#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqh s GLN 2 N 0.00 0.69 0.37 6.28 0.74 -1.26 -4.73 119.66 121.75 1bqh s GLN 2 Ca 0.00 -0.05 -0.07 0.00 0.05 0.00 0.00 55.36 55.29 1bqh s GLN 2 Cb 0.00 0.13 -0.05 0.00 1.10 0.00 0.00 33.01 34.18 1bqh s GLN 2 CO 0.00 -1.05 0.68 0.15 -0.55 0.00 0.00 175.29 174.51 1bqh s LYS 3 N 2.11 3.67 -0.06 1.67 1.02 -1.10 -4.86 119.74 122.19 1bqh s LYS 3 Ca 0.15 0.20 -0.14 0.00 0.02 0.00 0.00 55.97 56.20 1bqh s LYS 3 Cb -0.05 -2.50 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 1bqh s LYS 3 CO -0.12 0.05 0.36 -0.08 -0.92 0.00 0.00 175.35 174.63 1bqh s THR 4 N -2.31 5.16 0.30 2.17 -1.32 -1.24 -2.64 115.64 115.76 1bqh s THR 4 Ca 0.47 0.72 -0.28 0.00 -1.21 0.00 0.00 61.69 61.39 1bqh s THR 4 Cb -0.10 -3.67 -0.14 0.00 -1.51 0.00 0.00 72.50 67.08 1bqh s THR 4 CO 0.33 0.52 0.98 -2.65 -2.21 0.00 0.00 174.62 171.60 1bqh n PRO 5 N 2.35 1.30 -3.66 7.08 -0.01 -1.24 -4.52 135.00 136.30 1bqh n PRO 5 Ca -0.14 0.46 -0.30 0.00 -0.01 0.00 0.00 63.50 63.51 1bqh n PRO 5 Cb 0.52 -1.82 -0.09 0.00 -0.01 0.00 0.00 33.50 32.10 1bqh n PRO 5 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 175.50 176.53 1bqh n GLN 6 N 0.69 2.37 -2.05 -0.52 1.13 0.41 -4.94 117.38 114.46 1bqh n GLN 6 Ca 0.10 -4.55 -0.36 0.00 -1.94 0.00 0.00 57.00 50.25 1bqh n GLN 6 Cb 0.32 -2.32 0.02 0.00 0.11 0.00 0.00 30.24 28.38 1bqh n GLN 6 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1bqh s ILE 7 N -1.81 2.69 -0.26 5.09 1.09 -1.26 -3.10 121.20 123.64 1bqh s ILE 7 Ca 0.30 0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 60.29 1bqh s ILE 7 Cb 0.01 -3.20 0.15 0.00 -1.06 0.00 0.00 42.46 38.36 1bqh s ILE 7 CO -0.10 -0.07 0.45 -1.58 -0.10 0.00 0.00 174.94 173.54 1bqh s GLN 8 N -3.16 0.42 -0.21 2.79 0.74 -0.81 -4.97 119.66 114.46 1bqh s GLN 8 Ca 0.74 0.67 -0.10 0.00 0.05 0.00 0.00 55.36 56.71 1bqh s GLN 8 Cb -0.31 -0.14 -0.05 0.00 1.10 0.00 0.00 33.01 33.61 1bqh s GLN 8 CO 0.35 -0.65 0.14 0.08 -0.55 0.00 0.00 175.29 174.65 1bqh s VAL 9 N 2.65 5.40 0.19 1.34 1.01 -1.26 -0.85 120.40 128.87 1bqh s VAL 9 Ca 0.15 0.20 -0.23 0.00 0.00 0.00 0.00 61.98 62.10 1bqh s VAL 9 Cb -0.15 -3.48 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1bqh s VAL 9 CO -0.18 0.42 0.73 -0.72 0.00 0.00 0.00 175.10 175.35 1bqh s TYR 10 N 0.52 -0.32 0.09 5.22 1.13 -0.55 -4.40 117.35 119.04 1bqh s TYR 10 Ca 0.08 0.01 -0.02 0.00 -1.41 0.00 0.00 57.07 55.73 1bqh s TYR 10 Cb -0.12 0.63 -0.05 0.00 -1.10 0.00 0.00 41.96 41.33 1bqh s TYR 10 CO -0.00 -0.96 0.28 -1.54 -2.51 0.00 0.00 175.55 170.81 1bqh s SER 11 N -2.81 6.42 0.07 -0.18 1.04 -1.26 0.11 113.70 117.08 1bqh s SER 11 Ca 0.07 0.41 -0.33 0.00 0.48 0.00 0.00 55.95 56.58 1bqh s SER 11 Cb -0.03 -2.02 -0.17 0.00 0.10 0.00 0.00 66.02 63.91 1bqh s SER 11 CO -0.02 0.13 1.51 -0.09 0.98 0.00 0.00 173.24 175.75 1bqh h ARG 12 N 3.04 -0.96 -6.22 4.02 2.43 -0.82 -3.44 114.38 112.42 1bqh h ARG 12 Ca -0.46 0.07 -0.48 0.00 -0.81 0.00 0.00 59.98 58.30 1bqh h ARG 12 Cb 1.16 0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 1bqh h ARG 12 CO 0.74 -0.64 -0.42 -1.01 -1.51 0.00 0.00 179.97 177.13 1bqh s HIS 13 N -5.63 2.92 -0.07 2.20 3.76 -1.26 -5.04 115.29 112.17 1bqh s HIS 13 Ca -0.17 -0.31 -0.36 0.00 -0.15 0.00 0.00 55.06 54.07 1bqh s HIS 13 Cb 0.03 -1.88 -0.14 0.00 1.11 0.00 0.00 32.58 31.70 1bqh s HIS 