#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqr s ASP 2 N 0.00 3.31 0.27 0.00 1.01 -1.26 -1.43 116.67 118.57 1bqr s ASP 2 Ca 0.00 -0.46 0.07 0.00 0.71 0.00 0.00 52.55 52.86 1bqr s ASP 2 Cb 0.00 -1.10 -0.06 0.00 1.01 0.00 0.00 42.92 42.77 1bqr s ASP 2 CO 0.00 0.22 -0.07 -0.36 0.21 0.00 0.00 175.17 175.17 1bqr s PHE 3 N -0.01 1.91 -0.02 4.23 0.40 0.21 -4.98 117.98 119.72 1bqr s PHE 3 Ca -0.07 -0.67 0.07 0.00 -0.60 0.00 0.00 56.93 55.65 1bqr s PHE 3 Cb -0.15 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.31 1bqr s PHE 3 CO 0.05 0.30 -0.22 -1.21 0.70 0.00 0.00 175.22 174.84 1bqr s GLU 4 N -3.71 1.78 -0.06 0.44 2.02 -1.26 -1.09 118.70 116.81 1bqr s GLU 4 Ca 0.28 -0.78 0.03 0.00 0.02 0.00 0.00 54.97 54.52 1bqr s GLU 4 Cb 0.03 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.55 1bqr s GLU 4 CO 0.11 0.47 -0.14 0.08 0.02 0.00 0.00 175.26 175.80 1bqr s VAL 5 N -0.51 1.25 0.01 2.63 1.01 -0.27 -4.65 120.40 119.88 1bqr s VAL 5 Ca 0.08 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1bqr s VAL 5 Cb -0.08 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1bqr s VAL 5 CO -0.01 0.38 0.04 -1.00 0.00 0.00 0.00 175.10 174.50 1bqr s HIS 6 N 0.41 3.15 -0.25 5.22 3.76 -0.00 -0.65 115.29 126.93 1bqr s HIS 6 Ca -0.11 0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 1bqr s HIS 6 Cb -0.14 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 1bqr s HIS 6 CO 0.03 0.50 0.06 -1.64 -0.85 0.00 0.00 174.74 172.84 1bqr s MET 7 N -1.74 3.55 0.09 1.40 -1.94 -0.47 -0.63 119.30 119.55 1bqr s MET 7 Ca 0.22 -0.54 0.07 0.00 -1.71 0.00 0.00 55.69 53.72 1bqr s MET 7 Cb -0.12 -3.29 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 1bqr s MET 7 CO 0.13 -0.22 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.24 1bqr s LEU 8 N 1.59 2.29 0.27 -0.03 1.43 -0.55 -1.89 118.68 121.79 1bqr s LEU 8 Ca 0.06 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1bqr s LEU 8 Cb -0.15 -0.69 0.38 0.00 0.03 0.00 0.00 46.19 45.76 1bqr s LEU 8 CO 0.03 -0.01 1.65 0.78 0.23 0.00 0.00 176.35 179.02 1bqr h ASN 9 N 4.18 0.27 -3.52 2.29 2.35 -1.92 -1.62 115.58 117.62 1bqr h ASN 9 Ca -0.43 -0.13 -0.21 0.00 -0.55 0.00 0.00 56.30 54.98 1bqr h ASN 9 Cb 1.19 -0.08 -0.29 0.00 0.05 0.00 0.00 38.32 39.19 1bqr h ASN 9 CO 0.40 0.71 -0.53 -0.75 -1.65 0.00 0.00 177.43 175.60 1bqr s LYS 10 N -4.03 0.17 0.00 0.81 2.47 -1.26 -0.60 119.74 117.29 1bqr s LYS 10 Ca -0.04 0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.75 1bqr s LYS 10 Cb 0.13 -0.07 0.00 0.00 -1.46 0.00 0.00 37.83 36.43 1bqr s LYS 10 CO 0.78 -0.12 0.00 0.41 0.16 0.00 0.00 175.35 176.58 1bqr n GLY 11 N 3.83 3.46 0.31 5.54 0.00 0.37 -4.98 105.19 113.72 1bqr n GLY 11 Ca -0.22 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.37 1bqr n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bqr h LYS 12 N 0.00 0.74 -0.08 1.61 3.64 -2.01 -1.16 116.57 119.31 1bqr h LYS 12 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1bqr h LYS 12 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1bqr h LYS 12 CO 0.00 0.49 0.00 -0.25 -2.27 0.00 0.00 179.45 177.42 1bqr n ASP 13 N -4.77 0.63 0.00 4.20 10.43 -1.26 -5.02 116.55 120.76 1bqr n ASP 13 Ca 0.15 -1.66 0.00 0.00 2.57 0.00 0.00 54.79 55.85 1bqr n ASP 13 Cb 0.33 -0.05 0.00 0.00 1.84 0.00 0.00 41.12 43.24 1bqr n ASP 13 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1bqr n GLY 14 N 0.85 0.07 3.82 0.44 0.00 -0.44 -5.03 105.19 104.91 1bqr n GLY 14 Ca 0.12 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.60 1bqr n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqr s ALA 15 N -2.00 3.28 -0.49 4.61 0.00 -1.26 -0.48 121.76 125.42 1bqr s ALA 15 Ca 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 51.96 52.03 1bqr s ALA 15 Cb 0.00 -2.92 0.02 0.00 0.00 0.00 0.00 23.12 20.22 1bqr s ALA 15 CO 0.00 0.27 0.62 -1.33 0.00 0.00 0.00 175.76 175.32 1bqr n MET 16 N 0.07 -2.17 -4.20 0.00 2.81 0.23 -4.87 117.12 108.99 1bqr n MET 16 Ca 0.02 1.95 -0.15 0.00 -1.81 0.00 0.00 57.70 57.71 1bqr n MET 16 Cb 0.52 -5.33 -0.11 0.00 -0.71 0.00 0.00 33.22 27.59 1bqr n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1bqr s VAL 17 N -2.58 1.05 -0.14 2.03 -7.23 -0.61 -3.74 120.40 109.18 1bqr s VAL 17 Ca 0.22 -1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 58.55 1bqr s VAL 17 Cb -0.06 -1.51 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 1bqr s VAL 17 CO 0.78 -0.59 0.15 -0.36 -0.31 0.00 0.00 175.10 174.77 1bqr s PHE 18 N -2.62 3.54 -0.09 2.82 0.40 -1.26 -1.49 117.98 119.28 1bqr s PHE 18 Ca 0.09 0.48 -0.01 0.00 -0.60 0.00 0.00 56.93 56.89 1bqr s PHE 18 Cb -0.02 -2.04 0.03 0.00 0.51 0.00 0.00 43.02 41.50 1bqr s PHE 18 CO 0.00 0.58 -0.04 -1.21 0.70 0.00 0.00 175.22 175.25 1bqr s GLU 19 N -0.54 1.07 0.68 0.44 2.02 0.20 -2.85 118.70 119.71 1bqr s GLU 19 Ca 0.13 -0.07 -0.12 0.00 0.02 0.00 0.00 54.97 54.92 1bqr s GLU 19 Cb -0.12 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.84 1bqr s GLU 19 CO 0.02 -0.28 1.07 -1.25 0.02 0.00 0.00 175.26 174.84 1bqr s PRO 20 N 1.83 2.90 0.00 0.39 0.04 -1.26 -0.82 135.00 138.08 1bqr s PRO 20 Ca 0.05 1.09 0.25 0.00 0.04 0.00 0.00 61.00 62.44 1bqr s PRO 20 Cb -0.12 -1.98 0.59 0.00 0.04 0.00 0.00 34.50 33.02 1bqr s PRO 20 CO -0.07 -1.13 1.47 0.00 0.04 0.00 0.00 177.00 177.30 1bqr n ALA 21 N -2.85 3.41 -3.50 8.56 0.00 -1.13 -4.80 120.51 120.20 1bqr n ALA 21 Ca 0.08 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 53.03 1bqr n ALA 21 Cb 0.53 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.70 1bqr n ALA 21 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1bqr s SER 22 N -2.89 0.01 -0.10 0.00 1.04 -1.26 -0.91 113.70 109.60 1bqr s SER 22 Ca 0.14 0.09 -0.09 0.00 0.48 0.00 0.00 55.95 56.57 1bqr s SER 22 Cb 0.18 0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1bqr s SER 22 CO 0.66 -0.10 0.26 -0.22 0.98 0.00 0.00 173.24 174.82 1bqr s LEU 23 N 0.77 0.96 -0.16 2.42 2.96 -0.89 -4.99 118.68 119.75 1bqr s LEU 23 Ca -0.06 0.52 -0.02 0.00 -0.22 0.00 0.00 54.13 54.35 1bqr s LEU 23 Cb -0.09 0.87 -0.01 0.00 0.50 0.00 0.00 46.19 47.46 1bqr s LEU 23 CO -0.03 -0.10 -0.09 -0.75 -1.32 0.00 0.00 176.35 174.07 1bqr s LYS 24 N 0.23 3.43 0.31 1.98 2.20 -1.26 -0.99 119.74 125.65 1bqr s LYS 24 Ca -0.01 -0.64 0.04 0.00 -0.36 0.00 0.00 55.97 55.01 1bqr s LYS 24 Cb -0.03 -2.79 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 1bqr s LYS 24 CO -0.00 0.11 0.04 0.14 -0.36 0.00 0.00 175.35 175.27 1bqr s VAL 25 N 0.66 1.26 0.38 4.02 -7.23 0.41 -4.96 120.40 114.95 1bqr s VAL 25 Ca -0.05 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.09 1bqr s VAL 25 Cb -0.15 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 34.04 1bqr s VAL 25 CO 0.02 -0.07 0.62 0.00 -0.31 0.00 0.00 175.10 175.36 1bqr s ALA 26 N -3.25 3.61 0.18 1.32 0.00 -1.26 -0.76 121.76 121.60 1bqr s ALA 26 Ca 0.35 -0.79 -0.33 0.00 0.00 0.00 0.00 51.96 51.19 1bqr s ALA 26 Cb 0.08 -2.25 -0.12 0.00 0.00 0.00 0.00 23.12 20.83 1bqr s ALA 26 CO 0.14 -0.11 1.69 -2.30 0.00 0.00 0.00 175.76 175.19 1bqr n PRO 27 N -1.91 2.58 -0.02 0.00 -0.02 -1.26 -1.32 135.00 133.05 1bqr n PRO 27 Ca -0.03 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1bqr n PRO 27 Cb 0.56 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 1bqr n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bqr n GLY 28 N 3.83 0.69 3.84 -1.23 0.00 -0.03 -5.03 105.19 107.26 1bqr n GLY 28 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1bqr n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqr s ASP 29 N -2.51 5.58 0.01 1.61 1.01 -0.43 -4.70 116.67 117.24 1bqr s ASP 29 Ca 0.00 1.48 0.07 0.00 0.71 0.00 0.00 52.55 54.81 1bqr s ASP 29 Cb 0.00 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 1bqr s ASP 29 CO 0.00 -1.30 -0.19 0.42 0.21 0.00 0.00 175.17 174.31 1bqr s THR 30 N -3.12 2.68 -0.06 -1.27 -4.23 -0.52 -1.57 115.64 107.54 1bqr s THR 30 Ca 0.57 -1.