 33.01 34.48 2buz s GLN 190 CO 0.67 -0.11 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 2buz n GLY 191 N 3.26 0.26 3.76 2.59 0.00 -1.26 -4.26 105.19 109.53 2buz n GLY 191 Ca -0.16 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 2buz n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2buz s GLU 192 N 0.00 4.48 -1.51 1.61 2.02 -1.26 -2.52 118.70 121.52 2buz s GLU 192 Ca 0.00 2.00 -0.02 0.00 0.02 0.00 0.00 54.97 56.96 2buz s GLU 192 Cb 0.00 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 31.08 2buz s GLU 192 CO 0.00 -0.05 0.21 0.09 0.02 0.00 0.00 175.26 175.53 2buz n ASN 193 N 1.52 -5.28 -4.65 -0.19 3.02 -1.26 -4.88 115.26 103.53 2buz n ASN 193 Ca 0.01 -0.07 -0.47 0.00 -0.03 0.00 0.00 54.58 54.02 2buz n ASN 193 Cb 0.43 -4.37 -0.05 0.00 -0.61 0.00 0.00 39.78 35.18 2buz n ASN 193 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2buz n GLU 194 N -3.30 1.93 -1.95 3.52 2.13 -1.05 -4.62 120.64 117.31 2buz n GLU 194 Ca -0.17 0.70 -0.39 0.00 0.66 0.00 0.00 57.16 57.96 2buz n GLU 194 Cb 0.64 -2.44 0.01 0.00 0.27 0.00 0.00 31.44 29.91 2buz n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2buz s THR 195 N 0.91 2.39 0.17 6.31 2.01 0.54 -4.95 115.64 123.02 2buz s THR 195 Ca 0.80 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 2buz s THR 195 Cb -0.74 -3.20 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 2buz s THR 195 CO 0.40 0.04 1.28 -0.69 -0.69 0.00 0.00 174.62 174.97 2buz s VAL 196 N -1.26 3.38 0.11 3.82 1.01 -1.26 -4.94 120.40 121.25 2buz s VAL 196 Ca 0.60 1.11 0.10 0.00 0.00 0.00 0.00 61.98 63.79 2buz s VAL 196 Cb -0.40 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2buz s VAL 196 CO 0.51 0.15 -0.26 -0.36 0.00 0.00 0.00 175.10 175.14 2buz s PHE 197 N 0.27 2.23 0.13 5.22 0.08 -1.26 -4.67 117.98 119.98 2buz s PHE 197 Ca 0.57 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.29 2buz s PHE 197 Cb -0.35 -1.24 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 2buz s PHE 197 CO 0.36 0.27 -0.04 -0.06 -0.10 0.00 0.00 175.22 175.65 2buz s PHE 198 N -1.01 2.84 -0.40 0.36 0.08 0.16 -4.99 117.98 115.03 2buz s PHE 198 Ca 0.12 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 56.93 2buz s PHE 198 Cb -0.10 -1.43 0.03 0.00 -0.57 0.00 0.00 43.02 40.95 2buz s PHE 198 CO 0.05 0.48 0.26 0.34 -0.10 0.00 0.00 175.22 176.24 2buz s ASP 199 N -2.55 5.91 0.00 1.36 3.68 -1.26 -4.20 116.67 119.60 2buz s ASP 199 Ca 0.25 -0.99 0.20 0.00 2.13 0.00 0.00 52.55 54.15 2buz s ASP 199 Cb -0.10 -2.09 0.16 0.00 -1.45 0.00 0.00 42.92 39.44 2buz s ASP 199 CO 0.17 -0.43 1.14 2.30 0.13 0.00 0.00 175.17 178.48