#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bex n GLU 2 N 0.00 0.64 -0.82 0.00 1.02 -1.26 -4.81 120.64 115.40 1bex n GLU 2 Ca 0.00 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.21 1bex n GLU 2 Cb 0.00 -1.53 0.08 0.00 -0.02 0.00 0.00 31.44 29.97 1bex n GLU 2 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bex s SER 4 N -0.28 -0.45 0.00 0.00 1.04 -1.26 -2.16 113.70 110.58 1bex s SER 4 Ca 0.35 0.21 -0.00 0.00 0.48 0.00 0.00 55.95 56.99 1bex s SER 4 Cb 0.28 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.84 1bex s SER 4 CO 0.03 -0.62 0.00 0.54 0.98 0.00 0.00 173.24 174.17 1bex s VAL 5 N -2.47 0.02 -0.29 5.02 0.11 -0.60 -4.96 120.40 117.23 1bex s VAL 5 Ca 0.00 -0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 58.82 1bex s VAL 5 Cb -0.01 -0.06 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 1bex s VAL 5 CO -0.04 -0.07 0.15 -1.81 -3.33 0.00 0.00 175.10 170.00 1bex s ASP 6 N -0.22 5.64 -0.02 3.54 1.01 -1.26 -1.03 116.67 124.33 1bex s ASP 6 Ca -0.02 -0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.01 1bex s ASP 6 Cb -0.02 -2.03 -0.03 0.00 1.01 0.00 0.00 42.92 41.85 1bex s ASP 6 CO -0.00 -0.11 -0.11 -0.63 0.21 0.00 0.00 175.17 174.52 1bex s ILE 7 N 1.67 3.29 -0.08 0.77 -1.09 0.14 -4.94 121.20 120.97 1bex s ILE 7 Ca 0.06 -0.79 0.04 0.00 -2.23 0.00 0.00 60.65 57.74 1bex s ILE 7 Cb -0.16 -2.36 -0.01 0.00 -1.58 0.00 0.00 42.46 38.34 1bex s ILE 7 CO 0.07 0.48 -0.22 -1.10 -1.23 0.00 0.00 174.94 172.95 1bex s GLN 8 N -1.09 2.77 -0.23 2.79 -0.21 -1.26 -0.79 119.66 121.64 1bex s GLN 8 Ca 0.14 -0.84 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1bex s GLN 8 Cb -0.11 -2.29 0.04 0.00 1.00 0.00 0.00 33.01 31.65 1bex s GLN 8 CO 0.04 0.35 -0.14 0.20 -2.12 0.00 0.00 175.29 173.62 1bex s GLY 9 N -0.06 1.55 0.55 3.09 0.00 0.30 -1.41 107.32 111.33 1bex s GLY 9 Ca -0.06 -1.51 0.08 0.00 0.00 0.00 0.00 44.72 43.24 1bex s GLY 9 CO 0.05 0.47 0.65 0.54 0.00 0.00 0.00 173.10 174.80 1bex s ASN 10 N 1.21 5.02 0.00 1.64 6.03 -0.90 -3.74 114.94 124.19 1bex s ASN 10 Ca -0.02 -0.92 0.11 0.00 -1.03 0.00 0.00 52.86 51.00 1bex s ASN 10 Cb -0.17 0.21 0.58 0.00 -3.03 0.00 0.00 41.25 38.85 1bex s ASN 10 CO -0.08 -1.20 1.20 0.47 -2.03 0.00 0.00 177.10 175.46 1bex n ASP 11 N -2.05 0.00 -1.25 3.54 8.00 -1.24 -2.02 116.55 121.53 1bex n ASP 11 Ca 0.10 -0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.68 1bex n ASP 11 Cb 0.62 -0.20 0.30 0.00 -0.02 0.00 0.00 41.12 41.81 1bex n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bex n GLN 12 N -1.20 3.34 -3.07 -1.24 3.00 -1.26 -4.96 117.38 111.99 1bex n GLN 12 Ca 0.06 -2.68 -0.13 0.00 -0.01 0.00 0.00 57.00 54.24 1bex n GLN 12 Cb 0.07 -1.72 0.07 0.00 0.00 0.00 0.00 30.24 28.66 1bex n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1bex n MET 13 N 0.79 -4.31 -3.96 -1.09 1.56 -0.86 -5.04 117.12 104.22 1bex n MET 13 Ca 0.22 0.68 -0.11 0.00 -0.27 0.00 0.00 57.70 58.22 1bex n MET 13 Cb 0.76 -5.11 -0.12 0.00 2.15 0.00 0.00 33.22 30.90 1bex n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1bex s GLN 14 N -4.81 0.22 0.09 2.12 -0.21 -1.26 -4.38 119.66 111.43 1bex s GLN 14 Ca 0.10 -0.38 -0.03 0.00 0.02 0.00 0.00 55.36 55.08 1bex s GLN 14 Cb -0.01 0.01 -0.05 0.00 1.00 0.00 0.00 33.01 33.96 1bex s GLN 14 CO 0.58 -0.01 0.29 -0.06 -2.12 0.00 0.00 175.29 173.96 1bex s PHE 15 N -0.85 3.50 -1.03 0.91 0.08 -1.26 -2.12 117.98 117.21 1bex s PHE 15 Ca -0.09 0.41 0.00 0.00 0.12 0.00 0.00 56.93 57.37 1bex s PHE 15 Cb -0.06 -1.88 0.00 0.00 -0.57 0.00 0.00 43.02 40.51 1bex s PHE 15 CO -0.00 0.52 0.51 0.27 -0.10 0.00 0.00 175.22 176.42 1bex n ASN 16 N 0.26 0.97 -3.60 1.36 0.23 -0.50 -4.79 115.26 109.19 1bex n ASN 16 Ca -0.04 -1.99 -0.09 0.00 -0.53 0.00 0.00 54.58 51.93 1bex n ASN 16 Cb 0.51 -0.48 -0.05 0.00 -2.08 0.00 0.00 39.78 37.68 1bex n ASN 16 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1bex s THR 17 N -1.03 0.00 -0.07 5.53 -1.32 -1.26 -4.97 115.64 112.52 1bex s THR 17 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1bex s THR 17 Cb 0.00 -1.00 0.16 0.00 -1.51 0.00 0.00 72.50 70.15 1bex s THR 17 CO 0.00 0.00 1.06 -0.46 -2.21 0.00 0.00 174.62 173.01 1bex n ASN 18 N 1.05 1.86 -3.66 8.08 0.23 -1.26 -4.84 115.26 116.71 1bex n ASN 18 Ca -0.10 -2.55 -0.06 0.00 -0.53 0.00 0.00 54.58 51.34 1bex n ASN 18 Cb 0.58 -0.26 -0.08 0.00 -2.08 0.00 0.00 39.78 37.94 1bex n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bex s ALA 19 N -1.88 -1.57 0.04 -2.53 0.00 -1.26 -2.18 121.76 112.39 1bex s ALA 19 Ca 0.18 1.96 0.08 0.00 0.00 0.00 0.00 51.96 54.18 1bex s ALA 19 Cb 0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1bex s ALA 19 CO 0.02 -0.64 -0.22 0.42 0.00 0.00 0.00 175.76 175.33 1bex s ILE 20 N 2.28 1.81 -0.04 0.00 1.01 0.86 -4.97 121.20 122.14 1bex s ILE 20 Ca -0.06 -1.25 0.03 0.00 0.00 0.00 0.00 60.65 59.37 1bex s ILE 20 Cb -0.10 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1bex s ILE 20 CO -0.16 0.26 -0.13 0.42 0.00 0.00 0.00 174.94 175.33 1bex s THR 21 N -0.79 1.11 -0.25 2.92 -4.23 -1.26 -1.93 115.64 111.21 1bex s THR 21 Ca 0.09 -0.51 -0.08 0.00 -1.18 0.00 0.00 61.69 60.00 1bex s THR 21 Cb -0.09 -0.98 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1bex s THR 21 CO 0.02 0.34 0.10 -0.69 -0.54 0.00 0.00 174.62 173.85 1bex s VAL 22 N 0.30 4.67 -0.32 2.29 1.01 0.38 -4.94 120.40 123.79 1bex s VAL 22 Ca -0.07 -0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 1bex s VAL 22 Cb -0.12 -3.18 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 1bex s VAL 22 CO 0.02 0.34 1.94 -0.62 0.00 0.00 0.00 175.10 176.77 1bex s ASP 23 N 1.42 5.70 0.49 3.32 -1.08 -1.26 -1.09 116.67 124.17 1bex s ASP 23 Ca 0.06 1.41 0.37 0.00 -0.52 0.00 0.00 52.55 53.87 1bex s ASP 23 Cb -0.15 -2.52 1.53 0.00 -1.46 0.00 0.00 42.92 40.32 1bex s ASP 23 CO 0.05 -1.85 1.65 0.50 0.52 0.00 0.00 175.17 176.04 1bex h LYS 24 N 13.78 0.06 0.00 4.34 3.64 -1.91 0.00 116.57 136.48 1bex h LYS 24 Ca -0.35 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1bex h LYS 24 Cb 1.19 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1bex h LYS 24 CO 1.02 0.04 -0.04 0.77 -2.27 0.00 0.00 179.45 178.97 1bex h SER 25 N 0.06 0.00 -3.60 4.20 0.02 -1.94 -3.46 113.55 108.83 1bex h SER 25 Ca 0.80 -0.01 -0.53 0.00 -0.84 0.00 0.00 61.79 61.21 1bex h SER 25 Cb 2.85 0.00 0.07 0.00 0.14 0.00 0.00 62.40 65.46 1bex h SER 25 CO -0.20 0.00 0.73 0.00 -1.14 0.00 0.00 176.83 176.22 1bex h LYS 27 N 4.26 0.08 -4.63 0.00 1.57 -1.88 -3.42 116.57 112.55 1bex h LYS 27 Ca -0.48 -0.08 -0.26 0.00 -1.87 0.00 0.00 60.65 57.97 1bex h LYS 27 Cb 1.22 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.41 1bex h LYS 27 CO 0.72 0.85 -0.63 -0.65 -0.57 0.00 0.00 179.45 179.18 1bex s GLN 28 N -3.21 1.19 -0.02 3.15 -0.21 -1.26 -1.90 119.66 117.40 1bex s GLN 28 Ca -0.01 -1.62 -0.01 0.00 0.02 0.00 0.00 55.36 53.73 1bex s GLN 28 Cb 0.11 0.13 0.01 0.00 1.00 0.00 0.00 33.01 34.26 1bex s GLN 28 CO 0.80 -0.34 0.05 0.12 -2.12 0.00 0.00 175.29 173.81 1bex s PHE 29 N -4.03 -0.05 -0.06 0.91 5.36 -0.36 -4.78 117.98 114.98 1bex s PHE 29 Ca 0.35 0.15 0.04 0.00 -0.96 0.00 0.00 56.93 56.52 1bex s PHE 29 Cb 0.07 -0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.72 1bex s PHE 29 CO 0.10 -0.05 -0.18 0.99 -1.46 0.00 0.00 175.22 174.63 1bex s THR 30 N 0.28 1.54 -0.15 0.12 2.01 -0.92 -0.85 115.64 117.66 1bex s THR 30 Ca -0.02 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.19 1bex s THR 30 Cb -0.03 -1.33 -0.03 0.00 0.01 0.00 0.00 72.50 71.12 1bex s THR 30 CO -0.01 0.44 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.64 1bex s VAL 31 N 0.21 3.96 -0.37 3.82 1.01 0.65 -1.56 120.40 128.13 1bex s VAL 31 Ca -0.09 -0.