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.03 1bqr s THR 30 Cb -0.13 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.64 1bqr s THR 30 CO 0.54 0.43 -0.18 -0.69 -0.54 0.00 0.00 174.62 174.18 1bqr s VAL 31 N -0.83 1.56 -0.22 2.29 1.01 -0.38 -0.62 120.40 123.22 1bqr s VAL 31 Ca 0.13 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1bqr s VAL 31 Cb -0.10 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 1bqr s VAL 31 CO 0.03 0.45 0.07 -0.89 0.00 0.00 0.00 175.10 174.76 1bqr s THR 32 N 0.25 4.52 -0.21 3.92 2.01 -0.25 -1.06 115.64 124.81 1bqr s THR 32 Ca -0.10 -0.11 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 1bqr s THR 32 Cb -0.14 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1bqr s THR 32 CO 0.04 0.38 0.43 -0.36 -0.69 0.00 0.00 174.62 174.42 1bqr s PHE 33 N 1.14 3.35 -0.19 4.92 0.40 0.44 -1.11 117.98 126.93 1bqr s PHE 33 Ca 0.04 0.62 0.01 0.00 -0.60 0.00 0.00 56.93 57.01 1bqr s PHE 33 Cb -0.14 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.85 1bqr s PHE 33 CO 0.03 -0.08 -0.14 0.42 0.70 0.00 0.00 175.22 176.16 1bqr s ILE 34 N 1.55 1.79 -0.78 0.64 1.01 0.18 -1.19 121.20 124.40 1bqr s ILE 34 Ca 0.20 -0.97 -0.26 0.00 0.00 0.00 0.00 60.65 59.62 1bqr s ILE 34 Cb -0.15 -1.75 -0.00 0.00 0.01 0.00 0.00 42.46 40.56 1bqr s ILE 34 CO 0.09 0.31 1.65 -2.16 0.00 0.00 0.00 174.94 174.83 1bqr s PRO 35 N 1.36 2.93 0.23 2.79 0.04 -1.26 -1.37 135.00 139.71 1bqr s PRO 35 Ca 0.01 -0.12 -0.03 0.00 0.04 0.00 0.00 61.00 60.90 1bqr s PRO 35 Cb -0.15 -4.65 0.23 0.00 0.04 0.00 0.00 34.50 29.97 1bqr s PRO 35 CO -0.10 -2.62 1.65 1.15 0.04 0.00 0.00 177.00 177.12 1bqr h THR 36 N 6.72 1.27 -2.82 1.26 2.02 -1.75 -3.42 112.91 116.20 1bqr h THR 36 Ca -0.11 -1.29 -0.59 0.00 0.77 0.00 0.00 66.41 65.20 1bqr h THR 36 Cb 1.07 1.18 -0.06 0.00 -1.74 0.00 0.00 68.15 68.60 1bqr h THR 36 CO 1.27 0.43 -0.54 -1.81 0.37 0.00 0.00 175.52 175.24 1bqr s ASP 37 N -6.74 5.81 0.54 4.18 1.01 -1.07 -5.05 116.67 115.34 1bqr s ASP 37 Ca -0.09 0.02 -0.18 0.00 0.71 0.00 0.00 52.55 53.01 1bqr s ASP 37 Cb 0.13 -1.62 -0.06 0.00 1.01 0.00 0.00 42.92 42.38 1bqr s ASP 37 CO 0.83 0.10 1.03 -0.54 0.21 0.00 0.00 175.17 176.81 1bqr s LYS 38 N -2.88 3.62 0.00 8.23 -0.14 -1.26 -4.34 119.74 122.97 1bqr s LYS 38 Ca 0.32 1.22 0.00 0.00 -1.36 0.00 0.00 55.97 56.15 1bqr s LYS 38 Cb -0.11 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.96 1bqr s LYS 38 CO 0.25 -0.56 0.00 0.41 -0.76 0.00 0.00 175.35 174.69 1bqr n GLY 39 N -0.80 0.81 3.66 -3.33 0.00 -1.26 -4.99 105.19 99.29 1bqr n GLY 39 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 1bqr n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bqr s HIS 40 N -2.00 2.66 0.06 1.61 3.76 -1.26 -4.88 115.29 115.25 1bqr s HIS 40 Ca 0.00 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.60 1bqr s HIS 40 Cb 0.00 -1.36 0.00 0.00 1.11 0.00 0.00 32.58 32.34 1bqr s HIS 40 CO 0.00 0.53 0.08 0.27 -0.85 0.00 0.00 174.74 174.77 1bqr n ASN 41 N -0.97 -0.23 -3.86 1.40 6.94 -1.26 -1.74 115.26 115.54 1bqr n ASN 41 Ca -0.05 -1.32 -0.13 0.00 -0.02 0.00 0.00 54.58 53.06 1bqr n ASN 41 Cb 0.60 0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 38.31 1bqr n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1bqr s VAL 42 N -2.51 0.05 -0.03 3.53 0.11 -1.26 -4.22 120.40 116.07 1bqr s VAL 42 Ca 0.05 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 1bqr s VAL 42 Cb -0.00 -0.08 0.01 0.00 -1.53 0.00 0.00 36.38 34.78 1bqr s VAL 42 CO 0.03 0.04 0.18 -0.70 -3.33 0.00 0.00 175.10 171.32 1bqr s GLU 43 N 0.23 0.39 0.42 1.54 2.12 0.30 -0.54 118.70 123.16 1bqr s GLU 43 Ca -0.02 -0.08 -0.24 0.00 0.36 0.00 0.00 54.97 54.99 1bqr s GLU 43 Cb -0.03 0.17 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 1bqr s GLU 43 CO -0.01 -0.08 1.15 0.95 -0.54 0.00 0.00 175.26 176.73 1bqr s THR 44 N -0.72 3.24 0.03 -1.70 -4.23 -0.56 -0.47 115.64 111.22 1bqr s THR 44 Ca -0.08 0.99 -0.26 0.00 -1.18 0.00 0.00 61.69 61.15 1bqr s THR 44 Cb -0.05 -3.53 -0.05 0.00 1.34 0.00 0.00 72.50 70.22 1bqr s THR 44 CO 0.01 0.04 0.82 -0.63 -0.54 0.00 0.00 174.62 174.32 1bqr s ILE 45 N -1.50 4.76 0.26 2.99 1.01 -0.04 -4.82 121.20 123.87 1bqr s ILE 45 Ca 0.59 1.73 -0.31 0.00 0.00 0.00 0.00 60.65 62.67 1bqr s ILE 45 Cb -0.29 -4.17 -0.12 0.00 0.01 0.00 0.00 42.46 37.90 1bqr s ILE 45 CO 0.35 0.31 1.58 0.29 0.00 0.00 0.00 174.94 177.47 1bqr n LYS 46 N 3.10 2.56 -0.71 2.79 5.02 -1.26 -1.56 118.16 128.09 1bqr n LYS 46 Ca -0.00 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.20 1bqr n LYS 46 Cb 0.50 -2.68 0.00 0.00 -0.02 0.00 0.00 35.03 32.83 1bqr n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bqr n GLY 47 N 2.49 1.10 1.74 0.72 