#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bfb n LYS 22 N 0.00 1.83 -3.78 0.54 2.85 -0.06 -4.64 118.16 114.91 1bfb n LYS 22 Ca 0.00 -0.21 -0.15 0.00 -1.05 0.00 0.00 58.31 56.90 1bfb n LYS 22 Cb 0.00 0.05 -0.16 0.00 -0.65 0.00 0.00 35.03 34.27 1bfb n LYS 22 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1bfb s ARG 23 N -2.11 -0.02 -0.43 -1.58 0.52 0.11 0.01 118.95 115.44 1bfb s ARG 23 Ca 0.00 0.18 -0.17 0.00 -0.52 0.00 0.00 55.73 55.23 1bfb s ARG 23 Cb -0.00 -0.26 0.03 0.00 0.52 0.00 0.00 34.95 35.24 1bfb s ARG 23 CO 0.00 -0.17 0.42 -0.51 0.02 0.00 0.00 175.30 175.06 1bfb s LEU 24 N 1.07 5.00 -0.43 2.53 1.43 -1.26 -0.32 118.68 126.69 1bfb s LEU 24 Ca -0.09 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.02 1bfb s LEU 24 Cb -0.13 -2.32 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1bfb s LEU 24 CO -0.03 -0.58 0.54 -0.47 0.23 0.00 0.00 176.35 176.04 1bfb s TYR 25 N 2.03 3.12 -0.05 0.29 5.04 -0.04 -1.38 117.35 126.36 1bfb s TYR 25 Ca 0.10 -0.24 -0.29 0.00 -2.44 0.00 0.00 57.07 54.21 1bfb s TYR 25 Cb -0.18 -3.13 -0.03 0.00 0.35 0.00 0.00 41.96 38.97 1bfb s TYR 25 CO 0.12 -0.79 0.93 0.00 -1.34 0.00 0.00 175.55 174.47 1bfb h LYS 27 N 6.91 0.00 -5.51 0.00 3.64 -1.49 -1.94 116.57 118.18 1bfb h LYS 27 Ca -0.38 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.32 1bfb h LYS 27 Cb 1.19 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 1bfb h LYS 27 CO 0.78 0.04 2.35 -1.71 -2.27 0.00 0.00 179.45 178.64 1bfb n ASN 28 N -3.89 4.76 0.00 4.20 5.15 -1.25 -4.13 115.26 120.10 1bfb n ASN 28 Ca -0.03 -2.91 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 1bfb n ASN 28 Cb 0.13 -1.73 0.00 0.00 -0.53 0.00 0.00 39.78 37.65 1bfb n ASN 28 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1bfb n GLY 29 N 5.14 2.28 0.40 8.20 0.00 -1.26 -4.11 105.19 115.83 1bfb n GLY 29 Ca 0.49 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bfb n GLY 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bfb n GLY 30 N 0.00 0.57 3.49 -0.02 0.00 -0.75 -5.04 105.19 103.44 1bfb n GLY 30 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 1bfb n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bfb s PHE 31 N -1.84 2.67 -0.00 1.61 0.40 -1.08 -4.66 117.98 115.08 1bfb s PHE 31 Ca 0.00 -0.18 -0.19 0.00 -0.60 0.00 0.00 56.93 55.95 1bfb s PHE 31 Cb 0.00 -1.55 -0.05 0.00 0.51 0.00 0.00 43.02 41.93 1bfb s PHE 31 CO 0.00 0.25 0.56 -0.06 0.70 0.00 0.00 175.22 176.67 1bfb s PHE 32 N -0.87 3.69 0.50 0.36 0.40 -0.26 0.84 117.98 122.63 1bfb s PHE 32 Ca 0.14 1.16 -0.23 0.00 -0.60 0.00 0.00 56.93 57.40 1bfb s PHE 32 Cb -0.11 -2.55 -0.07 0.00 0.51 0.00 0.00 43.02 40.80 1bfb s PHE 32 CO 0.04 0.40 1.30 -0.11 0.70 0.00 0.00 175.22 177.55 1bfb n LEU 33 N 2.58 4.85 -4.01 -0.37 7.94 -0.48 -1.42 117.00 126.09 1bfb n LEU 33 Ca -0.08 1.02 -0.16 0.00 -1.11 0.00 0.00 56.01 55.67 1bfb n LEU 33 Cb 0.51 -1.54 -0.14 0.00 0.53 0.00 0.00 43.42 42.79 1bfb n LEU 33 CO 0.42 -0.68 -0.41 -0.60 -1.11 0.00 0.00 177.39 175.01 1bfb s ARG 34 N -2.62 0.56 -0.25 1.96 3.52 0.20 -4.53 118.95 117.80 1bfb s ARG 34 Ca 0.68 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 1bfb s ARG 34 Cb -0.45 -0.50 0.07 0.00 -1.56 0.00 0.00 34.95 32.52 1bfb s ARG 34 CO 0.53 0.13 -0.01 0.42 -0.81 0.00 0.00 175.30 175.56 1bfb s ILE 35 N -0.50 1.32 0.65 4.11 1.01 -0.66 -1.82 121.20 125.31 1bfb s ILE 35 Ca -0.01 -1.24 -0.09 0.00 0.00 0.00 0.00 60.65 59.31 1bfb s ILE 35 Cb -0.05 -1.73 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1bfb s ILE 35 CO 0.00 -0.25 1.01 -1.00 0.00 0.00 0.00 174.94 174.70 1bfb s HIS 36 N 1.46 3.33 -1.66 3.97 3.76 -0.52 -4.65 115.29 120.98 1bfb s HIS 36 Ca -0.01 0.91 0.30 0.00 -0.15 0.00 0.00 55.06 56.12 1bfb s HIS 36 Cb -0.18 -2.90 1.56 0.00 1.11 0.00 0.00 32.58 32.17 1bfb s HIS 36 CO -0.10 -0.99 2.06 -0.35 -0.85 0.00 0.00 174.74 174.52 1bfb n PRO 37 N -2.81 0.67 0.00 8.40 -0.04 -1.26 -1.80 135.00 138.16 1bfb n PRO 37 Ca 0.06 -0.07 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 1bfb n PRO 37 Cb 0.57 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 1bfb n PRO 37 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bfb n ASP 38 