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.53 1bex s VAL 31 Cb -0.14 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.60 1bex s VAL 31 CO 0.04 0.50 0.13 0.20 0.00 0.00 0.00 175.10 175.97 1bex s ASN 32 N 0.26 5.14 -0.00 3.32 0.02 -0.20 -1.34 114.94 122.13 1bex s ASN 32 Ca -0.02 -1.74 -0.15 0.00 -1.02 0.00 0.00 52.86 49.93 1bex s ASN 32 Cb -0.14 -1.79 -0.06 0.00 0.02 0.00 0.00 41.25 39.28 1bex s ASN 32 CO 0.03 -0.44 0.43 -0.22 0.02 0.00 0.00 177.10 176.92 1bex s LEU 33 N 1.19 4.47 0.15 0.60 2.96 0.40 0.25 118.68 128.70 1bex s LEU 33 Ca 0.04 0.98 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 1bex s LEU 33 Cb -0.21 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 1bex s LEU 33 CO -0.03 0.30 0.04 -0.94 -1.32 0.00 0.00 176.35 174.40 1bex s SER 34 N -0.96 0.67 -0.52 3.68 1.04 0.03 -2.23 113.70 115.41 1bex s SER 34 Ca 0.24 -1.21 0.04 0.00 0.48 0.00 0.00 55.95 55.50 1bex s SER 34 Cb -0.17 0.23 0.16 0.00 0.10 0.00 0.00 66.02 66.34 1bex s SER 34 CO 0.14 -0.67 0.38 -2.28 0.98 0.00 0.00 173.24 171.78 1bex s HIS 35 N -3.90 2.11 0.85 5.02 2.46 -1.12 -0.54 115.29 120.18 1bex s HIS 35 Ca 0.25 -2.69 -0.10 0.00 0.47 0.00 0.00 55.06 52.98 1bex s HIS 35 Cb 0.07 -1.71 0.11 0.00 -0.13 0.00 0.00 32.58 30.92 1bex s HIS 35 CO 0.03 -0.72 1.13 -1.25 -2.47 0.00 0.00 174.74 171.46 1bex s PRO 36 N -0.42 1.52 0.00 2.88 0.04 -1.25 -0.02 135.00 137.76 1bex s PRO 36 Ca 0.27 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1bex s PRO 36 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1bex s PRO 36 CO -0.15 -2.23 0.00 0.41 0.04 0.00 0.00 177.00 175.06 1bex n GLY 37 N -0.30 -0.39 0.00 0.56 0.00 -1.26 -3.66 105.19 100.15 1bex n GLY 37 Ca 0.11 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1bex n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1bex n ASN 38 N 0.00 0.69 -4.72 1.61 4.13 -1.26 -4.40 115.26 111.31 1bex n ASN 38 Ca 0.00 -0.24 -0.42 0.00 1.68 0.00 0.00 54.58 55.60 1bex n ASN 38 Cb 0.00 0.62 -0.03 0.00 -1.54 0.00 0.00 39.78 38.83 1bex n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1bex s LEU 39 N -1.38 4.39 0.92 3.41 1.43 -1.26 -4.81 118.68 121.38 1bex s LEU 39 Ca 0.00 2.05 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1bex s LEU 39 Cb 0.00 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.78 1bex s LEU 39 CO 0.00 -0.44 1.09 -2.16 0.23 0.00 0.00 176.35 175.07 1bex s PRO 40 N 0.79 1.09 0.38 1.29 0.04 -1.26 -1.81 135.00 135.53 1bex s PRO 40 Ca 0.57 0.89 0.12 0.00 0.04 0.00 0.00 61.00 62.63 1bex s PRO 40 Cb -0.30 -1.78 0.77 0.00 0.04 0.00 0.00 34.50 33.23 1bex s PRO 40 CO 0.30 -2.38 1.86 1.57 0.04 0.00 0.00 177.00 178.40 1bex h LYS 41 N -1.65 0.03 0.00 4.56 2.10 -1.84 0.19 116.57 119.96 1bex h LYS 41 Ca -0.50 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1bex h LYS 41 Cb 1.28 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1bex h LYS 41 CO 0.53 0.34 0.00 -2.95 -2.00 0.00 0.00 179.45 175.37 1bex h ASN 42 N 0.03 0.00 0.00 7.07 -1.07 -1.93 0.12 115.58 119.80 1bex h ASN 42 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.26 1bex h ASN 42 Cb 0.57 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.80 1bex h ASN 42 CO 0.04 0.00 -1.43 0.52 0.07 0.00 0.00 177.43 176.63 1bex n VAL 43 N -2.36 0.40 -2.75 6.14 0.31 -0.81 -4.84 118.33 114.42 1bex n VAL 43 Ca 0.01 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 1bex n VAL 43 Cb 0.18 -0.73 0.09 0.00 -0.91 0.00 0.00 33.84 32.46 1bex n VAL 43 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 1bex n MET 44 N -2.20 1.51 -2.33 5.55 2.81 0.60 -4.99 117.12 118.08 1bex n MET 44 Ca -0.10 -2.36 -0.39 0.00 -1.81 0.00 0.00 57.70 53.05 1bex n MET 44 Cb 0.66 -0.58 -0.03 0.00 -0.71 0.00 0.00 33.22 32.57 1bex n MET 44 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1bex s GLY 45 N -2.42 2.91 -0.00 3.03 0.00 0.41 -4.71 107.32 106.54 1bex s GLY 45 Ca 0.18 0.96 0.05 0.00 0.00 0.00 0.00 44.72 45.91 1bex s GLY 45 CO -0.08 1.50 -0.15 0.30 0.00 0.00 0.00 173.10 174.66 1bex s HIS 46 N -1.36 1.38 0.25 1.90 3.76 -0.02 -4.65 115.29 116.55 1bex s HIS 46 Ca 0.54 -0.27 0.02 0.00 -0.15 0.00 0.00 55.06 55.20 1bex s HIS 46 Cb -0.31 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 1bex s HIS 46 CO 0.39 -0.01 0.05 0.54 -0.85 0.00 0.00 174.74 174.87 1bex s ASN 47 N -0.48 1.52 -0.19 1.40 4.22 -1.26 0.18 114.94 120.33 1bex s ASN 47 Ca 0.06 -1.31 0.01 0.00 -2.14 0.00 0.00 52.86 49.47 1bex s ASN 47 Cb -0.06 0.08 0.03 0.00 1.28 0.00 0.00 41.25 42.58 1bex s ASN 47 CO -0.00 -0.64 -0.14 0.86 -2.04 0.00 0.00 177.10 175.14 1bex s TRP 48 N -3.59 2.53 -0.01 1.54 -0.00 -1.26 -4.01 118.94 114.13 1bex s TRP 48 Ca 0.33 -1.57 0.06 0.00 -0.00 0.00 0.00 56.10 54.92 1bex s TRP 