#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bqv s THR 2 N 0.00 3.25 -0.23 6.31 2.01 -1.26 -1.06 115.64 124.67 3bqv s THR 2 Ca 0.00 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 3bqv s THR 2 Cb 0.00 -2.40 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 3bqv s THR 2 CO 0.00 0.50 0.00 -0.36 -0.69 0.00 0.00 174.62 174.07 3bqv s PHE 3 N 0.59 3.01 -0.12 4.92 0.08 0.23 -4.98 117.98 121.71 3bqv s PHE 3 Ca -0.06 -0.70 -0.17 0.00 0.12 0.00 0.00 56.93 56.11 3bqv s PHE 3 Cb -0.15 -2.15 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 3bqv s PHE 3 CO 0.03 -0.45 0.45 0.99 -0.10 0.00 0.00 175.22 176.14 3bqv s THR 4 N 1.47 5.20 -0.23 0.64 2.01 -1.26 -0.88 115.64 122.59 3bqv s THR 4 Ca 0.05 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.96 3bqv s THR 4 Cb -0.15 -3.79 0.03 0.00 0.01 0.00 0.00 72.50 68.61 3bqv s THR 4 CO -0.00 0.34 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 3bqv s VAL 5 N 0.56 2.42 0.21 3.82 1.01 -0.17 -4.43 120.40 123.81 3bqv s VAL 5 Ca 0.25 -1.18 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3bqv s VAL 5 Cb -0.15 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 33.92 3bqv s VAL 5 CO 0.09 0.24 1.17 -0.54 0.00 0.00 0.00 175.10 176.06 3bqv s LYS 6 N 1.25 4.53 -0.44 2.72 1.02 0.34 -1.57 119.74 127.59 3bqv s LYS 6 Ca -0.01 1.85 -0.15 0.00 0.02 0.00 0.00 55.97 57.67 3bqv s LYS 6 Cb -0.17 -3.23 0.04 0.00 -0.52 0.00 0.00 37.83 33.96 3bqv s LYS 6 CO -0.07 -0.01 0.35 -1.64 -0.92 0.00 0.00 175.35 173.06 3bqv s MET 7 N -0.54 2.98 0.00 1.68 -1.94 0.12 -1.03 119.30 120.57 3bqv s MET 7 Ca 0.51 -1.15 0.00 0.00 -1.71 0.00 0.00 55.69 53.34 3bqv s MET 7 Cb -0.32 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.47 3bqv s MET 7 CO 0.38 -0.88 0.00 0.41 -0.01 0.00 0.00 175.02 174.92 3bqv n GLY 8 N 5.18 1.26 3.79 -0.03 0.00 -0.25 -0.95 105.19 114.19 3bqv n GLY 8 Ca -0.11 -1.34 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 3bqv n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bqv s ALA 9 N -0.08 2.36 0.48 4.61 0.00 -0.28 -3.98 121.76 124.87 3bqv s ALA 9 Ca 0.00 0.13 0.18 0.00 0.00 0.00 0.00 51.96 52.26 3bqv s ALA 9 Cb 0.00 -3.21 1.19 0.00 0.00 0.00 0.00 23.12 21.09 3bqv s ALA 9 CO 0.00 -1.61 2.01 -0.44 0.00 0.00 0.00 175.76 175.73 3bqv h ASP 10 N -1.00 0.19 0.65 0.00 3.32 -1.96 -0.18 116.42 117.44 3bqv h ASP 10 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3bqv h ASP 10 Cb 1.23 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3bqv h ASP 10 CO 0.54 0.12 0.00 -1.54 -1.72 0.00 0.00 179.24 176.64 3bqv n SER 11 N -4.45 0.00 0.00 6.45 3.41 -1.26 -4.89 113.62 112.88 3bqv n SER 11 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3bqv n SER 11 Cb 0.40 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 3bqv n SER 11 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3bqv n GLY 12 N 1.25 0.35 3.70 5.00 0.00 -0.08 -5.06 105.19 110.35 3bqv n GLY 12 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3bqv n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bqv n LEU 13 N 0.00 3.96 -4.46 0.99 4.77 -1.26 -4.69 117.00 116.31 3bqv n LEU 13 Ca 0.00 1.11 -0.44 0.00 -0.03 0.00 0.00 56.01 56.65 3bqv n LEU 13 Cb 0.00 -1.