N -1.10 2.75 0.00 3.54 5.68 -1.26 -4.93 116.55 121.23 1bfb n ASP 38 Ca 0.17 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1bfb n ASP 38 Cb 0.21 0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.23 1bfb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bfb n GLY 39 N 1.23 2.69 3.72 6.12 0.00 -0.75 -4.98 105.19 113.23 1bfb n GLY 39 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1bfb n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bfb s ARG 40 N -0.40 4.64 -0.08 1.61 0.52 -1.26 -0.38 118.95 123.61 1bfb s ARG 40 Ca 0.00 1.49 0.03 0.00 -0.52 0.00 0.00 55.73 56.73 1bfb s ARG 40 Cb 0.00 -3.38 -0.02 0.00 0.52 0.00 0.00 34.95 32.07 1bfb s ARG 40 CO 0.00 0.12 -0.16 0.08 0.02 0.00 0.00 175.30 175.36 1bfb s VAL 41 N 0.25 2.89 0.12 3.52 1.01 -1.26 -1.44 120.40 125.48 1bfb s VAL 41 Ca 0.49 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1bfb s VAL 41 Cb -0.24 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.05 1bfb s VAL 41 CO 0.30 0.56 0.82 -0.90 0.00 0.00 0.00 175.10 175.88 1bfb n ASP 42 N 2.89 -1.28 -4.56 3.32 5.68 -0.75 -4.57 116.55 117.28 1bfb n ASP 42 Ca -0.18 -1.63 -0.26 0.00 -0.50 0.00 0.00 54.79 52.23 1bfb n ASP 42 Cb 0.52 2.06 -0.09 0.00 -1.14 0.00 0.00 41.12 42.48 1bfb n ASP 42 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1bfb s GLY 43 N -3.16 1.73 0.09 6.12 0.00 0.13 0.60 107.32 112.83 1bfb s GLY 43 Ca 0.18 -1.56 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1bfb s GLY 43 CO 0.04 -1.60 -0.06 -1.34 0.00 0.00 0.00 173.10 170.14 1bfb s VAL 44 N -1.91 0.61 -0.90 1.40 -7.23 -0.51 -4.81 120.40 107.05 1bfb s VAL 44 Ca 0.26 -1.83 0.21 0.00 -1.81 0.00 0.00 61.98 58.82 1bfb s VAL 44 Cb -0.08 -1.54 -0.24 0.00 0.56 0.00 0.00 36.38 35.08 1bfb s VAL 44 CO 0.16 -0.84 0.86 0.54 -0.31 0.00 0.00 175.10 175.50 1bfb n ARG 45 N 0.14 0.09 -2.61 4.82 1.74 -1.26 -1.11 116.66 118.47 1bfb n ARG 45 Ca -0.14 -0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.50 1bfb n ARG 45 Cb 0.60 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 1bfb n ARG 45 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1bfb s GLU 46 N -3.04 4.25 0.00 5.56 2.56 -1.26 -4.86 118.70 121.91 1bfb s GLU 46 Ca 0.06 1.42 0.30 0.00 0.00 0.00 0.00 54.97 56.76 1bfb s GLU 46 Cb 0.16 -3.67 1.53 0.00 2.00 0.00 0.00 34.13 34.15 1bfb s GLU 46 CO 0.87 -0.65 2.04 0.36 -0.56 0.00 0.00 175.26 177.32 1bfb n LYS 47 N 6.38 0.73 -0.02 4.30 0.00 -1.26 -2.26 118.16 126.03 1bfb n LYS 47 Ca 0.12 -0.11 0.12 0.00 -0.00 0.00 0.00 58.31 58.44 1bfb n LYS 47 Cb 0.46 -1.50 0.17 0.00 -0.00 0.00 0.00 35.03 34.16 1bfb n LYS 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1bfb n SER 48 N -1.04 2.83 -4.68 -5.58 3.41 -1.26 -4.89 113.62 102.40 1bfb n SER 48 Ca 0.17 -1.93 -0.42 0.00 -0.26 0.00 0.00 58.87 56.44 1bfb n SER 48 Cb 0.22 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1bfb n SER 48 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1bfb n ASP 49 N 1.19 4.10 0.22 4.04 -0.08 -0.96 -4.88 116.55 120.19 1bfb n ASP 49 Ca 0.15 0.96 0.07 0.00 -1.51 0.00 0.00 54.79 54.47 1bfb n ASP 49 Cb 0.56 -1.54 0.51 0.00 2.34 0.00 0.00 41.12 42.99 1bfb n ASP 49 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1bfb h PRO 50 N 9.10 0.00 -0.36 -0.67 0.13 -1.91 -3.18 132.00 135.11 1bfb h PRO 50 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1bfb h PRO 50 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1bfb h PRO 50 CO 0.95 0.26 0.00 0.72 -0.23 0.00 0.00 178.00 179.69 1bfb n HIS 51 N -3.81 0.00 -0.13 1.56 8.25 -1.26 -3.44 115.22 116.39 1bfb n HIS 51 Ca -0.01 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.50 1bfb n HIS 51 Cb 0.35 -0.04 0.13 0.00 1.12 0.00 0.00 29.99 31.56 1bfb n HIS 51 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1bfb n ILE 52 N -0.29 0.95 -2.83 1.59 -5.35 -1.20 -1.65 119.36 110.57 1bfb n ILE 52 Ca 0.00 -0.97 -0.42 0.00 -0.27 0.00 0.00 62.75 61.09 1bfb n ILE 52 Cb 0.09 0.54 -0.04 0.00 -1.74 0.00 0.00 39.64 38.49 1bfb n ILE 52 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1bfb s LYS 53 N -0.99 4.27 0.25 6.28 3.01 -1.22 -4.42 119.74 126.91 1bfb s LYS 53 Ca 0.21 1.09 0.10 0.00 -1.01 0.00 0.00 