48 Cb 0.07 -1.73 -0.02 0.00 -0.00 0.00 0.00 33.47 31.80 1bex s TRP 48 CO 0.11 -0.75 -0.20 0.08 -0.00 0.00 0.00 176.95 176.19 1bex s VAL 49 N 1.37 1.57 -0.07 5.86 1.01 -0.20 -0.89 120.40 129.04 1bex s VAL 49 Ca 0.01 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.15 1bex s VAL 49 Cb -0.15 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1bex s VAL 49 CO -0.10 0.41 -0.18 -0.22 0.00 0.00 0.00 175.10 175.01 1bex s LEU 50 N -0.54 1.90 0.29 3.92 2.96 -0.01 0.18 118.68 127.37 1bex s LEU 50 Ca 0.08 -0.42 -0.08 0.00 -0.22 0.00 0.00 54.13 53.49 1bex s LEU 50 Cb -0.08 -1.10 -0.00 0.00 0.50 0.00 0.00 46.19 45.51 1bex s LEU 50 CO -0.00 0.12 0.47 -0.94 -1.32 0.00 0.00 176.35 174.68 1bex s SER 51 N 0.33 0.33 1.12 3.68 1.04 -0.83 -0.55 113.70 118.81 1bex s SER 51 Ca -0.12 -1.20 -0.15 0.00 0.48 0.00 0.00 55.95 54.96 1bex s SER 51 Cb -0.15 0.62 0.25 0.00 0.10 0.00 0.00 66.02 66.84 1bex s SER 51 CO 0.05 -1.22 1.07 0.42 0.98 0.00 0.00 173.24 174.54 1bex s THR 52 N -3.53 1.86 0.23 2.02 -4.23 -1.26 -1.17 115.64 109.56 1bex s THR 52 Ca 0.26 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1bex s THR 52 Cb -0.00 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.44 1bex s THR 52 CO 0.14 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.79 1bex h ALA 53 N -2.34 0.84 0.00 3.99 0.00 0.11 -3.11 119.26 118.75 1bex h ALA 53 Ca -0.54 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 53.82 1bex h ALA 53 Cb 1.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1bex h ALA 53 CO 0.50 0.68 -0.27 0.00 0.00 0.00 0.00 179.25 180.15 1bex h ALA 54 N 1.13 1.28 0.00 0.00 0.00 -1.91 -3.07 119.26 116.70 1bex h ALA 54 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1bex h ALA 54 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1bex h ALA 54 CO 0.09 0.34 -0.79 -0.25 0.00 0.00 0.00 179.25 178.64 1bex n ASP 55 N -3.82 0.63 -0.20 0.00 8.00 -1.19 -4.53 116.55 115.44 1bex n ASP 55 Ca -0.01 -0.14 -0.02 0.00 0.71 0.00 0.00 54.79 55.33 1bex n ASP 55 Cb 0.36 0.49 0.04 0.00 -0.02 0.00 0.00 41.12 41.99 1bex n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1bex h MET 56 N 0.00 -0.05 -0.70 -1.24 1.85 -1.47 -2.09 114.93 111.22 1bex h MET 56 Ca 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 59.70 59.10 1bex h MET 56 Cb 0.68 0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.69 1bex h MET 56 CO 0.00 -0.04 0.46 1.96 -0.40 0.00 0.00 176.91 178.90 1bex h GLN 57 N -0.06 0.91 -0.25 0.39 1.08 -1.81 -1.17 115.11 114.20 1bex h GLN 57 Ca 0.28 -0.05 -0.12 0.00 -1.45 0.00 0.00 58.65 57.30 1bex h GLN 57 Cb 0.48 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1bex h GLN 57 CO -0.64 0.60 -0.34 0.78 -0.95 0.00 0.00 178.83 178.28 1bex h GLY 58 N 0.94 0.60 1.47 3.46 0.00 -1.77 -0.99 103.07 106.77 1bex h GLY 58 Ca 0.26 -0.55 -0.13 0.00 0.00 0.00 0.00 47.33 46.91 1bex h GLY 58 CO -0.06 0.50 -0.39 -2.08 0.00 0.00 0.00 176.54 174.51 1bex h VAL 59 N 0.46 1.30 -0.04 4.60 2.07 -1.09 -1.42 116.25 122.13 1bex h VAL 59 Ca 0.05 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.01 1bex h VAL 59 Cb 0.82 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1bex h VAL 59 CO 0.07 0.49 -0.05 0.58 0.02 0.00 0.00 177.57 178.68 1bex h VAL 60 N 0.49 1.39 -0.33 2.57 2.07 -1.00 -0.95 116.25 120.48 1bex h VAL 60 Ca 0.04 -1.23 -0.13 0.00 0.82 0.00 0.00 66.70 66.21 1bex h VAL 60 Cb 0.89 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 1bex h VAL 60 CO 0.08 0.33 -0.30 0.71 0.02 0.00 0.00 177.57 178.41 1bex h THR 61 N -0.36 1.29 0.00 2.57 1.35 -1.20 -0.81 112.91 115.75 1bex h THR 61 Ca 0.01 -1.47 -0.09 0.00 -0.55 0.00 0.00 66.41 64.31 1bex h THR 61 Cb 0.56 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1bex h THR 61 CO 0.01 0.48 -0.41 0.44 -0.25 0.00 0.00 175.52 175.79 1bex h ASP 62 N 0.55 0.00 -0.20 5.36 3.32 -1.35 -2.96 116.42 121.15 1bex h ASP 62 Ca 0.06 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1bex h ASP 62 Cb 0.88 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 1bex h ASP 62 CO 0.08 0.41 0.02 1.23 -1.72 0.00 0.00 179.24 179.26 1bex h GLY 63 N 1.40 0.36 0.39 2.75 0.00 -0.89 -2.86 103.07 