13 CO 0.55 0.10 1.68 -0.35 -0.85 0.00 0.00 174.74 175.87 1bqh n PRO 14 N -1.45 1.66 -1.70 8.40 -0.04 -1.26 -4.86 135.00 135.74 1bqh n PRO 14 Ca -0.01 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.64 1bqh n PRO 14 Cb 0.60 -2.35 -0.00 0.00 -0.04 0.00 0.00 33.50 31.71 1bqh n PRO 14 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1bqh n PRO 15 N 4.88 2.11 -3.38 0.54 -0.04 -1.26 -5.00 135.00 132.84 1bqh n PRO 15 Ca 0.22 0.74 -0.06 0.00 -0.04 0.00 0.00 63.50 64.36 1bqh n PRO 15 Cb 0.22 -2.35 -0.07 0.00 -0.04 0.00 0.00 33.50 31.26 1bqh n PRO 15 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1bqh s GLU 16 N -1.96 0.40 0.19 0.54 2.12 -1.26 -5.11 118.70 113.62 1bqh s GLU 16 Ca 0.56 0.78 -0.32 0.00 0.36 0.00 0.00 54.97 56.36 1bqh s GLU 16 Cb -0.55 -0.03 -0.15 0.00 0.26 0.00 0.00 34.13 33.66 1bqh s GLU 16 CO 0.62 -0.54 1.16 0.09 -0.54 0.00 0.00 175.26 176.04 1bqh n ASN 17 N 5.39 1.42 0.00 -1.70 3.02 -1.26 -0.72 115.26 121.41 1bqh n ASN 17 Ca -0.04 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.65 1bqh n ASN 17 Cb 0.50 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 1bqh n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bqh n GLY 18 N 1.94 0.80 3.23 7.41 0.00 -0.44 -5.00 105.19 113.13 1bqh n GLY 18 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1bqh n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bqh s LYS 19 N -0.10 3.01 0.07 1.61 2.20 0.10 -5.02 119.74 121.61 1bqh s LYS 19 Ca 0.00 -0.87 -0.33 0.00 -0.36 0.00 0.00 55.97 54.42 1bqh s LYS 19 Cb 0.00 -2.99 -0.12 0.00 -1.51 0.00 0.00 37.83 33.21 1bqh s LYS 19 CO 0.00 -0.34 1.80 -0.35 -0.36 0.00 0.00 175.35 176.10 1bqh n PRO 20 N 4.71 2.46 -3.57 4.03 -0.04 -1.26 -4.20 135.00 137.14 1bqh n PRO 20 Ca -0.17 0.90 -0.15 0.00 -0.04 0.00 0.00 63.50 64.03 1bqh n PRO 20 Cb 0.48 -2.75 -0.05 0.00 -0.04 0.00 0.00 33.50 31.14 1bqh n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1bqh n ASN 21 N 5.50 0.49 -4.02 3.54 2.85 0.22 -4.98 115.26 118.86 1bqh n ASN 21 Ca 0.19 -2.46 -0.29 0.00 -0.11 0.00 0.00 54.58 51.91 1bqh n ASN 21 Cb 0.33 0.86 -0.17 0.00 1.24 0.00 0.00 39.78 42.05 1bqh n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1bqh s ILE 22 N -2.71 1.52 -0.21 -1.44 1.01 -1.26 0.22 121.20 118.32 1bqh s ILE 22 Ca 0.19 -0.61 -0.21 0.00 0.00 0.00 0.00 60.65 60.02 1bqh s ILE 22 Cb 0.01 -1.42 -0.02 0.00 0.01 0.00 0.00 42.46 41.04 1bqh s ILE 22 CO 0.13 0.45 0.65 -0.22 0.00 0.00 0.00 174.94 175.95 1bqh s LEU 23 N 1.35 4.12 -0.09 2.97 2.96 -0.62 -0.02 118.68 129.35 1bqh s LEU 23 Ca 0.01 0.83 -0.04 0.00 -0.22 0.00 0.00 54.13 54.72 1bqh s LEU 23 Cb -0.13 -2.91 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 1bqh s LEU 23 CO -0.08 -0.31 0.07 0.20 -1.32 0.00 0.00 176.35 174.91 1bqh s ASN 24 N 1.26 5.79 -0.31 3.68 0.01 0.12 -1.46 114.94 124.03 1bqh s ASN 24 Ca 0.29 0.28 0.02 0.00 -0.71 0.00 0.00 52.86 52.74 1bqh s ASN 24 Cb -0.16 -1.75 0.09 0.00 0.41 0.00 0.00 41.25 39.84 1bqh s ASN 24 CO 0.10 0.38 0.04 0.00 -1.51 0.00 0.00 177.10 176.10 1bqh s TYR 26 N 1.19 3.07 -0.22 0.00 5.04 -0.03 -1.14 117.35 125.27 1bqh s TYR 26 Ca 0.07 -0.66 -0.11 0.00 -2.44 0.00 0.00 57.07 53.93 1bqh s TYR 26 Cb -0.19 -3.55 -0.05 0.00 0.35 0.00 0.00 41.96 38.53 1bqh s TYR 26 CO -0.12 -1.03 0.17 0.08 -1.34 0.00 0.00 175.55 173.30 1bqh s VAL 27 N 2.47 5.37 0.38 3.14 