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.60 3bqv n LEU 13 CO 0.00 -0.66 1.47 0.18 -1.33 0.00 0.00 177.39 177.05 3bqv n LEU 14 N 0.25 5.22 -4.02 2.23 4.77 -1.26 -1.12 117.00 123.07 3bqv n LEU 14 Ca 0.07 -4.41 -0.11 0.00 -0.03 0.00 0.00 56.01 51.53 3bqv n LEU 14 Cb 0.39 -1.63 -0.11 0.00 -2.33 0.00 0.00 43.42 39.74 3bqv n LEU 14 CO 0.59 0.68 -0.38 0.00 -1.33 0.00 0.00 177.39 176.95 3bqv s GLN 15 N 1.81 0.42 0.07 3.23 -2.07 -1.26 -3.79 119.66 118.07 3bqv s GLN 15 Ca 0.44 -0.69 -0.21 0.00 -1.82 0.00 0.00 55.36 53.07 3bqv s GLN 15 Cb -0.02 -0.08 -0.07 0.00 -1.09 0.00 0.00 33.01 31.75 3bqv s GLN 15 CO 0.01 -0.00 0.64 -0.06 -1.32 0.00 0.00 175.29 174.56 3bqv s PHE 16 N -1.48 3.79 -0.19 9.60 0.08 -1.26 -1.09 117.98 127.44 3bqv s PHE 16 Ca -0.13 1.36 -0.02 0.00 0.12 0.00 0.00 56.93 58.26 3bqv s PHE 16 Cb -0.10 -2.62 0.06 0.00 -0.57 0.00 0.00 43.02 39.80 3bqv s PHE 16 CO -0.00 0.48 0.02 -1.21 -0.10 0.00 0.00 175.22 174.41 3bqv s GLU 17 N -0.79 0.77 0.38 0.44 2.02 -0.20 -2.51 118.70 118.83 3bqv s GLU 17 Ca 0.32 -0.46 -0.24 0.00 0.02 0.00 0.00 54.97 54.61 3bqv s GLU 17 Cb -0.20 -2.10 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 3bqv s GLU 17 CO 0.21 -0.61 1.03 -1.25 0.02 0.00 0.00 175.26 174.65 3bqv s PRO 18 N 1.81 4.25 0.36 0.39 0.04 -1.26 -0.50 135.00 140.09 3bqv s PRO 18 Ca -0.01 1.47 0.19 0.00 0.04 0.00 0.00 61.00 62.69 3bqv s PRO 18 Cb -0.17 -2.59 0.49 0.00 0.04 0.00 0.00 34.50 32.27 3bqv s PRO 18 CO -0.08 -0.06 1.64 0.00 0.04 0.00 0.00 177.00 178.55 3bqv h ALA 19 N 2.62 0.87 -3.21 8.56 0.00 -1.83 -3.43 119.26 122.84 3bqv h ALA 19 Ca -0.48 -0.33 -0.65 0.00 0.00 0.00 0.00 54.91 53.46 3bqv h ALA 19 Cb 1.21 -0.06 -0.34 0.00 0.00 0.00 0.00 17.79 18.60 3bqv h ALA 19 CO 0.63 0.45 -0.86 -0.80 0.00 0.00 0.00 179.25 178.67 3bqv s ASN 20 N -6.35 2.89 -0.04 0.00 0.01 -1.26 -0.30 114.94 109.90 3bqv s ASN 20 Ca 0.02 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.65 3bqv s ASN 20 Cb 0.09 -1.33 0.01 0.00 0.41 0.00 0.00 41.25 40.43 3bqv s ASN 20 CO 0.69 0.05 -0.10 -0.69 -1.51 0.00 0.00 177.10 175.54 3bqv s VAL 21 N 0.92 0.89 -0.17 1.60 1.01 -0.76 -5.01 120.40 118.88 3bqv s VAL 21 Ca -0.06 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3bqv s VAL 21 Cb -0.15 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 3bqv s VAL 21 CO -0.03 0.28 0.01 -0.89 0.00 0.00 0.00 175.10 174.47 3bqv s THR 22 N 0.32 4.33 0.20 3.92 2.01 -1.26 -0.83 115.64 124.32 3bqv s THR 22 Ca -0.06 -0.20 0.08 0.00 0.31 0.00 0.00 61.69 61.82 3bqv s THR 22 Cb -0.11 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 3bqv s THR 22 CO 0.01 0.48 -0.16 0.68 -0.69 0.00 0.00 174.62 174.94 3bqv s VAL 23 N 0.33 1.82 0.17 3.82 -7.23 0.61 -4.95 120.40 114.97 3bqv s VAL 23 Ca -0.00 -2.12 0.09 0.00 -1.81 0.00 0.00 61.98 58.14 3bqv s VAL 23 Cb -0.13 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3bqv s VAL 23 CO 0.02 -0.48 -0.11 -1.00 -0.31 0.00 0.00 175.10 173.22 3bqv s HIS 24 N -2.59 2.62 0.16 2.82 3.76 -1.26 -1.18 115.29 119.62 3bqv s HIS 24 Ca 0.20 -0.23 -0.33 0.00 -0.15 0.00 0.00 55.06 54.56 3bqv s HIS 24 Cb -0.03 -1.30 -0.16 0.00 1.11 0.00 0.00 32.58 32.21 3bqv s HIS 24 CO 0.07 0.50 1.16 -2.30 -0.85 0.00 0.00 174.74 173.32 3bqv n PRO 25 N 0.16 1.12 0.00 8.40 -0.02 -1.26 -0.73 135.00 142.67 3bqv n PRO 25 Ca -0.11 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 3bqv n PRO 25 Cb 0.55 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3bqv n PRO 25 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqv n GLY 26 N 2.03 2.13 3.80 -1.23 0.00 -0.22 -5.03 105.19 106.67 3bqv n GLY 26 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 3bqv n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3bqv s ASP 27 N -1.94 5.27 -0.02 1.61 1.01 0.09 -4.61 116.67 118.08 3bqv s ASP 27 Ca 0.00 1.79 0.08 0.00 0.71 0.00 0.00 52.55 55.12 3bqv s ASP 27 Cb 0.00 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.39 3bqv s ASP 27 CO 0.00 -1.51 -0.26 -0.89 0.21 0.00 0.00 175.17 172.72 3bqv s THR 28 N -2.71 2.04 -0.13 -1.27 2.01 -0.22 -1.34 115.64 114.02 3bqv s THR 28 Ca 0.62 -1.