55.97 56.35 1bfb s LYS 53 Cb 0.11 -3.60 -0.05 0.00 -1.01 0.00 0.00 37.83 33.27 1bfb s LYS 53 CO 0.14 -0.44 -0.16 -0.51 0.51 0.00 0.00 175.35 174.90 1bfb s LEU 54 N 2.52 2.58 -0.25 3.17 1.43 0.10 -1.64 118.68 126.59 1bfb s LEU 54 Ca 0.39 -1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 1bfb s LEU 54 Cb -0.16 -0.88 0.07 0.00 0.03 0.00 0.00 46.19 45.25 1bfb s LEU 54 CO 0.10 -0.09 0.02 -1.58 0.23 0.00 0.00 176.35 175.03 1bfb s GLN 55 N -3.59 1.14 -0.32 1.70 2.00 0.73 -0.88 119.66 120.44 1bfb s GLN 55 Ca 0.27 -0.95 -0.18 0.00 -2.00 0.00 0.00 55.36 52.49 1bfb s GLN 55 Cb -0.02 -2.37 -0.01 0.00 0.80 0.00 0.00 33.01 31.41 1bfb s GLN 55 CO 0.11 -0.74 0.53 -0.51 -0.50 0.00 0.00 175.29 174.18 1bfb s LEU 56 N 1.52 4.24 -0.27 3.68 1.02 -1.26 -1.59 118.68 126.02 1bfb s LEU 56 Ca 0.01 0.16 -0.05 0.00 0.02 0.00 0.00 54.13 54.27 1bfb s LEU 56 Cb -0.18 -2.64 0.00 0.00 0.02 0.00 0.00 46.19 43.40 1bfb s LEU 56 CO -0.12 -0.44 0.03 -1.10 0.02 0.00 0.00 176.35 174.75 1bfb s GLN 57 N 2.42 3.17 0.21 1.70 -0.21 -1.09 -4.96 119.66 120.91 1bfb s GLN 57 Ca 0.20 -0.78 -0.31 0.00 0.02 0.00 0.00 55.36 54.49 1bfb s GLN 57 Cb -0.15 -3.23 -0.10 0.00 1.00 0.00 0.00 33.01 30.53 1bfb s GLN 57 CO 0.12 -0.35 1.46 0.00 -2.12 0.00 0.00 175.29 174.40 1bfb s ALA 58 N 1.48 3.66 -0.18 6.09 0.00 -1.26 -1.50 121.76 130.04 1bfb s ALA 58 Ca 0.03 1.31 0.20 0.00 0.00 0.00 0.00 51.96 53.50 1bfb s ALA 58 Cb -0.16 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 1bfb s ALA 58 CO 0.00 -0.73 0.93 0.39 0.00 0.00 0.00 175.76 176.35 1bfb n GLU 59 N 2.93 0.61 -2.99 0.00 -0.58 0.91 -4.94 120.64 116.58 1bfb n GLU 59 Ca 0.09 0.15 -0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1bfb n GLU 59 Cb 0.40 -1.81 0.01 0.00 -0.57 0.00 0.00 31.44 29.47 1bfb n GLU 59 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bfb n GLU 60 N -2.74 0.25 -1.94 3.49 1.02 -1.24 -4.97 120.64 114.51 1bfb n GLU 60 Ca -0.04 -0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 56.00 1bfb n GLU 60 Cb 0.66 0.98 -0.03 0.00 -0.02 0.00 0.00 31.44 33.03 1bfb n GLU 60 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1bfb s ARG 61 N -2.02 4.06 0.00 3.49 1.04 -1.26 -1.73 118.95 122.52 1bfb s ARG 61 Ca 0.16 2.18 0.00 0.00 -1.04 0.00 0.00 55.73 57.03 1bfb s ARG 61 Cb -0.01 -4.05 0.00 0.00 -2.04 0.00 0.00 34.95 28.85 1bfb s ARG 61 CO 0.02 -1.01 0.00 0.41 -0.04 0.00 0.00 175.30 174.68 1bfb n GLY 62 N 4.38 1.36 3.28 3.88 0.00 -1.26 -4.99 105.19 111.84 1bfb n GLY 62 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1bfb n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bfb s VAL 63 N -2.44 2.39 0.08 1.61 1.01 -0.71 -0.40 120.40 121.94 1bfb s VAL 63 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1bfb s VAL 63 Cb 0.00 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1bfb s VAL 63 CO 0.00 0.55 -0.08 0.68 0.00 0.00 0.00 175.10 176.25 1bfb s VAL 64 N 0.20 0.69 -0.11 2.92 -7.23 0.22 -0.06 120.40 117.03 1bfb s VAL 64 Ca -0.13 -1.54 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1bfb s VAL 64 Cb -0.16 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 1bfb s VAL 64 CO 0.07 -0.61 0.04 -0.55 -0.31 0.00 0.00 175.10 173.73 1bfb s SER 65 N -2.34 5.54 -0.25 4.85 0.15 -0.57 -1.41 113.70 119.67 1bfb s SER 65 Ca 0.02 0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1bfb s SER 65 Cb -0.02 -1.69 0.03 0.00 -1.71 0.00 0.00 66.02 62.62 1bfb s SER 65 CO -0.02 0.35 -0.07 -0.63 1.20 0.00 0.00 173.24 174.07 1bfb s ILE 66 N -0.68 2.76 -0.02 6.45 1.01 -1.26 -2.66 121.20 126.80 1bfb s ILE 66 Ca 0.11 -1.09 0.05 0.00 0.00 0.00 0.00 60.65 59.72 1bfb s ILE 66 Cb -0.12 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 1bfb s ILE 66 CO 0.02 0.18 -0.18 -0.75 0.00 0.00 0.00 174.94 174.22 1bfb s LYS 67 N 1.30 2.31 -0.59 2.79 2.20 -0.62 0.05 119.74 127.18 1bfb s LYS 67 Ca -0.01 -0.82 -0.23 0.00 -0.36 0.00 0.00 55.97 54.55 1bfb s LYS 67 Cb -0.17 -2.26 0.05 0.00 -1.51 0.00 0.00 37.83 33.95 1bfb s LYS 67 CO -0.05 0.59 0.91 0.20 -0.36 0.00 0.00 175.35 176.64 1bfb s GLY 68 N -0.91 1.44 0.19 5.54 0.00 -0.29 -0.19 107.32 113.10 1bfb s GLY 68 Ca 0.12 -1.54 -0.18 0.00 0.00 0.00 0.00 44.72 43.12 1bfb s