1.01 -0.98 -1.93 120.40 129.85 1bqh s VAL 27 Ca 0.13 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.40 1bqh s VAL 27 Cb -0.21 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1bqh s VAL 27 CO 0.10 0.38 0.22 0.42 0.00 0.00 0.00 175.10 176.22 1bqh s THR 28 N 0.76 0.24 -1.39 3.92 -4.23 -1.18 -1.99 115.64 111.77 1bqh s THR 28 Ca 0.09 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 1bqh s THR 28 Cb -0.13 -2.40 0.02 0.00 1.34 0.00 0.00 72.50 71.34 1bqh s THR 28 CO 0.02 0.00 0.63 1.67 -0.54 0.00 0.00 174.62 176.40 1bqh n GLN 29 N -0.79 -4.30 -4.43 3.99 -0.06 -1.14 -0.44 117.38 110.22 1bqh n GLN 29 Ca 0.01 0.52 -0.21 0.00 -2.00 0.00 0.00 57.00 55.33 1bqh n GLN 29 Cb 0.63 -4.97 -0.14 0.00 -4.06 0.00 0.00 30.24 21.70 1bqh n GLN 29 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1bqh s PHE 30 N -3.71 1.23 -0.16 3.69 -0.71 -1.21 -3.62 117.98 113.50 1bqh s PHE 30 Ca 0.13 -0.32 -0.13 0.00 -1.04 0.00 0.00 56.93 55.57 1bqh s PHE 30 Cb -0.06 -0.75 0.05 0.00 -1.21 0.00 0.00 43.02 41.04 1bqh s PHE 30 CO 0.85 0.02 0.41 -1.58 -1.34 0.00 0.00 175.22 173.58 1bqh s HIS 31 N -0.71 -0.50 0.91 3.49 2.46 -1.08 -1.18 115.29 118.68 1bqh s HIS 31 Ca 0.03 1.15 -0.15 0.00 0.47 0.00 0.00 55.06 56.56 1bqh s HIS 31 Cb -0.07 0.19 0.22 0.00 -0.13 0.00 0.00 32.58 32.79 1bqh s HIS 31 CO 0.01 -0.25 0.90 -2.30 -2.47 0.00 0.00 174.74 170.63 1bqh n PRO 32 N 3.29 -2.23 0.07 2.88 -0.02 -1.26 -2.72 135.00 135.02 1bqh n PRO 32 Ca -0.16 -1.43 0.08 0.00 -2.02 0.00 0.00 63.50 59.96 1bqh n PRO 32 Cb 0.57 -1.22 0.35 0.00 -0.02 0.00 0.00 33.50 33.18 1bqh n PRO 32 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1bqh n PRO 33 N -3.86 0.09 -2.22 0.52 -0.04 -1.26 -4.60 135.00 123.63 1bqh n PRO 33 Ca 0.12 0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 63.63 1bqh n PRO 33 Cb 0.46 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.18 1bqh n PRO 33 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1bqh s HIS 34 N -3.21 1.90 0.10 0.54 3.76 -1.26 -4.95 115.29 112.17 1bqh s HIS 34 Ca 0.02 0.52 0.04 0.00 -0.15 0.00 0.00 55.06 55.49 1bqh s HIS 34 Cb 0.06 -4.27 -0.04 0.00 1.11 0.00 0.00 32.58 29.45 1bqh s HIS 34 CO 0.22 -2.23 -0.10 -1.50 -0.85 0.00 0.00 174.74 170.28 1bqh s ILE 35 N 7.77 0.98 -0.21 0.60 2.07 -1.26 -4.56 121.20 126.57 1bqh s ILE 35 Ca 0.57 -1.69 -0.01 0.00 -1.41 0.00 0.00 60.65 58.11 1bqh s ILE 35 Cb -0.11 -1.43 0.06 0.00 0.13 0.00 0.00 42.46 41.11 1bqh s ILE 35 CO 0.20 -0.58 -0.03 -0.70 -1.91 0.00 0.00 174.94 171.92 1bqh s GLU 36 N -2.91 1.30 -0.12 3.50 2.56 -0.01 -4.97 118.70 118.04 1bqh s GLU 36 Ca 0.07 -0.75 -0.01 0.00 0.00 0.00 0.00 54.97 54.28 1bqh s GLU 36 Cb -0.02 -2.36 -0.02 0.00 2.00 0.00 0.00 34.13 33.73 1bqh s GLU 36 CO 0.00 -0.59 -0.09 0.42 -0.56 0.00 0.00 175.26 174.44 1bqh s ILE 37 N 1.57 3.44 0.02 -3.70 1.01 -1.26 0.50 121.20 122.77 1bqh s ILE 37 Ca -0.03 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.11 1bqh s ILE 37 Cb -0.18 -2.45 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1bqh s ILE 37 CO -0.07 0.53 -0.09 -1.10 0.00 0.00 0.00 174.94 174.21 1bqh s GLN 38 N 0.10 0.63 -0.16 2.79 -0.21 0.84 -5.00 119.66 118.65 1bqh s GLN 38 Ca -0.04 -0.48 0.01 0.00 0.02 0.00 0.00 55.36 54.88 1bqh s GLN 38 Cb -0.14 -0.56 0.02 0.00 1.00 0.00 0.00 33.01 33.32 1bqh s GLN 38 CO 0.04 0.14 -0.19 -1.64 -2.12 