104.22 1bex h GLY 63 Ca -0.00 -0.25 0.07 0.00 0.00 0.00 0.00 47.33 47.15 1bex h GLY 63 CO 0.05 0.23 -0.02 1.98 0.00 0.00 0.00 176.54 178.79 1bex h MET 64 N 0.12 0.08 0.00 4.80 1.85 -1.03 -1.94 114.93 118.81 1bex h MET 64 Ca 0.06 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1bex h MET 64 Cb 0.33 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.34 1bex h MET 64 CO 0.01 0.05 0.00 0.00 -0.40 0.00 0.00 176.91 176.57 1bex n ALA 65 N -2.54 1.43 0.14 0.39 0.00 -1.13 -2.90 120.51 115.90 1bex n ALA 65 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.52 1bex n ALA 65 Cb 0.19 -1.25 0.08 0.00 0.00 0.00 0.00 19.45 18.48 1bex n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1bex h SER 66 N 0.00 0.00 -5.00 0.00 0.02 -1.12 -3.50 113.55 103.95 1bex h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1bex h SER 66 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1bex h SER 66 CO 0.00 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 176.85 1bex n GLY 67 N 0.98 1.15 0.20 -3.77 0.00 -1.14 -4.41 105.19 98.20 1bex n GLY 67 Ca 0.01 -2.03 -0.17 0.00 0.00 0.00 0.00 46.02 43.83 1bex n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bex h LEU 68 N 0.00 0.83 -1.22 0.99 5.85 -1.93 0.87 115.31 120.70 1bex h LEU 68 Ca 0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.13 1bex h LEU 68 Cb 0.00 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1bex h LEU 68 CO 0.00 1.39 0.03 0.47 -0.34 0.00 0.00 178.44 179.99 1bex n ASP 69 N -3.88 0.47 -0.36 1.25 9.92 -1.26 -1.12 116.55 121.58 1bex n ASP 69 Ca -0.08 0.71 0.03 0.00 -0.53 0.00 0.00 54.79 54.92 1bex n ASP 69 Cb 0.79 -0.76 0.07 0.00 -0.64 0.00 0.00 41.12 40.59 1bex n ASP 69 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bex n LYS 70 N -2.15 1.97 -2.18 -1.24 5.02 -1.17 -4.96 118.16 113.45 1bex n LYS 70 Ca -0.01 -1.55 -0.10 0.00 -2.02 0.00 0.00 58.31 54.63 1bex n LYS 70 Cb 0.06 -1.16 -0.01 0.00 -0.02 0.00 0.00 35.03 33.91 1bex n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1bex n ASP 71 N 0.22 -3.39 -4.09 4.39 9.92 -0.27 -3.06 116.55 120.27 1bex n ASP 71 Ca 0.06 -0.01 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 1bex n ASP 71 Cb 0.30 -2.64 -0.04 0.00 -0.64 0.00 0.00 41.12 38.10 1bex n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1bex n TYR 72 N -4.00 -1.59 -3.76 1.24 4.01 0.29 -4.79 117.16 108.56 1bex n TYR 72 Ca -0.12 0.73 -0.14 0.00 -0.16 0.00 0.00 57.90 58.21 1bex n TYR 72 Cb 0.59 -3.36 -0.15 0.00 -0.31 0.00 0.00 39.34 36.11 1bex n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1bex s LEU 73 N -7.12 0.95 -0.07 7.72 2.96 -1.17 -4.15 118.68 117.79 1bex s LEU 73 Ca 0.19 0.15 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 1bex s LEU 73 Cb -0.10 0.11 -0.05 0.00 0.50 0.00 0.00 46.19 46.65 1bex s LEU 73 CO 0.92 -0.13 1.62 -0.75 -1.32 0.00 0.00 176.35 176.69 1bex s LYS 74 N 1.09 4.16 0.16 1.98 2.20 -1.26 -4.87 119.74 123.19 1bex s LYS 74 Ca -0.09 2.12 -0.34 0.00 -0.36 0.00 0.00 55.97 57.30 1bex s LYS 74 Cb -0.12 -3.97 -0.16 0.00 -1.51 0.00 0.00 37.83 32.07 1bex s LYS 74 CO -0.04 -0.87 1.27 -2.30 -0.36 0.00 0.00 175.35 173.05 1bex n PRO 75 N 7.13 1.32 -2.66 4.03 -0.02 -1.26 -1.36 135.00 142.17 1bex n PRO 75 Ca 0.17 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.91 1bex n PRO 75 Cb 0.43 -2.05 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 1bex n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1bex n ASP 76 N 2.26 -6.04 -4.62 2.55 8.00 -1.26 -4.90 116.55 112.54 1bex n ASP 76 Ca 0.16 -0.13 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 1bex n ASP 76 Cb 0.24 -4.96 -0.03 0.00 -0.02 0.00 0.00 41.12 36.35 1bex n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1bex s ASP 77 N -2.33 6.27 0.55 -2.24 -1.08 -0.47 -4.83 116.67 112.54 1bex s ASP 77 Ca 0.13 1.59 0.36 0.00 -0.52 0.00 0.00 52.55 54.11 1bex s ASP 77 Cb -0.06 -2.53 1.75 0.00 -1.46 0.00 0.00 42.92 40.62 1bex s ASP 77 CO 0.16 -1.35 2.09 0.77 0.52 0.00 0.00 175.17 177.35 1bex h SER 78 N 11.21 0.00 1.10 -0.34 4.64 -1.90 -2.87 113.55 125.39 1bex h SER 78 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 