GLY 68 CO 0.02 1.97 1.38 -0.62 0.00 0.00 0.00 173.10 175.85 1bfb n VAL 69 N 6.01 -0.50 0.28 1.40 0.31 -0.65 -0.22 118.33 124.95 1bfb n VAL 69 Ca -0.02 2.10 -0.11 0.00 -0.01 0.00 0.00 64.34 66.31 1bfb n VAL 69 Cb 0.46 -2.73 -0.05 0.00 -0.91 0.00 0.00 33.84 30.61 1bfb n VAL 69 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1bfb h SER 70 N 0.00 -0.61 0.00 4.52 0.02 -1.79 -3.20 113.55 112.49 1bfb h SER 70 Ca 0.27 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1bfb h SER 70 Cb 0.49 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1bfb h SER 70 CO -0.87 -0.43 0.11 0.00 -1.14 0.00 0.00 176.83 174.49 1bfb h ALA 71 N -1.66 1.10 -4.30 3.77 0.00 -1.82 -3.47 119.26 112.88 1bfb h ALA 71 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.49 1bfb h ALA 71 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1bfb h ALA 71 CO 0.11 -0.10 -0.49 -1.71 0.00 0.00 0.00 179.25 177.07 1bfb n ASN 72 N -2.69 -4.72 -4.44 0.00 5.15 0.69 -4.88 115.26 104.37 1bfb n ASN 72 Ca -0.02 -0.11 -0.23 0.00 -0.60 0.00 0.00 54.58 53.61 1bfb n ASN 72 Cb 0.16 -3.91 -0.10 0.00 -0.53 0.00 0.00 39.78 35.39 1bfb n ASN 72 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1bfb s ARG 73 N -5.46 1.60 0.13 1.20 1.81 -1.23 -4.71 118.95 112.29 1bfb s ARG 73 Ca 0.18 -1.70 -0.05 0.00 -1.72 0.00 0.00 55.73 52.43 1bfb s ARG 73 Cb -0.09 -1.67 -0.06 0.00 -0.45 0.00 0.00 34.95 32.68 1bfb s ARG 73 CO 0.23 0.32 0.37 0.71 -0.68 0.00 0.00 175.30 176.25 1bfb s TYR 74 N -2.46 3.49 0.27 -0.53 1.51 -0.20 -1.14 117.35 118.29 1bfb s TYR 74 Ca 0.27 0.59 -0.30 0.00 -1.01 0.00 0.00 57.07 56.63 1bfb s TYR 74 Cb -0.05 -2.02 -0.09 0.00 -0.11 0.00 0.00 41.96 39.68 1bfb s TYR 74 CO 0.13 0.45 1.07 -1.17 -1.11 0.00 0.00 175.55 174.92 1bfb s LEU 75 N -2.52 4.57 0.02 -1.29 2.96 0.11 -1.57 118.68 120.95 1bfb s LEU 75 Ca 0.39 2.20 0.03 0.00 -0.22 0.00 0.00 54.13 56.53 1bfb s LEU 75 Cb -0.12 -3.62 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1bfb s LEU 75 CO 0.23 -0.08 -0.09 0.00 -1.32 0.00 0.00 176.35 175.09 1bfb s ALA 76 N -1.14 0.70 -0.29 5.97 0.00 0.21 -4.44 121.76 122.79 1bfb s ALA 76 Ca 0.44 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 1bfb s ALA 76 Cb -0.31 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.74 1bfb s ALA 76 CO 0.39 0.10 0.05 1.41 0.00 0.00 0.00 175.76 177.72 1bfb s MET 77 N -0.85 3.00 0.88 0.00 1.75 -0.05 -1.86 119.30 122.17 1bfb s MET 77 Ca -0.02 -0.91 -0.13 0.00 -1.25 0.00 0.00 55.69 53.39 1bfb s MET 77 Cb -0.06 -3.30 0.12 0.00 2.84 0.00 0.00 34.83 34.43 1bfb s MET 77 CO 0.00 -0.45 1.17 0.15 -0.65 0.00 0.00 175.02 175.24 1bfb s LYS 78 N 1.46 1.39 0.50 4.11 -0.14 -0.73 -4.73 119.74 121.60 1bfb s LYS 78 Ca 0.02 0.16 0.32 0.00 -1.36 0.00 0.00 55.97 55.10 1bfb s LYS 78 Cb -0.17 -1.88 1.31 0.00 -1.68 0.00 0.00 37.83 35.41 1bfb s LYS 78 CO 0.01 -2.00 1.94 1.05 -0.76 0.00 0.00 175.35 175.59 1bfb h GLU 79 N -1.35 0.00 -0.27 1.68 4.11 -1.99 -0.87 114.58 115.89 1bfb h GLU 79 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1bfb h GLU 79 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1bfb h GLU 79 CO 0.61 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.29 1bfb n ASP 80 N -2.95 1.83 0.00 3.06 5.68 -1.26 -4.91 116.55 118.00 1bfb n ASP 80 Ca 0.01 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.44 1bfb n ASP 80 Cb 0.29 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1bfb n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bfb n GLY 81 N 1.11 0.52 3.77 6.12 0.00 -0.33 -4.90 105.19 111.48 1bfb n GLY 81 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1bfb n GLY 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bfb s ARG 82 N -0.90 2.59 -0.20 1.61 0.52 -1.25 -1.63 118.95 119.69 1bfb s ARG 82 Ca 0.00 1.35 -0.03 0.00 -0.52 0.00 0.00 55.73 56.53 1bfb s ARG 82 Cb 0.00 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.53 1bfb s ARG 82 CO 0.00 -1.41 -0.07 -0.51 0.02 0.00 0.00 175.30 173.33 1bfb s LEU 83 N -5.21 2.84 0.28 2.53 1.02 -1.26 -1.78 118.68 117.11 1bfb s LEU 83 Ca 0.66 -0.38 -0.05 0.00 0.02 0.00 0.00 54.13 54.37 1bfb s LEU 83 Cb -0.20 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.30 1bfb s LEU 