0.00 0.00 175.29 171.52 1bqh s MET 39 N -0.72 2.81 -0.04 2.91 -1.94 -1.26 -0.18 119.30 120.88 1bqh s MET 39 Ca -0.01 -0.76 0.04 0.00 -1.71 0.00 0.00 55.69 53.25 1bqh s MET 39 Cb -0.06 -2.40 -0.03 0.00 2.01 0.00 0.00 34.83 34.36 1bqh s MET 39 CO 0.00 -0.16 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.19 1bqh s LEU 40 N 1.19 2.65 -0.38 -0.03 1.02 -1.00 0.35 118.68 122.48 1bqh s LEU 40 Ca 0.01 -0.25 -0.04 0.00 0.02 0.00 0.00 54.13 53.88 1bqh s LEU 40 Cb -0.14 -1.53 0.09 0.00 0.02 0.00 0.00 46.19 44.63 1bqh s LEU 40 CO -0.09 0.33 0.16 -0.75 0.02 0.00 0.00 176.35 176.02 1bqh s LYS 41 N -0.80 2.21 -0.74 1.70 2.20 0.16 -1.03 119.74 123.45 1bqh s LYS 41 Ca 0.12 -1.61 -0.00 0.00 -0.36 0.00 0.00 55.97 54.11 1bqh s LYS 41 Cb -0.11 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1bqh s LYS 41 CO 0.01 -0.93 0.62 0.09 -0.36 0.00 0.00 175.35 174.77 1bqh n ASN 42 N 4.65 -2.23 0.00 1.43 3.02 0.34 -2.87 115.26 119.60 1bqh n ASN 42 Ca -0.06 -0.37 0.00 0.00 -0.03 0.00 0.00 54.58 54.11 1bqh n ASN 42 Cb 0.42 -3.31 0.00 0.00 -0.61 0.00 0.00 39.78 36.28 1bqh n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1bqh n GLY 43 N -1.11 0.33 3.47 7.41 0.00 -1.26 -4.98 105.19 109.05 1bqh n GLY 43 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 1bqh n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1bqh s LYS 44 N -0.83 2.66 0.42 1.61 2.20 -1.14 -5.01 119.74 119.64 1bqh s LYS 44 Ca 0.00 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 54.67 1bqh s LYS 44 Cb 0.00 -2.44 -0.09 0.00 -1.51 0.00 0.00 37.83 33.79 1bqh s LYS 44 CO 0.00 0.57 1.37 0.21 -0.36 0.00 0.00 175.35 177.14 1bqh s LYS 45 N -0.58 3.88 -0.17 4.03 2.47 -1.26 0.40 119.74 128.51 1bqh s LYS 45 Ca 0.08 2.30 -0.19 0.00 -1.56 0.00 0.00 55.97 56.60 1bqh s LYS 45 Cb -0.11 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.47 1bqh s LYS 45 CO 0.01 -0.61 0.51 0.42 0.16 0.00 0.00 175.35 175.84 1bqh s ILE 46 N -1.22 5.13 -0.00 5.43 -1.09 0.15 -4.80 121.20 124.81 1bqh s ILE 46 Ca 0.58 0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 59.92 1bqh s ILE 46 Cb -0.41 -3.84 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1bqh s ILE 46 CO 0.53 0.23 0.63 1.55 -1.23 0.00 0.00 174.94 176.65 1bqh h PRO 47 N 7.17 -0.18 -5.49 2.79 0.13 -1.94 -3.39 132.00 131.09 1bqh h PRO 47 Ca -0.37 0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.43 1bqh h PRO 47 Cb 1.16 0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 1bqh h PRO 47 CO 0.75 -0.12 1.13 0.21 -0.23 0.00 0.00 178.00 179.74 1bqh s LYS 48 N -2.56 2.57 -0.25 0.86 2.20 -1.26 -4.89 119.74 116.41 1bqh s LYS 48 Ca -0.03 -1.21 -0.01 0.00 -0.36 0.00 0.00 55.97 54.37 1bqh s LYS 48 Cb 0.00 -5.26 0.03 0.00 -1.51 0.00 0.00 37.83 31.09 1bqh s LYS 48 CO 0.08 -3.90 -0.07 0.08 -0.36 0.00 0.00 175.35 171.18 1bqh s VAL 49 N 10.68 2.76 0.18 4.02 1.01 -1.26 -4.53 120.40 133.26 1bqh s VAL 49 Ca 0.68 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 61.31 1bqh s VAL 49 Cb -0.01 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.89 1bqh s VAL 49 CO 0.13 0.20 0.82 -1.61 0.00 0.00 0.00 175.10 174.63 1bqh s GLU 50 N 1.30 4.64 -0.20 2.72 8.01 -0.07 -4.91 118.70 130.20 1bqh s GLU 50 Ca -0.00 1.24 0.01 0.00 0.01 0.00 0.00 54.97 56.23 1bqh s GLU 50 Cb -0.17 -3.27 0.03 0.00 -4.31 0.00 0.00 34.13 26.42 1bqh s GLU 50 CO -0.05 