0.00 -1.26 -4.88 105.19 105.10 1bqr n GLY 47 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 1bqr n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1bqr n MET 48 N -2.00 2.56 -4.17 1.61 2.81 -0.60 -4.60 117.12 112.73 1bqr n MET 48 Ca 0.00 -3.69 -0.18 0.00 -1.81 0.00 0.00 57.70 52.02 1bqr n MET 48 Cb 0.00 -1.84 -0.12 0.00 -0.71 0.00 0.00 33.22 30.55 1bqr n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1bqr s ILE 49 N -3.80 1.07 0.86 2.02 -4.36 -1.26 -0.77 121.20 114.96 1bqr s ILE 49 Ca 0.43 -1.33 -0.12 0.00 -0.26 0.00 0.00 60.65 59.38 1bqr s ILE 49 Cb 0.38 -1.07 0.11 0.00 1.25 0.00 0.00 42.46 43.13 1bqr s ILE 49 CO -0.02 -0.26 1.10 -2.16 0.24 0.00 0.00 174.94 173.84 1bqr s PRO 50 N -1.83 1.59 0.38 0.37 0.04 -1.25 -4.96 135.00 129.35 1bqr s PRO 50 Ca -0.02 0.61 -0.27 0.00 0.04 0.00 0.00 61.00 61.36 1bqr s PRO 50 Cb -0.09 -1.86 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 1bqr s PRO 50 CO 0.02 -1.96 1.36 -0.51 0.04 0.00 0.00 177.00 175.96 1bqr s ASP 51 N -3.78 6.39 0.00 6.66 -0.00 -1.26 -2.33 116.67 122.35 1bqr s ASP 51 Ca 0.62 2.80 0.00 0.00 -0.00 0.00 0.00 52.55 55.97 1bqr s ASP 51 Cb -0.16 -2.65 0.00 0.00 -0.00 0.00 0.00 42.92 40.11 1bqr s ASP 51 CO 0.55 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.52 1bqr n GLY 52 N 0.64 1.24 3.95 0.21 0.00 -1.26 -4.88 105.19 105.08 1bqr n GLY 52 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1bqr n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqr s ALA 53 N -2.65 3.96 -0.04 4.61 0.00 -0.99 -4.75 121.76 121.92 1bqr s ALA 53 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.92 1bqr s ALA 53 Cb 0.00 -1.78 -0.03 0.00 0.00 0.00 0.00 23.12 21.31 1bqr s ALA 53 CO 0.00 0.51 -0.01 -1.21 0.00 0.00 0.00 175.76 175.05 1bqr s GLU 54 N -3.30 2.84 0.68 0.00 2.02 -1.26 -4.92 118.70 114.76 1bqr s GLU 54 Ca 0.35 -0.54 -0.14 0.00 0.02 0.00 0.00 54.97 54.66 1bqr s GLU 54 Cb -0.11 -2.69 0.01 0.00 0.10 0.00 0.00 34.13 31.44 1bqr s GLU 54 CO 0.29 0.66 1.11 0.00 0.02 0.00 0.00 175.26 177.34 1bqr s ALA 55 N -0.97 2.40 0.06 5.21 0.00 -1.26 -5.06 121.76 122.13 1bqr s ALA 55 Ca 0.16 0.53 -0.03 0.00 0.00 0.00 0.00 51.96 52.61 1bqr s ALA 55 Cb -0.11 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1bqr s ALA 55 CO 0.06 -1.41 0.04 -0.59 0.00 0.00 0.00 175.76 173.86 1bqr s PHE 56 N -2.41 0.39 -0.23 0.00 -0.71 -1.26 -5.01 117.98 108.75 1bqr s PHE 56 Ca 0.67 -0.88 -0.07 0.00 -1.04 0.00 0.00 56.93 55.61 1bqr s PHE 56 Cb -0.21 -0.28 0.11 0.00 -1.21 0.00 0.00 43.02 41.44 1bqr s PHE 56 CO 0.44 -0.42 0.47 0.21 -1.34 0.00 0.00 175.22 174.59 1bqr s LYS 57 N -3.75 0.40 0.61 1.99 2.20 -1.26 -1.50 119.74 118.42 1bqr s LYS 57 Ca 0.05 1.05 -0.03 0.00 -0.36 0.00 0.00 55.97 56.69 1bqr s LYS 57 Cb 0.06 0.35 0.04 0.00 -1.51 0.00 0.00 37.83 36.77 1bqr s LYS 57 CO -0.10 -0.32 0.88 -1.54 -0.36 0.00 0.00 175.35 173.91 1bqr s SER 58 N 2.68 5.15 0.43 1.43 1.04 0.30 -5.01 113.70 119.72 1bqr s SER 58 Ca 0.01 0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.60 1bqr s SER 58 Cb -0.13 -1.09 -0.06 0.00 0.10 0.00 0.00 66.02 64.84 1bqr s SER 58 CO -0.15 -1.30 0.81 -0.54 0.98 0.00 0.00 173.24 173.04 1bqr s LYS 59 N -4.97 3.79 0.32 4.02 -0.14 -1.26 -4.57 119.74 116.93 1bqr s LYS 59 Ca 0.58 0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 55.43 1bqr s LYS 59 Cb -0.10 -2.34 -0.12 0.00 -1.68 0.00 0.00 37.83 33.58 1bqr s LYS 59 CO 0.42 -0.09 1.45 -0.89 -0.76 0.00 0.00 175.35 175.48 1bqr n ILE 60 N -1.40 1.50 -0.90 2.17 2.08 -1.26 -2.42 119.36 119.12 1bqr n ILE 60 Ca 0.03 -0.38 0.00 0.00 0.56 0.00 0.00 62.75 62.97 1bqr n ILE 60 Cb 0.54 -1.77 0.00 0.00 -0.75 0.00 0.00 39.64 37.66 1bqr n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1bqr n ASN 61 N 1.38 -1.86 -4.91 4.38 3.02 -0.71 -4.98 115.26 111.58 1bqr n ASN 61 Ca 0.06 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.31 1bqr n ASN 61 Cb 0.36 -1.20 -0.04 0.00 -0.61 0.00 0.00 39.78 38.29 1bqr n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1bqr s GLU 62 N -0.52 3.59 -0.18 3.52 -1.05 -1.01 -4.82 118.70 118.23 1bqr s GLU 62 Ca 0.00 -0.16 -0.29 0.00 -0.15 0.00 0.00 54.97 54.37 1bqr s GLU 62 Cb 0.00 -2.84 -0.00 0.00 -0.44 0.00 0.00 