83 CO 0.46 0.03 0.40 -1.48 0.02 0.00 0.00 176.35 175.78 1bfb s LEU 84 N 1.19 0.82 -0.11 1.79 0.05 -0.78 -4.31 118.68 117.34 1bfb s LEU 84 Ca 0.02 -1.28 -0.00 0.00 0.05 0.00 0.00 54.13 52.91 1bfb s LEU 84 Cb -0.14 1.32 -0.03 0.00 -2.05 0.00 0.00 46.19 45.29 1bfb s LEU 84 CO -0.02 -1.14 -0.08 0.00 -0.55 0.00 0.00 176.35 174.56 1bfb s ALA 85 N -3.62 2.88 0.01 1.48 0.00 0.49 0.67 121.76 123.67 1bfb s ALA 85 Ca 0.30 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.46 1bfb s ALA 85 Cb 0.01 -1.30 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 1bfb s ALA 85 CO 0.15 0.39 -0.24 -1.54 0.00 0.00 0.00 175.76 174.52 1bfb s SER 86 N -0.20 3.30 0.50 0.00 1.04 -0.61 -4.30 113.70 113.43 1bfb s SER 86 Ca 0.02 -0.49 0.21 0.00 0.48 0.00 0.00 55.95 56.17 1bfb s SER 86 Cb -0.13 -0.41 1.28 0.00 0.10 0.00 0.00 66.02 66.86 1bfb s SER 86 CO 0.03 0.29 2.07 0.50 0.98 0.00 0.00 173.24 177.10 1bfb h LYS 87 N 5.06 0.00 -5.46 4.02 3.64 -1.89 -0.52 116.57 121.43 1bfb h LYS 87 Ca -0.45 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.49 1bfb h LYS 87 Cb 1.14 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.74 1bfb h LYS 87 CO 0.46 0.12 -0.79 -1.54 -2.27 0.00 0.00 179.45 175.44 1bfb s SER 88 N -6.63 1.80 0.17 4.20 1.04 -1.26 -4.76 113.70 108.27 1bfb s SER 88 Ca -0.04 -0.63 -0.32 0.00 0.48 0.00 0.00 55.95 55.44 1bfb s SER 88 Cb 0.15 -0.06 -0.11 0.00 0.10 0.00 0.00 66.02 66.10 1bfb s SER 88 CO 0.64 -0.06 1.70 0.54 0.98 0.00 0.00 173.24 177.04 1bfb s VAL 89 N -1.28 2.33 0.18 5.02 0.11 -1.26 -4.85 120.40 120.65 1bfb s VAL 89 Ca -0.01 0.16 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 1bfb s VAL 89 Cb -0.10 -3.10 -0.05 0.00 -1.53 0.00 0.00 36.38 31.60 1bfb s VAL 89 CO 0.03 0.01 0.00 0.42 -3.33 0.00 0.00 175.10 172.23 1bfb s THR 90 N 1.57 0.72 -2.00 5.04 -4.23 -1.26 -5.02 115.64 110.45 1bfb s THR 90 Ca 0.75 -1.99 0.05 0.00 -1.18 0.00 0.00 61.69 59.32 1bfb s THR 90 Cb -0.47 -2.16 0.15 0.00 1.34 0.00 0.00 72.50 71.36 1bfb s THR 90 CO 0.33 -0.44 0.72 -0.90 -0.54 0.00 0.00 174.62 173.78 1bfb n ASP 91 N -0.27 0.00 -0.99 3.99 5.75 -1.26 -1.43 116.55 122.34 1bfb n ASP 91 Ca -0.06 -0.28 0.12 0.00 -0.01 0.00 0.00 54.79 54.56 1bfb n ASP 91 Cb 0.63 0.00 0.12 0.00 -1.03 0.00 0.00 41.12 40.84 1bfb n ASP 91 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bfb n GLU 92 N -0.87 2.36 -0.60 0.11 1.02 -1.26 -4.23 120.64 117.17 1bfb n GLU 92 Ca 0.04 -1.98 0.10 0.00 -0.02 0.00 0.00 57.16 55.29 1bfb n GLU 92 Cb 0.02 -1.47 0.36 0.00 -0.02 0.00 0.00 31.44 30.33 1bfb n GLU 92 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bfb s PHE 94 N -1.76 2.19 -0.05 0.00 0.40 -1.26 -4.38 117.98 113.12 1bfb s PHE 94 Ca 0.51 -0.39 -0.08 0.00 -0.60 0.00 0.00 56.93 56.38 1bfb s PHE 94 Cb 0.32 -1.20 0.01 0.00 0.51 0.00 0.00 43.02 42.67 1bfb s PHE 94 CO 0.26 0.29 0.19 -0.06 0.70 0.00 0.00 175.22 176.61 1bfb s PHE 95 N -1.06 -0.14 -0.06 0.36 0.40 -0.50 -1.27 117.98 115.71 1bfb s PHE 95 Ca 0.12 0.31 -0.29 0.00 -0.60 0.00 0.00 56.93 56.47 1bfb s PHE 95 Cb -0.10 0.04 -0.02 0.00 0.51 0.00 0.00 43.02 43.45 1bfb s PHE 95 CO 0.05 -0.19 0.95 -0.06 0.70 0.00 0.00 175.22 176.67 1bfb s PHE 96 N -0.49 3.57 -0.28 0.36 0.08 0.28 -0.61 117.98 120.89 1bfb s PHE 96 Ca -0.06 1.58 -0.16 0.00 0.12 0.00 0.00 56.93 58.41 1bfb s PHE 96 Cb -0.04 -3.11 -0.03 0.00 -0.57 0.00 0.00 43.02 39.27 1bfb s PHE 96 CO 0.01 -0.10 0.40 -2.00 -0.10 0.00 0.00 175.22 173.43 1bfb s GLU 97 N 1.48 3.94 -0.05 0.44 2.12 0.46 -0.84 118.70 126.26 1bfb s GLU 97 Ca 0.48 0.02 0.03 0.00 0.36 0.00 0.00 54.97 55.86 1bfb s GLU 97 Cb -0.19 -3.68 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1bfb s GLU 97 CO 0.22 -0.35 -0.13 0.50 -0.54 0.00 0.00 175.26 174.97 1bfb s ARG 98 N 2.13 1.48 0.15 4.30 3.52 -0.67 -4.74 118.95 125.13 1bfb s ARG 98 Ca 0.16 -0.43 -0.30 0.00 -0.13 0.00 0.00 55.73 55.03 1bfb s ARG 98 Cb -0.16 -1.29 -0.07 0.00 -1.56 0.00 0.00 34.95 31.88 1bfb s ARG 98 CO 0.10 0.12 1.08 -1.17 -0.81 0.00 0.00 175.30 174.62 1bfb s LEU 99 N 0.34 4.48 0.00 -0.88 2.96 -1.26 -1.41 118.68 122.90 1bfb s LEU 99 Ca -0.08 2.02 0.03 0.00 -0.22 0.00 0.00 54.13 55.88 1bfb s LEU 99 Cb -0.12 