0.55 -0.16 -1.64 0.01 0.00 0.00 175.26 173.97 1bqh s MET 51 N -1.12 2.59 0.89 1.61 -1.94 -1.26 -1.22 119.30 118.85 1bqh s MET 51 Ca 0.37 -0.92 -0.11 0.00 -1.71 0.00 0.00 55.69 53.32 1bqh s MET 51 Cb -0.24 -2.56 0.13 0.00 2.01 0.00 0.00 34.83 34.17 1bqh s MET 51 CO 0.28 -0.33 1.10 -1.54 -0.01 0.00 0.00 175.02 174.51 1bqh s SER 52 N 1.29 3.37 0.20 3.03 1.04 -0.29 -4.93 113.70 117.41 1bqh s SER 52 Ca 0.01 1.72 -0.31 0.00 0.48 0.00 0.00 55.95 57.86 1bqh s SER 52 Cb -0.15 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.52 1bqh s SER 52 CO -0.10 -2.74 1.45 -1.81 0.98 0.00 0.00 173.24 171.02 1bqh s ASP 53 N -3.17 6.70 0.56 7.02 1.01 -1.26 -4.61 116.67 122.92 1bqh s ASP 53 Ca 0.64 2.56 -0.17 0.00 0.71 0.00 0.00 52.55 56.29 1bqh s ASP 53 Cb -0.19 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.08 1bqh s ASP 53 CO 0.58 -0.70 1.05 -0.32 0.21 0.00 0.00 175.17 175.98 1bqh s MET 54 N 0.34 3.48 0.38 8.23 -2.45 -1.26 -4.78 119.30 123.24 1bqh s MET 54 Ca 0.63 1.24 -0.13 0.00 -1.25 0.00 0.00 55.69 56.17 1bqh s MET 54 Cb -0.41 -2.05 0.05 0.00 1.25 0.00 0.00 34.83 33.67 1bqh s MET 54 CO 0.37 -0.68 0.74 -1.13 1.05 0.00 0.00 175.02 175.36 1bqh n SER 55 N -1.72 -2.14 -3.87 1.11 3.41 -1.14 -5.03 113.62 104.24 1bqh n SER 55 Ca 0.09 -2.60 -0.09 0.00 -0.26 0.00 0.00 58.87 56.01 1bqh n SER 55 Cb 0.53 3.60 -0.07 0.00 -0.26 0.00 0.00 64.21 68.01 1bqh n SER 55 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1bqh s PHE 56 N -2.39 0.18 0.56 7.33 -0.71 -1.26 -0.82 117.98 120.87 1bqh s PHE 56 Ca 0.17 -0.61 0.06 0.00 -1.04 0.00 0.00 56.93 55.51 1bqh s PHE 56 Cb -0.04 -0.07 0.07 0.00 -1.21 0.00 0.00 43.02 41.77 1bqh s PHE 56 CO 0.13 -0.55 0.78 -1.54 -1.34 0.00 0.00 175.22 172.70 1bqh s SER 57 N -2.87 5.11 0.48 1.98 1.04 -0.74 -4.97 113.70 113.72 1bqh s SER 57 Ca 0.06 -0.51 0.25 0.00 0.48 0.00 0.00 55.95 56.22 1bqh s SER 57 Cb 0.05 -0.19 1.33 0.00 0.10 0.00 0.00 66.02 67.31 1bqh s SER 57 CO -0.10 -1.28 1.72 0.50 0.98 0.00 0.00 173.24 175.06 1bqh h LYS 58 N 0.12 0.00 -0.68 4.02 3.64 -2.03 0.15 116.57 121.80 1bqh h LYS 58 Ca -0.36 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1bqh h LYS 58 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 1bqh h LYS 58 CO 0.43 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.21 1bqh n ASP 59 N -2.50 4.10 0.00 4.20 5.75 -1.26 -4.91 116.55 121.94 1bqh n ASP 59 Ca -0.02 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.20 1bqh n ASP 59 Cb 0.24 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1bqh n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bqh n TRP 60 N 0.51 0.00 -2.75 2.11 7.02 0.54 -4.97 117.44 119.91 1bqh n TRP 60 Ca 0.19 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.33 1bqh n TRP 60 Cb 0.85 -0.78 -0.06 0.00 -2.42 0.00 0.00 31.31 28.90 1bqh n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1bqh s SER 61 N -2.53 6.87 0.48 -0.99 1.04 -1.26 -4.79 113.70 112.53 1bqh s SER 61 Ca 0.00 1.77 -0.03 0.00 0.48 0.00 0.00 55.95 58.17 1bqh s SER 61 Cb 0.00 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.56 1bqh s SER 61 CO 0.00 -0.41 0.75 -0.36 0.98 0.00 0.00 173.24 174.20 1bqh s PHE 62 N -2.04 3.36 -0.21 5.02 0.40 -0.32 -1.80 117.98 122.39 1bqh s PHE 62 Ca 0.61 0.52 -0.13 0.00 -0.60 0.00 0.00 56.93 57.33 1bqh s PHE 62 Cb -0.12 -2.37 0.07 0.00 0.51 0.00 0.00 43.02 