1bex h SER 78 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1bex h SER 78 CO 1.01 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.51 1bex n ARG 79 N -2.92 0.15 -2.77 4.77 1.74 -1.26 -4.78 116.66 111.59 1bex n ARG 79 Ca -0.01 0.21 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 1bex n ARG 79 Cb 0.18 -1.71 -0.03 0.00 -1.02 0.00 0.00 32.46 29.88 1bex n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bex s VAL 80 N -3.11 4.58 0.02 1.55 1.01 -1.09 -4.51 120.40 118.86 1bex s VAL 80 Ca 0.10 1.37 -0.13 0.00 0.00 0.00 0.00 61.98 63.32 1bex s VAL 80 Cb 0.13 -4.34 -0.34 0.00 0.00 0.00 0.00 36.38 31.83 1bex s VAL 80 CO 0.50 -0.49 0.95 0.40 0.00 0.00 0.00 175.10 176.47 1bex h ILE 81 N 5.77 1.24 -2.06 2.22 2.04 -1.13 -3.48 117.51 122.11 1bex h ILE 81 Ca -0.22 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 62.91 1bex h ILE 81 Cb 1.07 2.98 -0.19 0.00 -0.74 0.00 0.00 36.82 39.94 1bex h ILE 81 CO 0.99 0.83 0.30 0.00 0.00 0.00 0.00 178.15 180.26 1bex s ALA 82 N -2.60 -1.79 -0.04 1.87 0.00 -1.23 -5.02 121.76 112.94 1bex s ALA 82 Ca -0.10 1.25 -0.30 0.00 0.00 0.00 0.00 51.96 52.81 1bex s ALA 82 Cb 0.05 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.24 1bex s ALA 82 CO 0.92 -0.43 0.74 -3.38 0.00 0.00 0.00 175.76 173.61 1bex s HIS 83 N -1.66 -0.58 0.28 0.00 -3.43 -1.26 -0.83 115.29 107.81 1bex s HIS 83 Ca -0.06 0.90 0.05 0.00 -0.80 0.00 0.00 55.06 55.14 1bex s HIS 83 Cb -0.00 0.44 0.05 0.00 -1.43 0.00 0.00 32.58 31.63 1bex s HIS 83 CO 0.04 -0.58 0.38 0.25 -2.00 0.00 0.00 174.74 172.82 1bex n THR 84 N 0.67 0.00 -2.82 -5.38 -2.24 -0.07 -4.80 114.28 99.64 1bex n THR 84 Ca -0.17 -0.96 -0.22 0.00 -2.27 0.00 0.00 64.05 60.44 1bex n THR 84 Cb 0.58 -0.73 0.10 0.00 -2.10 0.00 0.00 70.33 68.18 1bex n THR 84 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1bex s LYS 85 N -3.27 1.87 -0.13 -0.78 -2.85 -1.26 -4.58 119.74 108.74 1bex s LYS 85 Ca 0.29 -1.46 -0.29 0.00 -1.00 0.00 0.00 55.97 53.51 1bex s LYS 85 Cb -0.02 -2.47 -0.01 0.00 -2.06 0.00 0.00 37.83 33.27 1bex s LYS 85 CO 0.18 -1.26 1.00 -1.17 0.10 0.00 0.00 175.35 174.20 1bex s LEU 86 N -4.95 4.22 0.11 2.77 2.96 -1.26 -4.23 118.68 118.29 1bex s LEU 86 Ca 0.65 1.48 0.07 0.00 -0.22 0.00 0.00 54.13 56.12 1bex s LEU 86 Cb -0.05 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 43.07 1bex s LEU 86 CO 0.43 -0.48 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.22 1bex s ILE 87 N 2.23 3.26 0.35 6.68 1.09 0.13 -4.84 121.20 130.10 1bex s ILE 87 Ca 0.47 -1.32 0.08 0.00 -1.10 0.00 0.00 60.65 58.78 1bex s ILE 87 Cb -0.18 -2.52 -0.04 0.00 -1.06 0.00 0.00 42.46 38.66 1bex s ILE 87 CO 0.15 0.11 0.18 -0.83 -0.10 0.00 0.00 174.94 174.45 1bex s GLY 88 N -2.19 1.94 0.41 6.18 0.00 -1.26 -0.84 107.32 111.56 1bex s GLY 88 Ca 0.21 -1.81 -0.24 0.00 0.00 0.00 0.00 44.72 42.87 1bex s GLY 88 CO 0.13 -1.73 1.00 -1.14 0.00 0.00 0.00 173.10 171.36 1bex n SER 89 N -1.20 1.23 0.00 1.64 3.41 -0.75 -1.02 113.62 116.93 1bex n SER 89 Ca -0.03 1.04 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 1bex n SER 89 Cb 0.61 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 1bex n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bex n GLY 90 N 1.19 0.77 3.95 5.00 0.00 0.97 -4.93 105.19 112.15 1bex n GLY 90 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1bex n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bex s GLU 91 N -0.22 2.64 0.02 1.61 2.02 -0.19 -4.94 118.70 119.64 1bex s GLU 91 Ca 0.00 -1.43 -0.12 0.00 0.02 0.00 0.00 54.97 53.44 1bex s GLU 91 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 34.13 31.68 1bex s GLU 91 CO 0.00 -0.30 0.24 0.15 0.02 0.00 0.00 175.26 175.37 1bex s LYS 92 N -4.28 0.68 0.02 1.61 1.02 -1.26 -2.80 119.74 114.73 1bex s LYS 92 Ca 0.52 -0.44 -0.25 0.00 0.02 0.00 0.00 55.97 55.82 1bex s LYS 92 Cb -0.06 0.29 0.06 0.00 -0.52 0.00 0.00 37.83 37.60 1bex s LYS 92 CO 0.31 -0.19 0.58 0.34 -0.92 0.00 0.00 175.35 175.47 1bex s ASP 93 N -1.75 -0.53 0.02 2.83 2.15 -0.95 -5.03 116.67 113.42 1bex s ASP 93 Ca -0.09 0.36 0.01 0.00 0.43 0.00 0.00 52.55 53.26 1bex s ASP 93 Cb -0.03 0.51 -0.02 0.00 -0.30 0.00 