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 43.00 1bfb s LEU 99 CO 0.02 -0.22 0.24 1.21 -1.32 0.00 0.00 176.35 176.29 1bfb n GLU 100 N 2.63 0.71 -0.67 1.98 4.07 0.87 -4.99 120.64 125.24 1bfb n GLU 100 Ca 0.03 -3.57 -0.31 0.00 -0.06 0.00 0.00 57.16 53.25 1bfb n GLU 100 Cb 0.47 0.63 0.17 0.00 -0.06 0.00 0.00 31.44 32.65 1bfb n GLU 100 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1bfb n SER 101 N -1.62 -1.01 -1.89 4.31 7.64 -1.26 -3.19 113.62 116.61 1bfb n SER 101 Ca -0.10 0.24 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 1bfb n SER 101 Cb 0.64 -1.31 -0.04 0.00 -1.01 0.00 0.00 64.21 62.49 1bfb n SER 101 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bfb n ASN 102 N -3.27 -4.00 0.00 6.43 3.02 -1.26 -2.59 115.26 113.60 1bfb n ASN 102 Ca 0.08 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1bfb n ASN 102 Cb 0.54 -3.54 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 1bfb n ASN 102 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1bfb n ASN 103 N -1.18 -3.75 -4.81 6.41 3.02 -1.19 -5.02 115.26 108.74 1bfb n ASN 103 Ca -0.15 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.05 1bfb n ASN 103 Cb 0.54 -1.55 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 1bfb n ASN 103 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1bfb s TYR 104 N -1.74 3.51 0.15 3.10 1.51 -1.07 -4.71 117.35 118.10 1bfb s TYR 104 Ca 0.00 1.62 0.07 0.00 -1.01 0.00 0.00 57.07 57.75 1bfb s TYR 104 Cb 0.00 -2.82 -0.04 0.00 -0.11 0.00 0.00 41.96 38.99 1bfb s TYR 104 CO 0.00 0.09 -0.02 -0.80 -1.11 0.00 0.00 175.55 173.72 1bfb s ASN 105 N -1.90 4.76 0.13 2.29 -0.87 0.25 -0.09 114.94 119.50 1bfb s ASN 105 Ca 0.54 -0.36 0.08 0.00 -1.57 0.00 0.00 52.86 51.56 1bfb s ASN 105 Cb -0.14 -1.02 -0.04 0.00 -0.02 0.00 0.00 41.25 40.03 1bfb s ASN 105 CO 0.19 0.12 -0.19 0.42 -2.57 0.00 0.00 177.10 175.07 1bfb s THR 106 N -1.57 1.69 -0.24 1.60 -4.23 -0.50 -1.57 115.64 110.81 1bfb s THR 106 Ca 0.26 -1.70 -0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1bfb s THR 106 Cb -0.10 -1.65 0.07 0.00 1.34 0.00 0.00 72.50 72.16 1bfb s THR 106 CO 0.18 -0.21 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.74 1bfb s TYR 107 N -1.62 2.03 -0.12 3.99 2.02 -1.25 -1.66 117.35 120.74 1bfb s TYR 107 Ca 0.10 -1.60 -0.02 0.00 -0.37 0.00 0.00 57.07 55.18 1bfb s TYR 107 Cb -0.08 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 1bfb s TYR 107 CO 0.05 -0.76 -0.04 0.50 -1.57 0.00 0.00 175.55 173.73 1bfb s ARG 108 N 1.52 3.28 0.09 -0.62 3.52 -0.02 -1.28 118.95 125.43 1bfb s ARG 108 Ca -0.01 -0.50 -0.34 0.00 -0.13 0.00 0.00 55.73 54.75 1bfb s ARG 108 Cb -0.18 -2.80 -0.13 0.00 -1.56 0.00 0.00 34.95 30.28 1bfb s ARG 108 CO -0.10 0.45 1.69 0.45 -0.81 0.00 0.00 175.30 176.99 1bfb n SER 109 N 2.88 3.33 0.27 -2.12 2.88 -0.81 0.10 113.62 120.16 1bfb n SER 109 Ca -0.18 1.04 0.15 0.00 -1.33 0.00 0.00 58.87 58.56 1bfb n SER 109 Cb 0.53 -1.43 0.66 0.00 -0.75 0.00 0.00 64.21 63.21 1bfb n SER 109 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1bfb h ARG 110 N 7.14 0.00 0.00 -1.46 2.43 -1.51 -3.26 114.38 117.72 1bfb h ARG 110 Ca -0.46 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.66 1bfb h ARG 110 Cb 1.25 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1bfb h ARG 110 CO 0.91 0.07 -0.67 1.17 -1.51 0.00 0.00 179.97 179.94 1bfb n LYS 111 N -3.21 0.47 -2.90 0.20 4.81 -1.26 -4.55 118.16 111.73 1bfb n LYS 111 Ca 0.00 0.54 -0.44 0.00 -0.87 0.00 0.00 58.31 57.54 1bfb n LYS 111 Cb 0.32 -1.70 0.00 0.00 0.02 0.00 0.00 35.03 33.67 1bfb n LYS 111 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1bfb n TYR 112 N -4.58 3.80 0.00 5.64 4.01 -1.26 -4.93 117.16 119.84 1bfb n TYR 112 Ca -0.12 -3.14 0.00 0.00 -0.16 0.00 0.00 57.90 54.48 1bfb n TYR 112 Cb 0.35 -1.76 0.00 0.00 -0.31 0.00 0.00 39.34 37.62 1bfb n TYR 112 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 1bfb n THR 113 N 2.94 0.90 -0.01 -0.72 -2.24 -1.23 -1.56 114.28 112.35 1bfb n THR 113 Ca 0.32 0.35 0.03 0.00 -2.27 0.00 0.00 64.05 62.47 1bfb n THR 113 Cb 0.38 -1.35 0.06 0.00 -2.10 0.00 0.00 70.33 67.32 1bfb n THR 113 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1bfb n SER 114 N -1.17 2.21 -4.71 3.42 3.41 -1.26 -4.83 113.62 110.68 1bfb n SER 114 Ca 0.00 -1.82 -0.35 0.00 -0.26 0.00 0.00 58.87 56.44 1bfb n SER 114 Cb 0.12 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.90 1bfb n SER 114 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1bfb s TRP 115 N -0.87 3.37 -0.05 7.33 0.52 -0.60 -4.75 118.94 123.89 1bfb s TRP 115 Ca 0.10 0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.52 1bfb s TRP 115 Cb 0.05 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.24 1bfb s TRP 115 CO 0.07 0.30 -0.13 0.71 0.02 0.00 0.00 176.95 177.92 1bfb s TYR 116 N 0.19 2.73 0.28 -1.98 1.51 -1.25 -1.92 117.35 116.92 1bfb s TYR 116 Ca 0.07 -0.13 -0.30 0.00 -1.01 0.00 0.00 57.07 55.70 1bfb s TYR 116 Cb -0.12 -1.63 -0.13 0.00 -0.11 0.00 0.00 41.96 39.97 1bfb s TYR 116 CO -0.01 0.22 1.26 0.28 -1.11 0.00 0.00 175.55 176.19 1bfb n VAL 117 N 2.24 1.55 -3.49 0.71 0.31 -0.41 -4.36 118.33 114.88 1bfb n VAL 117 Ca -0.17 -0.39 -0.12 0.00 -0.01 0.00 0.00 64.34 63.66 1bfb n VAL 117 Cb 0.52 -1.35 -0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1bfb n VAL 117 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bfb s ALA 118 N -0.65 -1.76 -0.06 3.52 0.00 -1.26 -4.50 121.76 117.04 1bfb s ALA 118 Ca 0.62 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1bfb s ALA 118 Cb -0.65 0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1bfb s ALA 118 CO 0.57 -0.59 -0.17 -0.51 0.00 0.00 0.00 175.76 175.05 1bfb s LEU 119 N -2.11 1.86 0.79 0.00 1.43 -1.01 -2.01 118.68 117.63 1bfb s LEU 119 Ca -0.00 -0.38 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1bfb s LEU 119 Cb -0.01 -1.01 0.06 0.00 0.03 0.00 0.00 46.19 45.26 1bfb s LEU 119 CO -0.05 0.11 1.09 -0.54 0.23 0.00 0.00 176.35 177.19 1bfb s LYS 120 N 0.31 2.15 0.46 1.70 1.02 -0.13 -4.56 119.74 120.70 1bfb s LYS 120 Ca -0.11 1.02 0.30 0.00 0.02 0.00 0.00 55.97 57.20 1bfb s LYS 120 Cb -0.14 -1.90 1.62 0.00 -0.52 0.00 0.00 37.83 36.89 1bfb s LYS 120 CO 0.04 -1.68 1.90 -0.09 -0.92 0.00 0.00 175.35 174.61 1bfb h ARG 121 N -1.15 0.00 -0.01 1.68 2.43 -1.87 0.19 114.38 115.66 1bfb h ARG 121 Ca -0.45 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1bfb h ARG 121 Cb 1.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.79 1bfb h ARG 121 CO 0.54 0.00 -0.19 0.25 -1.51 0.00 0.00 179.97 179.06 1bfb n THR 122 N -2.57 0.00 0.00 0.20 -2.24 -1.26 -4.73 114.28 103.68 1bfb n THR 122 Ca -0.02 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1bfb n THR 122 Cb 0.08 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1bfb n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bfb n GLY 123 N 1.30 2.64 3.77 3.38 0.00 0.68 -5.02 105.19 111.94 1bfb n GLY 123 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1bfb n GLY 123 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bfb s GLN 124 N -0.07 3.71 0.50 1.61 -0.21 -1.26 -0.69 119.66 123.25 1bfb s GLN 124 Ca 0.00 1.70 -0.23 0.00 0.02 0.00 0.00 55.36 56.85 1bfb s GLN 124 Cb 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 33.01 31.63 1bfb s GLN 124 CO 0.00 -0.57 1.29 1.52 -2.12 0.00 0.00 175.29 175.40 1bfb s TYR 125 N -1.62 2.56 0.04 0.91 -0.85 -1.26 -0.95 117.35 116.17 1bfb s TYR 125 Ca 0.65 1.43 -0.11 0.00 -0.52 0.00 0.00 57.07 58.53 1bfb s TYR 125 Cb -0.26 -3.64 -0.05 0.00 0.38 0.00 0.00 41.96 38.38 1bfb s TYR 125 CO 0.32 -2.31 0.37 0.21 -1.52 0.00 0.00 175.55 172.61 1bfb s LYS 126 N -2.75 3.76 0.26 -3.49 2.20 -0.85 -4.51 119.74 114.37 1bfb s LYS 126 Ca 0.67 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 56.17 1bfb s LYS 126 Cb -0.36 -3.08 -0.09 0.00 -1.51 0.00 0.00 37.83 32.78 1bfb s LYS 126 CO 0.43 0.62 1.26 -0.51 -0.36 0.00 0.00 175.35 176.79 1bfb s LEU 127 N -1.61 4.45 0.41 5.43 1.43 -1.26 -4.58 118.68 122.95 1bfb s LEU 127 Ca 0.29 2.46 0.18 0.00 -1.03 0.00 0.00 54.13 56.03 1bfb s LEU 127 Cb -0.14 -3.63 1.10 0.00 0.03 0.00 0.00 46.19 43.55 1bfb s LEU 127 CO 0.16 -0.43 1.81 1.23 0.23 0.00 0.00 176.35 179.34 1bfb h GLY 128 N 4.36 1.01 2.00 -3.19 0.00 -1.50 0.93 103.07 106.67 1bfb h GLY 128 Ca -0.47 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.67 1bfb h GLY 128 CO 0.71 -0.06 0.00 1.48 0.00 0.00 