41.10 1bqh s PHE 62 CO 0.16 -0.40 0.52 1.52 0.70 0.00 0.00 175.22 177.73 1bqh s TYR 63 N -2.69 -0.76 0.04 0.36 -0.85 -0.00 -2.88 117.35 110.57 1bqh s TYR 63 Ca 0.48 1.59 -0.01 0.00 -0.52 0.00 0.00 57.07 58.62 1bqh s TYR 63 Cb -0.10 0.38 -0.03 0.00 0.38 0.00 0.00 41.96 42.59 1bqh s TYR 63 CO 0.42 -0.40 -0.02 -1.50 -1.52 0.00 0.00 175.55 172.53 1bqh s ILE 64 N 1.34 0.18 -0.18 -3.49 2.07 -0.84 -2.88 121.20 117.40 1bqh s ILE 64 Ca -0.08 -1.48 0.01 0.00 -1.41 0.00 0.00 60.65 57.68 1bqh s ILE 64 Cb -0.07 -1.10 0.02 0.00 0.13 0.00 0.00 42.46 41.44 1bqh s ILE 64 CO -0.13 -0.82 -0.18 -0.22 -1.91 0.00 0.00 174.94 171.68 1bqh s LEU 65 N -2.44 2.13 0.00 8.50 2.96 -1.26 -2.32 118.68 126.25 1bqh s LEU 65 Ca -0.01 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.23 1bqh s LEU 65 Cb 0.02 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 1bqh s LEU 65 CO -0.07 -0.03 0.06 0.00 -1.32 0.00 0.00 176.35 175.00 1bqh s ALA 66 N 1.32 3.52 -0.02 5.97 0.00 -0.29 -1.14 121.76 131.12 1bqh s ALA 66 Ca 0.04 -0.89 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 1bqh s ALA 66 Cb -0.13 -1.52 0.09 0.00 0.00 0.00 0.00 23.12 21.55 1bqh s ALA 66 CO -0.12 0.68 0.75 -3.38 0.00 0.00 0.00 175.76 173.70 1bqh s HIS 67 N -1.18 -0.54 -0.05 0.00 -3.43 -0.36 0.15 115.29 109.87 1bqh s HIS 67 Ca 0.22 0.76 -0.18 0.00 -0.80 0.00 0.00 55.06 55.07 1bqh s HIS 67 Cb -0.12 0.46 0.04 0.00 -1.43 0.00 0.00 32.58 31.53 1bqh s HIS 67 CO 0.14 -0.60 0.40 -0.08 -2.00 0.00 0.00 174.74 172.60 1bqh s THR 68 N -1.91 0.04 0.71 -5.38 -1.32 -0.54 -0.89 115.64 106.35 1bqh s THR 68 Ca -0.05 -0.30 -0.16 0.00 -1.21 0.00 0.00 61.69 59.98 1bqh s THR 68 Cb -0.00 -0.69 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 1bqh s THR 68 CO 0.02 -0.16 1.26 -1.61 -2.21 0.00 0.00 174.62 171.92 1bqh s GLU 69 N -1.02 2.16 -0.10 7.08 2.02 -1.26 -1.59 118.70 125.99 1bqh s GLU 69 Ca -0.11 1.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.54 1bqh s GLU 69 Cb -0.04 -1.81 0.11 0.00 0.10 0.00 0.00 34.13 32.49 1bqh s GLU 69 CO 0.05 -1.87 0.93 -0.59 0.02 0.00 0.00 175.26 173.79 1bqh s PHE 70 N -1.69 -0.39 -0.34 1.61 -0.71 0.13 -4.78 117.98 111.81 1bqh s PHE 70 Ca 0.79 0.54 0.00 0.00 -1.04 0.00 0.00 56.93 57.22 1bqh s PHE 70 Cb -0.34 0.48 0.08 0.00 -1.21 0.00 0.00 43.02 42.03 1bqh s PHE 70 CO 0.44 -0.44 0.06 0.99 -1.34 0.00 0.00 175.22 174.94 1bqh s THR 71 N -1.79 2.78 0.41 -4.49 2.01 -1.26 0.71 115.64 114.00 1bqh s THR 71 Ca -0.00 -1.89 -0.25 0.00 0.31 0.00 0.00 61.69 59.85 1bqh s THR 71 Cb -0.01 -2.82 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 1bqh s THR 71 CO -0.01 -0.41 1.21 -2.16 -0.69 0.00 0.00 174.62 172.55 1bqh s PRO 72 N 1.10 3.99 0.00 4.92 0.04 -1.26 -4.82 135.00 138.96 1bqh s PRO 72 Ca 0.03 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.99 1bqh s PRO 72 Cb -0.21 -2.67 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1bqh s PRO 72 CO -0.04 -0.40 0.00 0.25 0.04 0.00 0.00 177.00 176.84 1bqh n THR 73 N 0.02 0.00 0.44 1.26 -2.24 -1.26 -1.33 114.28 111.18 1bqh n THR 73 Ca 0.04 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.87 1bqh n THR 73 Cb 0.46 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.64 1bqh n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1bqh n GLU 74 N 0.00 3.57 -0.00 -0.78 0.28 -1.26 -4.67 120.64 117.79 1bqh n GLU 74 Ca 