34.13 30.85 1bqr s GLU 62 CO 0.00 0.45 1.06 -0.80 0.95 0.00 0.00 175.26 176.92 1bqr s ASN 63 N -2.64 7.12 -0.26 0.83 0.02 -1.26 -4.48 114.94 114.27 1bqr s ASN 63 Ca 0.40 1.47 0.01 0.00 -1.02 0.00 0.00 52.86 53.73 1bqr s ASN 63 Cb -0.12 -2.55 0.05 0.00 0.02 0.00 0.00 41.25 38.65 1bqr s ASN 63 CO 0.26 -0.62 -0.09 -0.47 0.02 0.00 0.00 177.10 176.20 1bqr s TYR 64 N 2.87 3.17 -0.16 2.20 5.04 -0.33 -4.95 117.35 125.19 1bqr s TYR 64 Ca 0.47 -2.02 -0.13 0.00 -2.44 0.00 0.00 57.07 52.95 1bqr s TYR 64 Cb -0.17 -1.99 -0.05 0.00 0.35 0.00 0.00 41.96 40.11 1bqr s TYR 64 CO 0.11 -0.83 0.27 0.21 -1.34 0.00 0.00 175.55 173.97 1bqr s LYS 65 N 1.19 4.21 -0.06 4.97 2.20 -1.26 -0.42 119.74 130.56 1bqr s LYS 65 Ca -0.05 0.06 0.03 0.00 -0.36 0.00 0.00 55.97 55.65 1bqr s LYS 65 Cb -0.18 -3.41 0.01 0.00 -1.51 0.00 0.00 37.83 32.73 1bqr s LYS 65 CO -0.05 0.28 -0.15 0.54 -0.36 0.00 0.00 175.35 175.60 1bqr s VAL 66 N 0.35 1.37 -0.27 4.02 0.11 -0.22 -4.99 120.40 120.77 1bqr s VAL 66 Ca 0.16 -0.63 -0.13 0.00 -2.93 0.00 0.00 61.98 58.44 1bqr s VAL 66 Cb -0.13 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.47 1bqr s VAL 66 CO 0.03 0.40 0.30 -0.89 -3.33 0.00 0.00 175.10 171.62 1bqr s THR 67 N 0.43 5.23 -0.17 5.04 2.01 -1.26 -1.25 115.64 125.68 1bqr s THR 67 Ca -0.12 0.42 -0.26 0.00 0.31 0.00 0.00 61.69 62.04 1bqr s THR 67 Cb -0.15 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1bqr s THR 67 CO 0.04 0.20 0.85 -0.36 -0.69 0.00 0.00 174.62 174.66 1bqr s PHE 68 N 1.88 3.43 -0.08 4.92 0.08 -0.61 -4.96 117.98 122.64 1bqr s PHE 68 Ca 0.12 1.29 -0.09 0.00 0.12 0.00 0.00 56.93 58.37 1bqr s PHE 68 Cb -0.16 -3.03 -0.03 0.00 -0.57 0.00 0.00 43.02 39.23 1bqr s PHE 68 CO 0.10 -0.24 -0.17 0.25 -0.10 0.00 0.00 175.22 175.06 1bqr n THR 69 N 4.73 0.75 -2.26 0.64 -2.24 -1.26 -0.85 114.28 113.79 1bqr n THR 69 Ca 0.05 0.31 -0.41 0.00 -2.27 0.00 0.00 64.05 61.72 1bqr n THR 69 Cb 0.49 -1.89 -0.03 0.00 -2.10 0.00 0.00 70.33 66.80 1bqr n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bqr s ALA 70 N -2.89 3.50 0.57 6.98 0.00 -1.26 -4.53 121.76 124.13 1bqr s ALA 70 Ca -0.14 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.70 1bqr s ALA 70 Cb 0.02 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.62 1bqr s ALA 70 CO 0.20 -0.50 1.08 -1.25 0.00 0.00 0.00 175.76 175.29 1bqr s PRO 71 N 0.20 3.32 0.00 0.00 0.04 -1.26 -4.90 135.00 132.40 1bqr s PRO 71 Ca 0.57 1.39 0.00 0.00 0.04 0.00 0.00 61.00 63.01 1bqr s PRO 71 Cb -0.35 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1bqr s PRO 71 CO 0.35 -0.83 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1bqr n GLY 72 N -0.40 0.93 3.82 0.56 0.00 -0.43 -4.80 105.19 104.87 1bqr n GLY 72 Ca 0.10 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.77 1bqr n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqr s VAL 73 N -1.47 5.38 -0.14 1.61 1.01 -1.26 -0.34 120.40 125.19 1bqr s VAL 73 Ca 0.00 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.35 1bqr s VAL 73 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1bqr s VAL 73 CO 0.00 0.54 -0.17 -0.31 0.00 0.00 0.00 175.10 175.16 1bqr s TYR 74 N -0.49 2.74 -0.11 5.22 2.02 0.31 -3.96 117.35 123.09 1bqr s TYR 74 Ca 0.15 -1.02 -0.13 0.00 -0.37 0.00 0.00 57.07 55.71 1bqr s TYR 74 Cb -0.13 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1bqr s TYR 74 CO 0.04 -0.44 0.29 0.20 -1.57 0.00 0.00 175.55 174.07 1bqr s GLY 75 N 0.68 2.28 0.15 0.71 0.00 0.05 -1.03 107.32 110.15 1bqr s GLY 75 Ca -0.08 -0.43 0.09 0.00 0.00 0.00 0.00 44.72 44.30 1bqr s GLY 75 CO 0.02 0.18 -0.19 -1.34 0.00 0.00 0.00 173.10 171.76 1bqr s VAL 76 N -0.29 1.81 0.17 1.40 -7.23 -0.28 -0.86 120.40 115.12 1bqr s VAL 76 Ca 0.18 -1.82 -0.00 0.00 -1.81 0.00 0.00 61.98 58.53 1bqr s VAL 76 Cb -0.14 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 1bqr s VAL 76 CO 0.07 -0.24 0.07 -1.59 -0.31 0.00 0.00 175.10 173.09 1bqr s LYS 77 N -2.56 1.08 -0.18 4.82 -2.85 0.38 -0.84 119.74 119.58 1bqr s LYS 77 Ca 0.13 -1.54 -0.14 0.00 -1.00 0.00 0.00 55.97 53.43 1bqr s LYS 77 Cb -0.07 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.75 1bqr s LYS 77 CO 0.06 -0.27 0.29 0.00 0.10 0.00 0.00 175.35 175.54 1bqr h THR 79 N 4.83 0.59 0.00 0.00 2.02 -1.91 -0.74 112.91 117.70 1bqr h THR 79 Ca -0.39 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 1bqr h THR 79 Cb 1.16 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.15 1bqr h THR 79 CO 0.73 0.00 -0.30 1.55 0.37 0.00 0.00 175.52 177.87 1bqr h PRO 80 N -0.29 0.00 -0.29 6.66 0.13 -1.95 -3.23 132.00 133.03 1bqr h PRO 80 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1bqr h PRO 80 Cb 0.