0.00 176.54 178.67 1bfb h SER 129 N 0.40 0.00 -0.51 0.19 4.64 -1.89 -2.28 113.55 114.10 1bfb h SER 129 Ca 0.53 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.82 1bfb h SER 129 Cb 1.36 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.43 1bfb h SER 129 CO -0.23 0.00 0.04 0.29 -0.87 0.00 0.00 176.83 176.06 1bfb n LYS 130 N -3.03 4.16 -3.47 4.77 5.02 0.32 -5.00 118.16 120.93 1bfb n LYS 130 Ca -0.01 -3.08 -0.20 0.00 -2.02 0.00 0.00 58.31 53.00 1bfb n LYS 130 Cb 0.17 -2.14 -0.02 0.00 -0.02 0.00 0.00 35.03 33.01 1bfb n LYS 130 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1bfb s THR 131 N -2.84 2.96 0.14 -0.18 -4.23 -0.86 -5.00 115.64 105.63 1bfb s THR 131 Ca 0.51 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.53 1bfb s THR 131 Cb 0.40 -3.05 0.07 0.00 1.34 0.00 0.00 72.50 71.26 1bfb s THR 131 CO 0.13 -0.04 0.77 -0.83 -0.54 0.00 0.00 174.62 174.11 1bfb s GLY 132 N -4.16 -0.40 0.53 3.99 0.00 -1.26 -4.91 107.32 101.11 1bfb s GLY 132 Ca 0.48 0.39 0.33 0.00 0.00 0.00 0.00 44.72 45.93 1bfb s GLY 132 CO 0.29 0.13 1.97 -0.56 0.00 0.00 0.00 173.10 174.93 1bfb h PRO 133 N 2.00 0.00 -0.02 2.90 0.13 -2.00 -2.63 132.00 132.38 1bfb h PRO 133 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1bfb h PRO 133 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1bfb h PRO 133 CO 0.31 0.00 -0.14 0.41 -0.23 0.00 0.00 178.00 178.35 1bfb n GLY 134 N 0.01 0.44 3.76 1.56 0.00 -1.26 -4.98 105.19 104.71 1bfb n GLY 134 Ca 0.01 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 1bfb n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bfb s GLN 135 N -2.16 2.92 0.40 1.61 -0.21 -0.99 -4.95 119.66 116.28 1bfb s GLN 135 Ca 0.27 1.64 0.22 0.00 0.02 0.00 0.00 55.36 57.51 1bfb s GLN 135 Cb 0.20 -1.94 0.27 0.00 1.00 0.00 0.00 33.01 32.53 1bfb s GLN 135 CO 0.39 -1.20 1.53 -0.22 -2.12 0.00 0.00 175.29 173.67 1bfb h LYS 136 N 0.59 0.00 0.00 2.91 3.64 -1.94 -3.29 116.57 118.48 1bfb h LYS 136 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1bfb h LYS 136 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1bfb h LYS 136 CO 0.55 0.06 0.00 0.00 -2.27 0.00 0.00 179.45 177.79 1bfb h ALA 137 N 1.94 1.00 -0.01 5.00 0.00 -1.93 -1.48 119.26 123.78 1bfb h ALA 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1bfb h ALA 137 Cb 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1bfb h ALA 137 CO 0.01 0.00 -0.70 0.44 0.00 0.00 0.00 179.25 179.00 1bfb n ILE 138 N -2.37 0.00 -2.77 0.00 -5.35 -1.24 -2.40 119.36 105.23 1bfb n ILE 138 Ca 0.02 -0.12 -0.42 0.00 -0.27 0.00 0.00 62.75 61.96 1bfb n ILE 138 Cb 0.23 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.11 1bfb n ILE 138 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1bfb s LEU 139 N -2.75 4.11 -0.07 7.28 1.43 -0.56 -4.51 118.68 123.61 1bfb s LEU 139 Ca 0.14 1.24 0.04 0.00 -1.03 0.00 0.00 54.13 54.52 1bfb s LEU 139 Cb 0.17 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 43.00 1bfb s LEU 139 CO 0.71 -0.57 -0.20 -0.36 0.23 0.00 0.00 176.35 176.16 1bfb s PHE 140 N 2.87 2.56 -0.46 0.29 0.40 -0.61 -1.44 117.98 121.60 1bfb s PHE 140 Ca 0.40 -0.57 -0.13 0.00 -0.60 0.00 0.00 56.93 56.03 1bfb s PHE 140 Cb -0.15 -1.65 0.08 0.00 0.51 0.00 0.00 43.02 41.81 1bfb s PHE 140 CO 0.08 -0.12 0.35 -1.17 0.70 0.00 0.00 175.22 175.06 1bfb s LEU 141 N -0.22 5.49 0.04 -0.37 2.96 0.32 -0.59 118.68 126.31 1bfb s LEU 141 Ca -0.01 -1.45 -0.31 0.00 -0.22 0.00 0.00 54.13 52.15 1bfb s LEU 141 Cb -0.13 -2.11 -0.06 0.00 0.50 0.00 0.00 46.19 44.39 1bfb s LEU 141 CO 0.03 -0.62 1.36 -2.16 -1.32 0.00 0.00 176.35 173.64 1bfb s PRO 142 N 1.55 4.32 -0.02 0.98 0.04 -1.26 -0.86 135.00 139.74 1bfb s PRO 142 Ca 0.04 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.08 1bfb s PRO 142 Cb -0.24 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.84 1bfb s PRO 142 CO 0.04 -0.48 -0.17 -1.64 0.04 0.00 0.00 177.00 174.79 1bfb s MET 143 N 1.83 1.46 0.00 4.56 -1.94 0.56 -4.94 119.30 120.83 1bfb s MET 143 Ca 0.63 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.01 1bfb s MET 143 Cb -0.32 -1.38 0.00 0.00 2.01 0.00 0.00 34.83 35.14 1bfb s MET 143 CO 0.28 0.33 0.28 -1.13 -0.01 0.00 0.00 175.02 174.77