0.00 42.92 43.08 1bex s ASP 93 CO -0.00 -0.69 -0.05 -0.44 -0.17 0.00 0.00 175.17 173.82 1bex s SER 94 N -1.73 0.46 -0.01 -0.34 0.01 -1.26 -0.45 113.70 110.38 1bex s SER 94 Ca -0.07 -0.44 0.03 0.00 1.31 0.00 0.00 55.95 56.78 1bex s SER 94 Cb -0.01 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.27 1bex s SER 94 CO 0.02 -0.21 -0.10 0.54 0.41 0.00 0.00 173.24 173.89 1bex s VAL 95 N -1.20 0.83 -0.03 3.43 0.11 -0.45 -4.95 120.40 118.14 1bex s VAL 95 Ca -0.11 -0.44 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 1bex s VAL 95 Cb -0.08 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.05 1bex s VAL 95 CO -0.00 0.24 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.90 1bex s THR 96 N -0.16 1.71 0.04 5.04 2.01 -1.26 -0.25 115.64 122.77 1bex s THR 96 Ca 0.03 -0.91 -0.00 0.00 0.31 0.00 0.00 61.69 61.11 1bex s THR 96 Cb -0.05 -1.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1bex s THR 96 CO -0.00 0.48 -0.04 0.72 -0.69 0.00 0.00 174.62 175.09 1bex s PHE 97 N -0.39 0.48 0.08 4.92 -0.71 -0.03 -4.97 117.98 117.36 1bex s PHE 97 Ca 0.05 -0.84 -0.31 0.00 -1.04 0.00 0.00 56.93 54.80 1bex s PHE 97 Cb -0.09 -0.34 -0.06 0.00 -1.21 0.00 0.00 43.02 41.32 1bex s PHE 97 CO 0.00 -0.28 1.23 -0.51 -1.34 0.00 0.00 175.22 174.33 1bex s ASP 98 N -2.36 7.04 0.44 1.98 1.01 -1.26 -1.22 116.67 122.30 1bex s ASP 98 Ca -0.01 2.09 0.30 0.00 0.71 0.00 0.00 52.55 55.64 1bex s ASP 98 Cb 0.01 -2.58 1.56 0.00 1.01 0.00 0.00 42.92 42.91 1bex s ASP 98 CO -0.06 -0.49 1.93 0.58 0.21 0.00 0.00 175.17 177.34 1bex h VAL 99 N 4.39 0.00 0.00 -1.27 2.07 -1.63 -2.34 116.25 117.47 1bex h VAL 99 Ca -0.42 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.00 1bex h VAL 99 Cb 1.21 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 1bex h VAL 99 CO 0.81 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.86 1bex n SER 100 N -2.60 0.00 0.17 0.57 3.41 -1.26 -2.65 113.62 111.25 1bex n SER 100 Ca -0.01 -0.31 0.08 0.00 -0.26 0.00 0.00 58.87 58.37 1bex n SER 100 Cb 0.11 -0.16 0.09 0.00 -0.26 0.00 0.00 64.21 63.98 1bex n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1bex h LYS 101 N 0.00 0.00 -6.47 4.33 6.56 -1.82 -3.45 116.57 115.72 1bex h LYS 101 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 1bex h LYS 101 Cb 0.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 1bex h LYS 101 CO 0.00 0.17 -0.11 -0.51 -2.06 0.00 0.00 179.45 176.94 1bex s LEU 102 N -6.15 4.12 0.11 2.94 1.43 -1.08 -5.10 118.68 114.94 1bex s LEU 102 Ca 0.04 0.88 0.08 0.00 -1.03 0.00 0.00 54.13 54.10 1bex s LEU 102 Cb 0.07 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1bex s LEU 102 CO 0.72 -0.12 -0.20 -0.54 0.23 0.00 0.00 176.35 176.44 1bex s LYS 103 N -3.04 1.10 0.44 1.70 -0.14 -1.26 -5.07 119.74 113.46 1bex s LYS 103 Ca 0.47 -1.17 -0.24 0.00 -1.36 0.00 0.00 55.97 53.67 1bex s LYS 103 Cb -0.11 -1.30 -0.08 0.00 -1.68 0.00 0.00 37.83 34.66 1bex s LYS 103 CO 0.24 0.30 1.20 -1.21 -0.76 0.00 0.00 175.35 175.11 1bex s GLU 104 N -2.00 3.86 0.00 1.68 0.41 -1.26 -3.06 118.70 118.33 1bex s GLU 104 Ca 0.06 1.87 0.00 0.00 -0.41 0.00 0.00 54.97 56.50 1bex s GLU 104 Cb -0.09 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.71 1bex s GLU 104 CO 0.04 -0.49 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 1bex n GLY 105 N 0.56 2.15 3.74 -1.39 0.00 -1.26 -4.99 105.19 104.01 1bex n GLY 105 Ca 0.06 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1bex n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1bex s GLU 106 N 0.00 2.40 -0.29 1.61 2.56 -1.17 -5.01 118.70 118.80 1bex s GLU 106 Ca 0.00 1.60 -0.04 0.00 0.00 0.00 0.00 54.97 56.53 1bex s GLU 106 Cb 0.00 -1.88 0.03 0.00 2.00 0.00 0.00 34.13 34.28 1bex s GLU 106 CO 0.00 -1.60 0.02 -0.65 -0.56 0.00 0.00 175.26 172.47 1bex s GLN 107 N -3.99 2.75 0.27 4.30 -0.21 -1.26 -4.88 119.66 116.63 1bex s GLN 107 Ca 0.71 -1.06 0.06 0.00 0.02 0.00 0.00 55.36 55.09 1bex s GLN 107 Cb -0.25 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.51 1bex s GLN 107 CO 0.44 -0.52 0.33 0.71 -2.12 0.00 0.00 175.29 174.13 1bex s TYR 108 N 1.36 3.27 -0.02 0.91 2.02 -1.20 0.79 117.35 124.48 