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.48 1bqr h PRO 80 CO -0.15 0.30 0.00 0.72 -0.23 0.00 0.00 178.00 178.64 1bqr n HIS 81 N -3.84 0.82 -0.36 1.56 8.25 -1.07 -4.59 115.22 115.98 1bqr n HIS 81 Ca -0.01 -0.77 0.01 0.00 -0.26 0.00 0.00 57.72 56.69 1bqr n HIS 81 Cb 0.39 -0.23 0.15 0.00 1.12 0.00 0.00 29.99 31.41 1bqr n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1bqr h TYR 82 N 1.89 1.17 0.00 4.41 3.20 -1.16 -1.45 116.97 125.03 1bqr h TYR 82 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1bqr h TYR 82 Cb 1.25 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 1bqr h TYR 82 CO 0.43 0.64 -0.06 0.78 -1.64 0.00 0.00 178.16 178.31 1bqr h GLY 83 N 1.18 0.00 -0.16 1.82 0.00 -1.86 -1.32 103.07 102.73 1bqr h GLY 83 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1bqr h GLY 83 CO -0.15 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.42 1bqr n MET 84 N -3.19 1.50 -0.20 4.80 2.81 -0.60 -4.57 117.12 117.67 1bqr n MET 84 Ca 0.00 -0.73 0.00 0.00 -1.81 0.00 0.00 57.70 55.16 1bqr n MET 84 Cb 0.33 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1bqr n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bqr n GLY 85 N 1.11 0.89 3.54 3.03 0.00 -0.50 -4.80 105.19 108.46 1bqr n GLY 85 Ca 0.19 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1bqr n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1bqr s MET 86 N -0.58 3.54 0.15 1.61 -2.45 -0.89 -4.68 119.30 116.00 1bqr s MET 86 Ca 0.00 -1.13 -0.05 0.00 -1.25 0.00 0.00 55.69 53.26 1bqr s MET 86 Cb 0.00 -5.16 -0.02 0.00 1.25 0.00 0.00 34.83 30.90 1bqr s MET 86 CO 0.00 -2.13 0.17 0.14 1.05 0.00 0.00 175.02 174.25 1bqr s VAL 87 N 4.69 0.09 0.31 10.11 -7.23 -1.26 -1.52 120.40 125.58 1bqr s VAL 87 Ca 0.42 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 1bqr s VAL 87 Cb -0.02 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 35.01 1bqr s VAL 87 CO -0.07 -0.39 0.67 -0.83 -0.31 0.00 0.00 175.10 174.17 1bqr s GLY 88 N -3.01 0.27 -0.02 2.32 0.00 -0.02 -4.38 107.32 102.48 1bqr s GLY 88 Ca 0.20 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.31 1bqr s GLY 88 CO 0.01 -0.32 -0.03 0.14 0.00 0.00 0.00 173.10 172.90 1bqr s VAL 89 N -3.44 0.34 -0.15 1.40 1.01 -0.08 -1.13 120.40 118.34 1bqr s VAL 89 Ca 0.16 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1bqr s VAL 89 Cb -0.04 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.02 1bqr s VAL 89 CO 0.10 0.13 -0.17 -0.69 0.00 0.00 0.00 175.10 174.47 1bqr s VAL 90 N 0.34 1.77 -0.25 2.92 1.01 -0.20 -2.11 120.40 123.89 1bqr s VAL 90 Ca -0.03 -0.77 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 1bqr s VAL 90 Cb -0.07 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1bqr s VAL 90 CO -0.00 0.49 0.21 -1.58 0.00 0.00 0.00 175.10 174.22 1bqr s GLN 91 N 1.28 4.06 -0.37 2.72 0.74 -0.16 -0.53 119.66 127.40 1bqr s GLN 91 Ca 0.02 -0.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.16 1bqr s GLN 91 Cb -0.13 -3.57 0.06 0.00 1.10 0.00 0.00 33.01 30.46 1bqr s GLN 91 CO -0.09 -0.02 0.16 0.08 -0.55 0.00 0.00 175.29 174.86 1bqr s VAL 92 N 1.30 3.86 0.00 1.34 1.01 0.54 -0.44 120.40 128.01 1bqr s VAL 92 Ca 0.09 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.77 1bqr s VAL 92 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1bqr s VAL 92 CO 0.07 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.45 1bqr n GLY 93 N 4.82 -0.59 3.90 4.51 0.00 0.06 -1.31 105.19 116.57 1bqr n GLY 93 Ca -0.11 -1.76 -0.28 0.00 0.00 0.00 0.00 46.02 43.87 1bqr n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqr s ASP 94 N -1.66 6.32 -1.19 1.61 1.01 -1.26 -4.62 116.67 116.87 1bqr s ASP 94 Ca 0.00 1.03 -0.20 0.00 0.71 0.00 0.00 52.55 54.09 1bqr s ASP 94 Cb 0.00 