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.50 3bqv s THR 28 Cb -0.16 -1.70 -0.02 0.00 0.01 0.00 0.00 72.50 70.62 3bqv s THR 28 CO 0.47 0.58 -0.08 -0.69 -0.69 0.00 0.00 174.62 174.21 3bqv s VAL 29 N -0.55 3.57 -0.21 3.82 1.01 -0.30 -0.60 120.40 127.13 3bqv s VAL 29 Ca 0.08 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.59 3bqv s VAL 29 Cb -0.10 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.80 3bqv s VAL 29 CO -0.00 0.53 -0.10 -0.75 0.00 0.00 0.00 175.10 174.77 3bqv s LYS 30 N 0.11 2.01 0.05 2.72 2.20 -0.06 -0.97 119.74 125.80 3bqv s LYS 30 Ca -0.03 -0.94 -0.22 0.00 -0.36 0.00 0.00 55.97 54.41 3bqv s LYS 30 Cb -0.14 -2.52 -0.06 0.00 -1.51 0.00 0.00 37.83 33.60 3bqv s LYS 30 CO 0.03 -0.47 0.67 -1.58 -0.36 0.00 0.00 175.35 173.64 3bqv s TRP 31 N 1.35 3.75 -0.05 4.03 0.51 0.11 -1.00 118.94 127.64 3bqv s TRP 31 Ca -0.03 1.35 0.01 0.00 -2.12 0.00 0.00 56.10 55.31 3bqv s TRP 31 Cb -0.17 -2.68 0.02 0.00 -0.81 0.00 0.00 33.47 29.83 3bqv s TRP 31 CO -0.07 0.39 -0.04 0.08 -0.51 0.00 0.00 176.95 176.79 3bqv s VAL 32 N -0.43 0.56 0.18 4.03 1.01 -0.61 -0.63 120.40 124.52 3bqv s VAL 32 Ca 0.34 -0.12 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 3bqv s VAL 32 Cb -0.20 -0.59 -0.13 0.00 0.00 0.00 0.00 36.38 35.46 3bqv s VAL 32 CO 0.20 0.24 1.62 0.59 0.00 0.00 0.00 175.10 177.75 3bqv n ASN 33 N 4.17 3.39 0.02 3.32 3.02 0.02 -0.70 115.26 128.50 3bqv n ASN 33 Ca -0.23 1.08 -0.01 0.00 -0.03 0.00 0.00 54.58 55.40 3bqv n ASN 33 Cb 0.51 -1.48 -0.00 0.00 -0.61 0.00 0.00 39.78 38.20 3bqv n ASN 33 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bqv n ASN 34 N 3.50 0.79 -4.02 6.41 5.15 -0.12 -2.66 115.26 124.30 3bqv n ASN 34 Ca 0.16 0.11 -0.17 0.00 -0.60 0.00 0.00 54.58 54.08 3bqv n ASN 34 Cb 0.31 -0.27 -0.14 0.00 -0.53 0.00 0.00 39.78 39.15 3bqv n ASN 34 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3bqv s LYS 35 N -1.72 0.61 -1.17 1.20 -0.14 -0.97 -4.84 119.74 112.71 3bqv s LYS 35 Ca -0.02 -0.41 -0.06 0.00 -1.36 0.00 0.00 55.97 54.12 3bqv s LYS 35 Cb 0.00 -0.56 -0.03 0.00 -1.68 0.00 0.00 37.83 35.57 3bqv s LYS 35 CO 0.03 0.14 0.85 1.28 -0.76 0.00 0.00 175.35 176.90 3bqv n LEU 36 N 2.52 -4.09 -4.69 3.17 4.77 -1.26 -4.31 117.00 113.12 3bqv n LEU 36 Ca -0.15 -0.78 -0.29 0.00 -0.03 0.00 0.00 56.01 54.75 3bqv n LEU 36 Cb 0.57 -2.89 0.16 0.00 -2.33 0.00 0.00 43.42 38.93 3bqv n LEU 36 CO 0.24 0.31 0.65 -2.16 -1.33 0.00 0.00 177.39 175.10 3bqv s PRO 37 N -5.33 0.85 0.45 3.23 0.04 -1.26 -4.74 135.00 128.24 3bqv s PRO 37 Ca 0.24 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 61.79 3bqv s PRO 37 Cb -0.05 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.62 3bqv s PRO 37 CO 0.78 -2.50 0.96 -1.25 0.04 0.00 0.00 177.00 175.04 3bqv s PRO 38 N -4.93 4.14 0.22 0.56 0.04 -1.26 -5.03 135.00 128.74 3bqv s PRO 38 Ca 0.64 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.86 3bqv s PRO 38 Cb -0.18 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 3bqv s PRO 38 CO 0.57 -0.11 -0.13 -1.01 0.04 0.00 0.00 177.00 176.37 3bqv s HIS 39 N -2.26 1.75 0.31 0.56 3.76 -1.09 -4.87 115.29 113.45 3bqv s HIS 39 Ca 0.62 -0.60 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 3bqv s HIS 39 Cb -0.10 -0.86 -0.03 0.00 1.11 0.00 0.00 32.58 32.71 3bqv s HIS 39 CO 0.17 0.34 0.24 0.27 -0.85 0.00 0.00 174.74 174.91 3bqv n ASN 40 N -0.42 -0.42 -3.76 1.40 6.94 -1.26 -0.74 115.26 116.99 3bqv n ASN 40 Ca -0.07 -3.01 -0.29 0.00 -0.02 0.00 0.00 54.58 51.19 3bqv n ASN 40 Cb 0.61 1.47 -0.16 0.00 -2.36 0.00 0.00 39.78 39.34 3bqv n ASN 40 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3bqv s ILE 41 N -3.21 0.74 -0.14 1.53 1.09 -1.01 -4.06 121.20 116.14 3bqv s ILE 41 Ca 0.35 -0.83 0.02 0.00 -1.10 0.00 0.00 60.65 59.08 3bqv s ILE 41 Cb 0.02 -1.28 0.01 0.00 -1.06 0.00 0.00 42.46 40.14 3bqv s ILE 41 CO 0.24 -0.29 -0.20 -0.76 -0.10 0.00 0.00 174.94 173.83 3bqv s LEU 42 N 1.74 2.23 -0.02 2.97 1.43 0.07 -0.09 118.68 127.00 3bqv s LEU 42 Ca 0.00 -0.56 -0.22 0.00 -1.03 0.00 0.00 54.13 52.32 3bqv s LEU 42 Cb -0.17 -1.48 -0.05 0.00 0.03 0.00 0.00 46.19 44.52 3bqv s LEU 42 CO -0.11 0.09 0.66 -0.36 0.23 0.00 0.00 176.35 176.85 3bqv s PHE 43 N 0.77 3.65 -0.23 0.29 0.08 -1.26 -0.51 117.98 120.78 3bqv s PHE 43 Ca -0.07 1.26 -0.29 0.00 0.12 0.00 0.00 56.93 57.94 3bqv s PHE 43 Cb -0.16 -2.72 -0.01 0.00 -0.57 0.00 0.00 43.02 39.57 3bqv s PHE 43 CO -0.00 0.24 1.30 0.00 -0.10 0.00 0.00 175.22 176.65 3bqv s ALA 44 N 0.22 3.51 0.39 5.36 0.00 -0.78 -4.76 121.76 125.70 3bqv s ALA 44 Ca 0.34 0.31 0.27 0.00 0.00 0.00 0.00 51.96 52.88 3bqv s ALA 44 Cb -0.18 -3.70 1.41 0.00 0.00 0.00 0.00 23.12 20.64 3bqv s ALA 44 CO 0.18 -1.47 2.05 0.00 0.00 0.00 0.00 175.76 176.52 3bqv h ALA 45 N 8.81 1.27 -0.00 0.00 0.00 -1.90 0.21 119.26 127.65 3bqv h ALA 45 Ca -0.27 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3bqv h ALA 45 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3bqv h ALA 45 CO 1.00 0.16 -0.06 1.63 0.00 0.00 0.00 179.25 181.98 3bqv n LYS 46 N -3.63 0.45 -1.38 0.00 4.76 -1.26 -3.22 118.16 113.88 3bqv n LYS 46 Ca -0.02 -0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.33 3bqv n LYS 46 Cb 0.25 -1.50 0.11 0.00 -1.84 0.00 0.00 35.03 32.05 3bqv n LYS 46 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3bqv n GLN 47 N -1.21 1.68 -4.37 1.97 1.13 0.72 -4.79 117.38 112.51 3bqv n GLN 47 Ca 0.13 -3.22 -0.19 0.00 -1.94 0.00 0.00 57.00 51.78 3bqv n GLN 47 Cb 0.27 -1.39 -0.10 0.00 0.11 0.00 0.00 30.24 29.13 3bqv n GLN 47 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3bqv s VAL 48 N -2.85 1.78 0.33 5.09 -7.23 -1.12 -1.51 120.40 114.89 3bqv s VAL 48 Ca 0.39 -2.21 -0.28 0.00 -1.81 0.00 0.00 61.98 58.06 3bqv s VAL 48 Cb 0.38 -2.14 -0.12 0.00 0.56 0.00 0.00 36.38 35.05 3bqv s VAL 48 CO -0.07 -0.52 1.33 -2.65 -0.31 0.00 0.00 175.10 172.88 3bqv n PRO 49 N -0.44 2.20 -0.98 4.82 -0.02 -1.26 -1.31 135.00 138.01 3bqv n PRO 49 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 3bqv n PRO 49 Cb 0.61 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 3bqv n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqv n GLY 50 N 0.93 0.28 4.36 -1.23 0.00 -1.26 -3.40 105.19 104.87 3bqv n GLY 50 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3bqv n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bqv n ALA 51 N 1.00 -1.47 -2.61 4.61 0.00 -0.43 -4.87 120.51 116.75 3bqv n ALA 51 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.81 3bqv n ALA 51 Cb 0.22 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.30 3bqv n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3bqv s SER 52 N -3.61 6.69 0.21 0.00 0.15 -1.20 -4.65 113.70 111.30 3bqv s SER 52 Ca 0.56 0.64 -0.08 0.00 0.70 0.00 0.00 55.95 57.76 3bqv s SER 52 Cb -0.32 -2.45 0.16 0.00 -1.71 0.00 0.00 66.02 61.70 3bqv s SER 52 CO 0.98 -0.78 1.80 0.50 1.20 0.00 0.00 173.24 176.95 3bqv h LYS 53 N 8.33 1.14 -0.33 5.44 3.64 -1.90 -0.88 116.57 132.01 3bqv h LYS 53 Ca -0.23 -0.17 0.04 0.00 -1.27 0.00 0.00 60.65 59.02 3bqv h LYS 53 Cb 1.08 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 3bqv h LYS 53 CO 0.95 0.88 0.10 1.49 -2.27 0.00 0.00 179.45 180.60 3bqv h GLU 54 N 1.12 0.22 -0.19 1.90 4.81 -1.98 0.15 114.58 120.61 3bqv h GLU 54 Ca 0.27 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 3bqv h GLU 54 Cb 0.12 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3bqv h GLU 54 CO -0.03 0.15 -0.02 1.25 -0.73 0.00 0.00 179.01 179.62 3bqv h LEU 55 N 0.23 0.35 -0.68 1.64 5.85 -1.89 -0.11 115.31 120.69 3bqv h LEU 55 Ca 0.15 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.54 3bqv h LEU 55 Cb 0.14 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3bqv h LEU 55 CO -0.18 0.60 0.44 0.00 -0.34 0.00 0.00 178.44 178.97 3bqv h ALA 56 N 0.76 0.87 -0.49 1.25 0.00 -1.01 -1.91 119.26 118.73 3bqv h ALA 56 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3bqv h ALA 56 Cb 0.44 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3bqv h ALA 56 CO 0.01 0.31 -0.01 -0.44 0.00 0.00 0.00 179.25 179.12 3bqv h ASP 57 N 0.93 0.79 -0.43 0.00 3.32 -0.57 -2.35 116.42 118.11 3bqv h ASP 57 Ca 0.25 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3bqv h ASP 57 Cb -0.08 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3bqv h ASP 57 CO -0.05 0.86 0.02 0.50 -1.72 0.00 0.00 179.24 178.85 3bqv h LYS 58 N 0.76 0.82 0.00 3.56 3.64 -0.67 -3.02 116.57 121.65 3bqv h LYS 58 Ca 0.15 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3bqv h LYS 58 Cb 0.48 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 3bqv h LYS 58 CO 0.02 0.81 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.78 3bqv h LEU 59 N 0.77 0.00-10.09 5.20 3.38 -1.16 -3.47 115.31 109.94 3bqv h LEU 59 Ca 0.15 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.66 3bqv h LEU 59 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 3bqv h LEU 59 CO 0.02 0.05 0.37 -0.44 0.09 0.00 0.00 178.44 178.53 3bqv s SER 60 N -6.14 6.48 -0.64 -0.43 0.01 -0.90 -4.88 113.70 107.19 3bqv s SER 60 Ca 0.06 1.83 0.04 0.00 1.31 0.00 0.00 55.95 59.20 3bqv s SER 60 Cb 0.06 -2.55 0.16 0.00 0.21 0.00 0.00 66.02 63.89 3bqv s SER 60 CO 0.69 -0.68 0.41 -2.28 0.41 0.00 0.00 173.24 171.79 3bqv s HIS 61 N -2.11 3.44 0.22 2.43 2.46 0.86 -4.98 115.29 117.62 3bqv s HIS 61 Ca 0.65 -3.26 0.18 0.00 0.47 0.00 0.00 55.06 53.09 3bqv s HIS 61 Cb -0.14 -2.78 0.68 0.00 -0.13 0.00 0.00 32.58 30.22 3bqv s HIS 61 CO 0.20 -0.63 1.75 0.66 -2.47 0.00 0.00 174.74 174.25 3bqv h SER 62 N 5.85 0.00 -3.00 9.88 4.64 -1.96 -2.67 113.55 126.30 3bqv h SER 62 Ca 0.06 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.85 3bqv h SER 62 Cb 0.81 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.95 3bqv h SER 62 CO 0.71 0.39 0.87 -1.10 -0.87 0.00 0.00 176.83 176.83 3bqv s GLN 63 N -3.70 4.21 0.30 4.77 -0.21 -1.26 -4.86 119.66 118.90 3bqv s GLN 63 Ca -0.01 2.40 -0.29 0.00 0.02 0.00 0.00 55.36 57.48 3bqv s GLN 63 Cb 0.12 -3.12 -0.10 0.00 1.00 0.00 0.00 33.01 30.90 3bqv s GLN 63 CO 0.69 -0.58 1.44 -0.51 -2.12 0.00 0.00 175.29 174.21 3bqv s LEU 64 N 0.59 4.38 -0.45 2.90 1.43 -1.26 -4.74 118.68 121.53 3bqv s LEU 64 Ca 0.67 2.79 -0.12 0.00 -1.03 0.00 0.00 54.13 56.44 3bqv s LEU 64 Cb -0.44 -3.64 0.07 0.00 0.03 0.00 0.00 46.19 42.21 3bqv s LEU 64 CO 0.36 -0.73 0.33 -0.04 0.23 0.00 0.00 176.35 176.50 3bqv s MET 65 N -1.08 2.80 0.04 1.70 -1.94 0.08 -4.95 119.30 115.96 3bqv s MET 65 Ca 0.56 -1.40 0.17 0.00 -1.71 0.00 0.00 55.69 53.31 3bqv s MET 65 Cb -0.43 -3.96 -0.15 0.00 2.01 0.00 0.00 34.83 32.29 3bqv s MET 65 CO 0.50 -0.99 0.77 1.19 -0.01 0.00 0.00 175.02 176.49 3bqv n PHE 66 N 5.07 0.93 -2.73 -0.03 3.72 -1.26 -2.68 117.46 120.48 3bqv n PHE 66 Ca -0.11 0.31 -0.40 0.00 -0.05 0.00 0.00 57.45 57.20 3bqv n PHE 66 Cb 0.43 -1.08 -0.06 0.00 -0.94 0.00 0.00 39.48 37.83 3bqv n PHE 66 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3bqv s SER 67 N -5.77 7.63 0.14 4.37 0.01 -1.26 -4.75 113.70 114.06 3bqv s SER 67 Ca -0.03 1.97 -0.35 0.00 1.31 0.00 0.00 55.95 58.85 3bqv s SER 67 Cb 0.09 -2.61 -0.15 0.00 0.21 0.00 0.00 66.02 63.55 3bqv s SER 67 CO 0.82 0.14 1.46 -2.65 0.41 0.00 0.00 173.24 173.41 3bqv n PRO 68 N 1.47 1.71 -1.07 12.44 -0.02 -1.26 -1.45 135.00 146.83 3bqv n PRO 68 Ca -0.02 0.62 -0.02 0.00 -2.02 0.00 0.00 63.50 62.05 3bqv n PRO 68 Cb 0.47 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.62 3bqv n PRO 68 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3bqv n GLY 69 N 2.94 0.30 3.70 -1.23 0.00 -1.09 -4.96 105.19 104.85 3bqv n GLY 69 Ca 0.17 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3bqv n GLY 69 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3bqv n GLU 70 N -0.03 2.13 -4.24 1.61 2.13 -0.53 -4.46 120.64 117.25 3bqv n GLU 70 Ca -0.02 0.75 -0.19 0.00 0.66 0.00 0.00 57.16 58.35 3bqv n GLU 70 Cb 0.44 -2.34 -0.11 0.00 0.27 0.00 0.00 31.44 29.69 3bqv n GLU 70 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3bqv s SER 71 N -0.32 2.06 -0.01 4.31 1.04 -1.26 -0.80 113.70 118.71 3bqv s SER 71 Ca 0.56 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.23 3bqv s SER 71 Cb -0.56 -0.08 0.02 0.00 0.10 0.00 0.00 66.02 65.50 3bqv s SER 71 CO 0.62 -0.10 0.01 -0.47 0.98 0.00 0.00 173.24 174.28 3bqv s TYR 72 N -1.84 0.09 0.04 5.02 5.04 0.20 -4.99 117.35 120.91 3bqv s TYR 72 Ca 0.07 0.06 0.04 0.00 -2.44 0.00 0.00 57.07 54.79 3bqv s TYR 72 Cb -0.07 -0.19 -0.02 0.00 0.35 0.00 0.00 41.96 42.03 3bqv s TYR 72 CO 0.03 -0.06 -0.11 -1.83 -1.34 0.00 0.00 175.55 172.24 3bqv s GLU 73 N 0.66 0.76 -0.13 4.97 -1.05 -1.26 0.07 118.70 122.72 3bqv s GLU 73 Ca -0.06 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.09 3bqv s GLU 73 Cb -0.08 -0.70 0.01 0.00 -0.44 0.00 0.00 34.13 32.91 3bqv s GLU 73 CO -0.02 0.17 -0.23 0.42 0.95 0.00 0.00 175.26 176.56 3bqv s ILE 74 N -0.93 2.08 -0.26 1.83 1.01 -0.14 -4.99 121.20 119.79 3bqv s ILE 74 Ca -0.02 -0.99 -0.12 0.00 0.00 0.00 0.00 60.65 59.53 3bqv s ILE 74 Cb -0.08 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.53 3bqv s ILE 74 CO 0.01 0.55 0.23 -0.89 0.00 0.00 0.00 174.94 174.84 3bqv s THR 75 N 0.65 5.29 -1.25 2.92 2.01 -1.26 -1.15 115.64 122.83 3bqv s THR 75 Ca -0.11 0.29 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 3bqv s THR 75 Cb -0.16 -3.57 0.13 0.00 0.01 0.00 0.00 72.50 68.91 3bqv s THR 75 CO 0.02 0.26 1.59 0.49 -0.69 0.00 0.00 174.62 176.29 3bqv n PHE 76 N 4.87 4.72 -1.16 4.92 3.72 -0.45 -4.97 117.46 129.11 3bqv n PHE 76 Ca -0.13 -3.14 -0.20 0.00 -0.05 0.00 0.00 57.45 53.94 3bqv n PHE 76 Cb 0.52 -2.35 0.16 0.00 -0.94 0.00 0.00 39.48 36.87 3bqv n PHE 76 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3bqv n SER 77 N 6.52 -1.03 0.19 4.37 7.64 -1.26 -1.06 113.62 128.99 3bqv n SER 77 Ca 0.42 -1.09 0.14 0.00 1.01 0.00 0.00 58.87 59.34 3bqv n SER 77 Cb 0.43 -0.67 0.64 0.00 -1.01 0.00 0.00 64.21 63.60 3bqv n SER 77 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3bqv h SER 78 N -1.77 0.00 -0.08 6.43 0.02 -1.99 -1.19 113.55 114.98 3bqv h SER 78 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 