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1bqh n GLU 74 Cb 0.00 -0.97 -0.00 0.00 1.43 0.00 0.00 31.44 31.90 1bqh n GLU 74 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1bqh n THR 75 N -1.05 0.00 -2.28 3.84 -2.24 -1.26 -5.04 114.28 106.25 1bqh n THR 75 Ca 0.02 -0.05 -0.38 0.00 -2.27 0.00 0.00 64.05 61.37 1bqh n THR 75 Cb 0.16 0.53 -0.02 0.00 -2.10 0.00 0.00 70.33 68.90 1bqh n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bqh s ASP 76 N -1.98 6.53 -0.13 3.42 1.01 -1.26 -5.03 116.67 119.24 1bqh s ASP 76 Ca -0.00 2.37 0.03 0.00 0.71 0.00 0.00 52.55 55.66 1bqh s ASP 76 Cb 0.00 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.32 1bqh s ASP 76 CO 0.02 -0.67 -0.22 0.42 0.21 0.00 0.00 175.17 174.93 1bqh s THR 77 N -1.39 2.02 0.07 -1.27 -4.23 -1.26 -4.83 115.64 104.74 1bqh s THR 77 Ca 0.56 -0.96 0.06 0.00 -1.18 0.00 0.00 61.69 60.17 1bqh s THR 77 Cb -0.31 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 1bqh s THR 77 CO 0.40 0.54 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.60 1bqh s TYR 78 N 0.73 2.75 0.35 3.99 1.51 -1.26 0.13 117.35 125.53 1bqh s TYR 78 Ca -0.09 -0.14 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1bqh s TYR 78 Cb -0.16 -1.48 0.01 0.00 -0.11 0.00 0.00 41.96 40.22 1bqh s TYR 78 CO 0.00 0.38 0.49 0.00 -1.11 0.00 0.00 175.55 175.32 1bqh n ALA 79 N 1.05 -0.39 -3.54 3.71 0.00 -0.20 -0.57 120.51 120.57 1bqh n ALA 79 Ca -0.14 -1.57 -0.23 0.00 0.00 0.00 0.00 53.44 51.50 1bqh n ALA 79 Cb 0.52 1.27 -0.15 0.00 0.00 0.00 0.00 19.45 21.09 1bqh n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqh s ARG 81 N 2.22 4.37 -0.08 0.00 3.52 0.75 -2.42 118.95 127.32 1bqh s ARG 81 Ca 0.06 0.70 0.02 0.00 -0.13 0.00 0.00 55.73 56.37 1bqh s ARG 81 Cb -0.16 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.83 1bqh s ARG 81 CO -0.17 0.17 -0.11 0.08 -0.81 0.00 0.00 175.30 174.47 1bqh s VAL 82 N 0.48 1.11 -0.19 7.11 1.01 0.15 -0.11 120.40 129.97 1bqh s VAL 82 Ca 0.32 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 1bqh s VAL 82 Cb -0.17 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1bqh s VAL 82 CO 0.15 0.36 -0.01 -0.75 0.00 0.00 0.00 175.10 174.85 1bqh s LYS 83 N 0.89 3.64 -0.19 2.72 2.20 0.18 -1.26 119.74 127.92 1bqh s LYS 83 Ca -0.10 -0.52 -0.15 0.00 -0.36 0.00 0.00 55.97 54.84 1bqh s LYS 83 Cb -0.15 -3.04 0.05 0.00 -1.51 0.00 0.00 37.83 33.18 1bqh s LYS 83 CO 0.01 0.08 0.49 -1.58 -0.36 0.00 0.00 175.35 173.98 1bqh s HIS 84 N 0.82 -0.59 0.65 4.03 2.46 -1.26 -0.83 115.29 120.57 1bqh s HIS 84 Ca 0.00 1.36 0.16 0.00 0.47 0.00 0.00 55.06 57.05 1bqh s HIS 84 Cb -0.14 0.23 0.80 0.00 -0.13 0.00 0.00 32.58 33.34 1bqh s HIS 84 CO 0.02 -0.30 1.44 -0.44 -2.47 0.00 0.00 174.74 172.99 1bqh h ASP 85 N 5.88 0.00 1.56 9.88 3.32 -1.92 0.32 116.42 135.45 1bqh h ASP 85 Ca -0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.75 1bqh h ASP 85 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1bqh h ASP 85 CO 0.22 0.00 -0.10 0.77 -1.72 0.00 0.00 179.24 178.41 1bqh h SER 86 N 0.00 0.00 -3.38 6.45 4.64 -1.86 -3.44 113.55 115.97 1bqh h SER 86 Ca 0.05 -0.02 -0.65 0.00 -0.47 0.00 0.00 61.79 60.70 1bqh h SER 86 Cb 1.50 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.38 1bqh h SER 86 CO -0.00 0.01 -0.68 -0.04 -0.87 0.00 0.00 176.83 175.25 1bqh s MET 87 N -3.15 3.43 0.19 4.77 -1.94 0.11 -4.93 119.30 117.78 1bqh s MET 87 Ca 0.09 -0.53 -0.12 0.00 -1.71 0.00 0.00 55.69 53.42 1bqh s MET 87 Cb 0.10 -2.82 0.12 0.00 2.01 0.00 0.00 34.83 34.24 1bqh s MET 87 CO 0.64 0.36 1.86 0.00 -0.01 0.00 0.00 175.02 177.86 1bqh h ALA 88 N 6.31 0.81 -3.47 3.03 0.00 -1.85 -3.43 119.26 120.65 1bqh h ALA 88 Ca -0.35 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.01 1bqh h ALA 88 Cb 1.19 -0.25 -0.21 0.00 0.00 0.00 0.00 17.79 18.52 1bqh h ALA 88 CO 0.60 0.23 -0.81 -1.21 0.00 0.00 0.00 179.25 178.06 1bqh s GLU 89 N -6.14 1.05 0.13 0.00 2.02 -1.26 -5.10 118.70 109.40 1bqh s GLU 89 Ca -0.13 -1.14 -0.32 0.00 0.02 0.00 0.00 54.97 53.40 1bqh s GLU 89 Cb 0.14 -1.20 -0.11 0.00 0.10 0.00 0.00 34.13 33.05 1bqh s GLU 89 CO 0.76 0.27 1.79 -0.35 0.02 0.00 0.00 175.26 177.75 1bqh n PRO 90 N 1.02 2.65 -2.72 0.39 -0.04 -1.26 -4.94 135.00 130.10 1bqh n PRO 90 Ca -0.19 0.96 -0.40 0.00 -0.04 0.00 0.00 63.50 63.83 1bqh n PRO 90 Cb 0.54 -2.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 1bqh n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1bqh s LYS 91 N 2.31 4.83 -0.09 0.54 2.20 -0.39 -4.80 119.74 124.33 1bqh s LYS 91 Ca 0.81 1.52 0.01 0.00 -0.36 0.00 0.00 55.97 57.96 1bqh s LYS 91 Cb -0.53 -3.28 0.02 0.00 -1.51 0.00 0.00 37.83 32.53 1bqh s LYS 91 CO 0.38 0.47 -0.11 0.99 -0.36 0.00 0.00 175.35 176.72 1bqh s THR 92 N -1.11 1.14 -0.05 3.43 2.01 -1.26 0.34 115.64 120.15 1bqh s THR 92 Ca 0.42 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 62.02 1bqh s THR 92 Cb -0.26 -1.08 -0.00 0.00 0.01 0.00 0.00 72.50 71.16 1bqh s THR 92 CO 0.33 0.37 -0.18 0.68 -0.69 0.00 0.00 174.62 175.13 1bqh s VAL 93 N 1.05 1.48 0.08 3.82 -7.23 -1.01 -4.94 120.40 113.65 1bqh s VAL 93 Ca -0.07 -0.74 -0.09 0.00 -1.81 0.00 0.00 61.98 59.27 1bqh s VAL 93 Cb -0.15 -1.27 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 1bqh s VAL 93 CO -0.01 0.42 0.39 -0.31 -0.31 0.00 0.00 175.10 175.29 1bqh s TYR 94 N 0.04 3.57 0.22 2.82 1.51 -1.26 -0.43 117.35 123.81 1bqh s TYR 94 Ca -0.04 0.75 -0.30 0.00 -1.01 0.00 0.00 57.07 56.47 1bqh s TYR 94 Cb -0.12 -2.14 -0.09 0.00 -0.11 0.00 0.00 41.96 39.50 1bqh s TYR 94 CO 0.02 0.51 1.39 -0.46 -1.11 0.00 0.00 175.55 175.90 1bqh s TRP 95 N -1.43 3.14 -0.37 2.71 -0.00 0.26 -4.91 118.94 118.34 1bqh s TRP 95 Ca 0.34 1.09 0.00 0.00 -0.00 0.00 0.00 56.10 57.53 1bqh s TRP 95 Cb -0.14 -3.72 0.10 0.00 -0.00 0.00 0.00 33.47 29.71 1bqh s TRP 95 CO 0.19 -2.35 0.11 0.34 -0.00 0.00 0.00 176.95 175.24 1bqh s ASP 96 N 0.43 5.00 0.38 5.86 -1.08 -1.26 -4.85 116.67 121.15 1bqh s ASP 96 Ca 0.59 -1.99 0.21 0.00 -0.52 0.00 0.00 52.55 50.85 1bqh s ASP 96 Cb -0.39 -1.73 1.30 0.00 -1.46 0.00 0.00 42.92 40.63 1bqh s ASP 96 CO 0.40 -0.44 1.61 -0.09 0.52 0.00 0.00 175.17 177.17 1bqh h ARG 97 N 7.86 0.11 -0.00 4.34 2.43 -1.94 0.45 114.38 127.63 1bqh h ARG 97 Ca -0.10 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1bqh h ARG 97 Cb 1.04 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1bqh h ARG 97 CO 0.60 0.07 -0.69 -0.25 -1.51 0.00 0.00 179.97 178.19 1bqh n ASP 98 N -5.06 0.82 0.00 -3.80 8.00 -1.26 -4.93 116.55 110.33 1bqh n ASP 98 Ca 0.36 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 55.19 1bqh n ASP 98 Cb 1.24 0.57 0.00 0.00 -0.02 0.00 0.00 41.12 42.91 1bqh n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04