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.64 1bqr s ASP 94 CO 0.00 -0.57 0.72 0.00 0.21 0.00 0.00 175.17 175.53 1bqr n ALA 95 N -2.10 -2.48 -1.67 5.23 0.00 -1.26 -4.82 120.51 113.40 1bqr n ALA 95 Ca 0.02 -0.30 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1bqr n ALA 95 Cb 0.55 -3.50 -0.03 0.00 0.00 0.00 0.00 19.45 16.47 1bqr n ALA 95 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1bqr n PRO 96 N -4.36 2.83 0.26 0.00 -0.04 -1.26 -4.87 135.00 127.56 1bqr n PRO 96 Ca -0.13 1.04 0.15 0.00 -0.04 0.00 0.00 63.50 64.52 1bqr n PRO 96 Cb 0.60 -2.97 0.56 0.00 -0.04 0.00 0.00 33.50 31.65 1bqr n PRO 96 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1bqr h ALA 97 N 9.88 1.00 -0.60 0.55 0.00 -1.87 -3.06 119.26 125.15 1bqr h ALA 97 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1bqr h ALA 97 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1bqr h ALA 97 CO 0.94 0.07 0.00 0.27 0.00 0.00 0.00 179.25 180.53 1bqr n ASN 98 N -3.16 4.58 -0.09 0.00 2.04 -1.26 -4.57 115.26 112.80 1bqr n ASN 98 Ca 0.01 -2.45 -0.06 0.00 -0.44 0.00 0.00 54.58 51.64 1bqr n ASN 98 Cb 0.37 -0.55 0.01 0.00 -2.53 0.00 0.00 39.78 37.07 1bqr n ASN 98 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 1bqr h LEU 99 N 3.80 -0.03 -1.00 -4.53 6.46 -1.91 -0.08 115.31 118.02 1bqr h LEU 99 Ca 0.00 0.06 -0.10 0.00 -0.12 0.00 0.00 57.88 57.72 1bqr h LEU 99 Cb 1.40 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 41.41 1bqr h LEU 99 CO 0.21 0.02 -0.34 -0.33 -0.62 0.00 0.00 178.44 177.38 1bqr h GLU 100 N 0.16 0.29 -0.45 1.25 4.39 -1.85 -2.11 114.58 116.25 1bqr h GLU 100 Ca 0.16 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 1bqr h GLU 100 Cb 0.19 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1bqr h GLU 100 CO -0.22 0.60 -0.20 0.00 -1.16 0.00 0.00 179.01 178.03 1bqr h ALA 101 N 1.39 0.80 0.00 3.43 0.00 -1.75 -2.96 119.26 120.17 1bqr h ALA 101 Ca 0.03 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1bqr h ALA 101 Cb 0.73 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1bqr h ALA 101 CO 0.06 0.65 -0.47 -0.39 0.00 0.00 0.00 179.25 179.10 1bqr h VAL 102 N 0.78 1.14 0.00 0.00 -1.51 -0.70 -2.81 116.25 113.16 1bqr h VAL 102 Ca 0.11 -1.72 -0.05 0.00 -1.23 0.00 0.00 66.70 63.82 1bqr h VAL 102 Cb 0.74 1.98 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 1bqr h VAL 102 CO 0.06 0.46 -0.22 0.11 -1.23 0.00 0.00 177.57 176.74 1bqr h LYS 103 N 0.00 0.00 0.00 5.19 1.57 -1.22 -2.96 116.57 119.14 1bqr h LYS 103 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bqr h LYS 103 Cb 0.94 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1bqr h LYS 103 CO 0.06 0.22 -0.37 0.41 -0.57 0.00 0.00 179.45 179.21 1bqr n GLY 104 N -0.67 -1.34 3.76 3.86 0.00 -1.07 -4.93 105.19 104.80 1bqr n GLY 104 Ca -0.02 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 1bqr n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bqr s ALA 105 N -3.02 2.98 -0.00 4.61 0.00 -1.12 -4.98 121.76 120.23 1bqr s ALA 105 Ca 0.11 1.27 -0.21 0.00 0.00 0.00 0.00 51.96 53.14 1bqr s ALA 105 Cb 0.17 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1bqr s ALA 105 CO 0.65 -1.13 0.60 0.15 0.00 0.00 0.00 175.76 176.03 1bqr s LYS 106 N -2.69 4.32 0.08 0.00 -0.14 -1.26 -5.07 119.74 114.97 1bqr s LYS 106 Ca 0.66 0.75 -0.06 0.00 -1.36 0.00 0.00 55.97 55.96 1bqr s LYS 106 Cb -0.38 -3.34 -0.02 0.00 -1.68 0.00 0.00 37.83 32.41 1bqr s LYS 106 CO 0.47 0.37 0.12 -0.80 -0.76 0.00 0.00 175.35 174.75 1bqr s ASN 107 N -0.20 0.24 0.65 2.83 0.01 -1.26 -5.03 114.94 112.18 1bqr s ASN 107 Ca 0.31 -0.79 -0.17 0.00 -0.71 0.00 0.00 52.86 51.50 1bqr s ASN 107 Cb -0.18 0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.77 1bqr s ASN 107 CO 0.17 -0.70 1.24 -2.16 -1.51 0.00 0.00 177.10 174.15 1bqr s PRO 108 N -3.89 2.58 0.20 -0.60 0.04 -1.26 -4.63 135.00 127.44 1bqr s PRO 108 Ca 0.07 1.90 -0.18 0.00 0.04 0.00 0.00 61.00 62.83 1bqr s PRO 108 Cb 0.06 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.91 1bqr s PRO 108 CO -0.10 -1.53 1.60 -0.22 0.04 0.00 0.00 177.00 176.79 1bqr h LYS 109 N 0.43 -0.10 -0.28 4.56 1.63 -1.96 -0.18 116.57 120.66 1bqr h LYS 109 Ca -0.50 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.24 