3bqv h SER 78 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3bqv h SER 78 CO 0.19 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 174.98 3bqv n ASP 79 N -2.49 0.60 -4.25 3.07 5.75 -1.26 -4.52 116.55 113.45 3bqv n ASP 79 Ca 0.00 -1.72 -0.40 0.00 -0.01 0.00 0.00 54.79 52.66 3bqv n ASP 79 Cb 0.16 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.10 3bqv n ASP 79 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 3bqv s PHE 80 N -1.89 3.37 0.76 2.11 0.08 -0.45 -5.10 117.98 116.86 3bqv s PHE 80 Ca 0.20 -1.66 -0.14 0.00 0.12 0.00 0.00 56.93 55.46 3bqv s PHE 80 Cb 0.10 -3.09 0.05 0.00 -0.57 0.00 0.00 43.02 39.51 3bqv s PHE 80 CO 0.16 -0.89 1.16 -2.14 -0.10 0.00 0.00 175.22 173.41 3bqv s PRO 81 N 1.39 2.07 0.58 0.24 0.02 -1.26 -4.90 135.00 133.14 3bqv s PRO 81 Ca 0.04 1.58 -0.21 0.00 0.02 0.00 0.00 61.00 62.43 3bqv s PRO 81 Cb -0.24 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.40 3bqv s PRO 81 CO 0.01 -1.85 1.30 0.00 -0.33 0.00 0.00 177.00 176.13 3bqv n ALA 82 N -3.03 1.31 0.00 -1.55 0.00 -1.26 -4.82 120.51 111.16 3bqv n ALA 82 Ca 0.12 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3bqv n ALA 82 Cb 0.51 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.64 3bqv n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bqv n GLY 83 N 0.86 0.99 3.88 0.00 0.00 -0.60 -4.82 105.19 105.50 3bqv n GLY 83 Ca 0.12 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 3bqv n GLY 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3bqv s THR 84 N -1.27 5.39 -0.22 2.61 -4.23 -1.26 -0.36 115.64 116.30 3bqv s THR 84 Ca 0.00 0.14 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3bqv s THR 84 Cb 0.00 -3.51 0.06 0.00 1.34 0.00 0.00 72.50 70.38 3bqv s THR 84 CO 0.00 0.46 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.17 3bqv s TYR 85 N -1.20 2.24 -0.14 3.99 2.02 0.14 -4.00 117.35 120.41 3bqv s TYR 85 Ca 0.23 -1.61 -0.10 0.00 -0.37 0.00 0.00 57.07 55.21 3bqv s TYR 85 Cb -0.13 -1.53 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 3bqv s TYR 85 CO 0.12 -0.74 0.21 0.99 -1.57 0.00 0.00 175.55 174.55 3bqv s THR 86 N 1.45 5.38 0.15 -0.71 2.01 -0.57 -0.31 115.64 123.04 3bqv s THR 86 Ca -0.04 0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.33 3bqv s THR 86 Cb -0.18 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 3bqv s THR 86 CO -0.07 0.51 0.00 -0.72 -0.69 0.00 0.00 174.62 173.66 3bqv s TYR 87 N -0.33 1.08 0.18 4.92 -0.85 -0.15 -1.87 117.35 120.33 3bqv s TYR 87 Ca 0.15 -1.04 -0.10 0.00 -0.52 0.00 0.00 57.07 55.55 3bqv s TYR 87 Cb -0.13 -0.62 -0.01 0.00 0.38 0.00 0.00 41.96 41.59 3bqv s TYR 87 CO 0.04 -0.26 0.32 1.52 -1.52 0.00 0.00 175.55 175.64 3bqv s TYR 88 N -3.73 0.37 -0.26 -3.49 -0.85 0.33 -0.89 117.35 108.84 3bqv s TYR 88 Ca 0.22 -0.73 -0.11 0.00 -0.52 0.00 0.00 57.07 55.93 3bqv s TYR 88 Cb 0.06 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 3bqv s TYR 88 CO 0.02 -0.76 0.19 0.00 -1.52 0.00 0.00 175.55 173.48 3bqv h ALA 90 N 7.88 0.22 -0.81 0.00 0.00 -1.90 0.11 119.26 124.76 3bqv h ALA 90 Ca -0.36 -0.07 0.22 0.00 0.00 0.00 0.00 54.91 54.70 3bqv h ALA 90 Cb 1.