1bqr h LYS 109 Cb 1.31 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 1bqr h LYS 109 CO 0.53 -0.07 -0.13 0.87 -3.45 0.00 0.00 179.45 177.21 1bqr h LYS 110 N -0.10 0.48 -0.45 1.90 1.57 -1.91 -1.01 116.57 117.04 1bqr h LYS 110 Ca 0.27 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.77 1bqr h LYS 110 Cb 0.53 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1bqr h LYS 110 CO -0.69 0.61 -0.25 0.00 -0.57 0.00 0.00 179.45 178.55 1bqr h ALA 111 N 1.42 0.70 -0.61 3.86 0.00 -1.48 -3.03 119.26 120.12 1bqr h ALA 111 Ca 0.08 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1bqr h ALA 111 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1bqr h ALA 111 CO 0.03 0.67 0.08 0.37 0.00 0.00 0.00 179.25 180.40 1bqr h GLN 112 N 0.82 1.00 -0.69 0.00 5.75 -0.46 0.11 115.11 121.63 1bqr h GLN 112 Ca 0.10 -0.27 0.06 0.00 -0.15 0.00 0.00 58.65 58.39 1bqr h GLN 112 Cb 0.83 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 29.20 1bqr h GLN 112 CO 0.07 0.94 0.39 0.93 -2.65 0.00 0.00 178.83 178.51 1bqr h GLU 113 N 0.94 0.69 0.00 1.69 5.08 -1.21 0.99 114.58 122.77 1bqr h GLU 113 Ca 0.19 -0.04 -0.21 0.00 -1.00 0.00 0.00 59.36 58.30 1bqr h GLU 113 Cb 0.44 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1bqr h GLU 113 CO 0.01 0.46 -0.91 0.00 -1.00 0.00 0.00 179.01 177.57 1bqr h ARG 114 N 0.71 0.27 -0.49 2.33 3.08 -1.34 -2.91 114.38 116.04 1bqr h ARG 114 Ca 0.31 -0.30 -0.10 0.00 0.07 0.00 0.00 59.98 59.96 1bqr h ARG 114 Cb 0.20 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1bqr h ARG 114 CO -0.19 1.01 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.55 1bqr h LEU 115 N 0.15 0.88 -0.84 3.04 3.38 -0.47 -0.76 115.31 120.69 1bqr h LEU 115 Ca -0.06 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.56 1bqr h LEU 115 Cb 1.54 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1bqr h LEU 115 CO 0.15 1.00 0.00 0.44 0.09 0.00 0.00 178.44 180.12 1bqr h ASP 116 N 0.80 0.84 -0.36 -0.43 3.45 -0.81 0.16 116.42 120.07 1bqr h ASP 116 Ca 0.13 -0.21 -0.10 0.00 0.43 0.00 0.00 57.03 57.28 1bqr h ASP 116 Cb 0.62 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1bqr h ASP 116 CO 0.04 0.90 -0.17 0.00 -1.57 0.00 0.00 179.24 178.45 1bqr h ALA 117 N 1.19 0.50 -0.59 3.45 0.00 -1.30 -1.71 119.26 120.81 1bqr h ALA 117 Ca 0.15 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1bqr h ALA 117 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1bqr h ALA 117 CO 0.02 0.42 0.01 0.00 0.00 0.00 0.00 179.25 179.71 1bqr h ALA 118 N 0.79 0.80 -0.76 0.00 0.00 -0.73 -1.85 119.26 117.50 1bqr h ALA 118 Ca 0.08 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1bqr h ALA 118 Cb 0.70 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1bqr h ALA 118 CO 0.05 0.63 0.28 -0.07 0.00 0.00 0.00 179.25 180.14 1bqr h LEU 119 N 0.93 1.07 -1.20 0.00 3.38 -0.94 -2.81 115.31 115.75 1bqr h LEU 119 Ca 0.17 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1bqr h LEU 119 Cb 0.54 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1bqr h LEU 119 CO 0.03 0.97 -0.16 0.00 0.09 0.00 0.00 178.44 179.36 1bqr h ALA 120 N 1.18 1.34 0.00 1.53 0.00 -1.01 -2.22 119.26 120.08 1bqr h ALA 120 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bqr h ALA 120 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1bqr h ALA 120 CO -0.02 0.45 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1bqr h ALA 121 N 1.51 1.00 -0.01 0.00 0.00 -1.08 -1.54 119.26 119.14 1bqr h ALA 121 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bqr h ALA 121 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1bqr h ALA 121 CO 0.03 0.00 -0.09 1.28 0.00 0.00 0.00 179.25 180.47 1bqr n LEU 122 N -2.92 0.64 -0.03 0.00 4.77 -0.87 -4.85 117.00 113.75 1bqr n LEU 122 Ca 0.00 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1bqr n LEU 122 Cb 0.25 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1bqr n LEU 122 CO 0.24 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1bqr n GLY 123 N 1.23 0.68 0.01 -0.72 0.00 -0.58 -5.13 105.19 100.68 1bqr n GLY 123 Ca 0.16 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1bqr n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02