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3bqv h ALA 90 CO 0.61 -0.23 0.58 -1.35 0.00 0.00 0.00 179.25 178.86 3bqv h PRO 91 N 0.16 0.08 0.00 0.00 0.11 -1.93 -3.03 132.00 127.39 3bqv h PRO 91 Ca 0.06 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3bqv h PRO 91 Cb 0.10 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 3bqv h PRO 91 CO -0.01 0.05 -0.31 0.72 -0.21 0.00 0.00 178.00 178.24 3bqv n HIS 92 N -4.34 0.00 -0.19 0.65 8.25 -0.93 -4.78 115.22 113.89 3bqv n HIS 92 Ca 0.17 -0.95 -0.07 0.00 -0.26 0.00 0.00 57.72 56.61 3bqv n HIS 92 Cb 0.83 -0.16 0.02 0.00 1.12 0.00 0.00 29.99 31.80 3bqv n HIS 92 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3bqv h ARG 93 N 0.38 0.74 -0.91 -0.41 2.43 -0.66 -2.08 114.38 113.86 3bqv h ARG 93 Ca -0.02 -0.08 0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3bqv h ARG 93 Cb 1.14 -0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 30.47 3bqv h ARG 93 CO 0.01 0.56 0.58 0.78 -1.51 0.00 0.00 179.97 180.39 3bqv h GLY 94 N 0.72 1.29 0.95 2.80 0.00 -1.86 -0.00 103.07 106.97 3bqv h GLY 94 Ca 0.19 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3bqv h GLY 94 CO -0.03 0.10 -0.07 0.00 0.00 0.00 0.00 176.54 176.54 3bqv n ALA 95 N -2.42 2.69 -0.78 3.60 0.00 -0.86 -4.91 120.51 117.83 3bqv n ALA 95 Ca 0.18 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3bqv n ALA 95 Cb 0.45 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3bqv n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bqv n GLY 96 N 1.24 1.10 3.52 0.00 0.00 -0.01 -4.98 105.19 106.05 3bqv n GLY 96 Ca 0.16 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 3bqv n GLY 96 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3bqv s MET 97 N -1.95 3.64 0.05 1.61 -2.45 -0.84 -4.89 119.30 114.46 3bqv s MET 97 Ca 0.00 -1.43 0.02 0.00 -1.25 0.00 0.00 55.69 53.02 3bqv s MET 97 Cb 0.00 -5.22 -0.03 0.00 1.25 0.00 0.00 34.83 30.83 3bqv s MET 97 CO 0.00 -2.06 -0.06 0.08 1.05 0.00 0.00 175.02 174.02 3bqv s VAL 98 N 4.09 0.47 0.22 10.11 1.01 -1.26 -1.40 120.40 133.64 3bqv s VAL 98 Ca 0.42 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 3bqv s VAL 98 Cb -0.01 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3bqv s VAL 98 CO -0.08 -0.52 0.36 -0.83 0.00 0.00 0.00 175.10 174.02 3bqv s GLY 99 N -1.88 0.72 -0.05 4.51 0.00 -0.07 -4.56 107.32 105.98 3bqv s GLY 99 Ca -0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 43.58 3bqv s GLY 99 CO -0.01 -0.84 0.12 1.25 0.00 0.00 0.00 173.10 173.61 3bqv s LYS 100 N -4.04 0.07 -0.16 2.90 2.20 0.59 -0.97 119.74 120.32 3bqv s LYS 100 Ca 0.25 0.31 -0.04 0.00 -0.36 0.00 0.00 55.97 56.13 3bqv s LYS 100 Cb 0.02 -0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.15 3bqv s LYS 100 CO 0.08 -0.15 -0.04 0.42 -0.36 0.00 0.00 175.35 175.30 3bqv s ILE 101 N 1.02 3.79 -0.23 5.43 1.01 0.58 -1.83 121.20 130.96 3bqv s ILE 101 Ca -0.08 -0.39 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 3bqv s ILE 101 Cb -0.11 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 3bqv s ILE 101 CO -0.05 0.48 0.05 -0.89 0.00 0.00 0.00 174.94 174.53 3bqv s THR 102 N 0.52 4.19 -0.32 2.92 2.01 -0.01 0.27 115.64 125.22 3bqv s THR 102 Ca -0.03 -0.22 -0.15 0.00 0.31 0.00 0.00 61.69 61.60 3bqv s THR 102 Cb -0.14 -2.94 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 3bqv s THR 102 CO 0.03 0.37 0.36 -0.69 -0.69 0.00 0.00 174.62 173.99 3bqv s VAL 103 N 1.40 5.18 0.49 3.82 1.01 0.51 -0.28 120.40 132.52 3bqv s VAL 103 Ca 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 3bqv s VAL 103 Cb -0.15 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 3bqv s VAL 103 CO 0.03 0.00 0.78 -1.61 0.00 0.00 0.00 175.10 174.30 3bqv s GLU 104 N 2.02 3.42 0.00 2.72 2.02 -0.33 -1.56 118.70 127.00 3bqv s GLU 104 Ca 0.12 0.09 0.00 0.00 0.02 0.00 0.00 54.97 55.21 3bqv s GLU 104 Cb -0.16 -2.39 0.00 0.00 0.10 0.00 0.00 34.13 31.68 3bqv s GLU 104 CO 0.11 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.55