1bex s TYR 108 Ca -0.01 -0.10 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1bex s TYR 108 Cb -0.18 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 39.76 1bex s TYR 108 CO -0.01 0.36 0.06 -1.64 -1.57 0.00 0.00 175.55 172.76 1bex s MET 109 N -3.98 0.12 0.09 -0.62 -1.94 -0.32 -2.78 119.30 109.87 1bex s MET 109 Ca 0.36 -0.00 0.06 0.00 -1.71 0.00 0.00 55.69 54.40 1bex s MET 109 Cb -0.09 0.05 -0.04 0.00 2.01 0.00 0.00 34.83 36.77 1bex s MET 109 CO 0.28 -0.02 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.63 1bex s PHE 110 N -0.18 2.85 0.08 -0.03 -0.12 0.10 -1.97 117.98 118.72 1bex s PHE 110 Ca -0.02 -0.10 -0.27 0.00 -0.05 0.00 0.00 56.93 56.50 1bex s PHE 110 Cb -0.02 -1.49 0.08 0.00 -0.63 0.00 0.00 43.02 40.97 1bex s PHE 110 CO 0.00 0.45 0.94 -0.59 -0.05 0.00 0.00 175.22 175.97 1bex s PHE 111 N -1.24 -0.22 -0.13 3.49 -0.71 0.13 -1.60 117.98 117.69 1bex s PHE 111 Ca 0.23 -0.02 -0.07 0.00 -1.04 0.00 0.00 56.93 56.03 1bex s PHE 111 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 1bex s PHE 111 CO 0.15 -0.70 0.12 0.00 -1.34 0.00 0.00 175.22 173.46 1bex n THR 113 N 2.27 1.65 -2.12 0.00 -2.24 -1.26 -3.23 114.28 109.34 1bex n THR 113 Ca -0.19 -1.32 -0.41 0.00 -2.27 0.00 0.00 64.05 59.86 1bex n THR 113 Cb 0.54 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1bex n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1bex s PHE 114 N -1.80 3.16 -0.48 4.78 2.19 -1.26 -4.40 117.98 120.17 1bex s PHE 114 Ca 0.38 1.12 -0.46 0.00 0.33 0.00 0.00 56.93 58.30 1bex s PHE 114 Cb 0.26 -3.70 -0.19 0.00 -1.31 0.00 0.00 43.02 38.07 1bex s PHE 114 CO 0.17 -2.26 1.67 -2.30 1.83 0.00 0.00 175.22 174.34 1bex n PRO 115 N 2.60 0.11 -0.26 10.12 -0.02 -1.26 -1.26 135.00 145.03 1bex n PRO 115 Ca 0.07 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1bex n PRO 115 Cb 0.42 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 1bex n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bex n GLY 116 N 4.40 1.97 0.09 -1.23 0.00 -1.26 -4.91 105.19 104.25 1bex n GLY 116 Ca 0.33 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.24 1bex n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1bex h HIS 117 N 0.00 0.29 0.00 1.61 3.86 -1.46 -3.33 115.15 116.11 1bex h HIS 117 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 1bex h HIS 117 Cb 0.00 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1bex h HIS 117 CO 0.00 1.13 0.09 0.66 0.86 0.00 0.00 177.93 180.67 1bex h SER 118 N 0.06 0.00 0.18 2.45 4.64 -1.73 0.15 113.55 119.30 1bex h SER 118 Ca -0.07 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.15 1bex h SER 118 Cb 1.81 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.89 1bex h SER 118 CO 0.17 0.00 -0.34 0.00 -0.87 0.00 0.00 176.83 175.79 1bex h ALA 119 N 1.80 1.21 0.00 5.18 0.00 -1.91 -3.36 119.26 122.18 1bex h ALA 119 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1bex h ALA 119 Cb 0.19 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1bex h ALA 119 CO 0.00 0.53 -1.48 1.28 0.00 0.00 0.00 179.25 179.59 1bex n LEU 120 N -4.09 2.73 -4.45 0.00 4.77 -0.63 -4.86 117.00 110.48 1bex n LEU 120 Ca -0.01 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.50 1bex n LEU 120 Cb 0.43 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1bex n LEU 120 CO 0.41 0.59 1.25 -0.04 -1.33 0.00 0.00 177.39 178.27 1bex s MET 121 N -2.17 3.98 0.12 3.23 -1.94 0.44 -4.80 119.30 118.17 1bex s MET 121 Ca -0.11 -2.44 -0.21 0.00 -1.71 0.00 0.00 55.69 51.22 1bex s MET 121 Cb 0.03 -4.99 0.05 0.00 2.01 0.00 0.00 34.83 31.94 1bex s MET 121 CO 0.19 -1.73 0.52 -1.59 -0.01 0.00 0.00 175.02 172.40 1bex s LYS 122 N 1.62 1.16 0.02 2.03 -2.85 -1.26 -2.38 119.74 118.07 1bex s LYS 122 Ca 0.39 -0.49 -0.29 0.00 -1.00 0.00 0.00 55.97 54.59 1bex s LYS 122 Cb -0.04 0.52 0.10 0.00 -2.06 0.00 0.00 37.83 36.36 1bex s LYS 122 CO -0.03 -0.47 1.24 0.20 0.10 0.00 0.00 175.35 176.39 1bex s GLY 123 N -2.58 -0.26 0.12 0.59 0.00 -0.63 -4.74 107.32 99.81 1bex s GLY 123 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.04 1bex s GLY 123 CO -0.10 1.90 0.33 -0.51 0.00 0.00 0.00 173.10 174.72 1bex s THR 124 N -2.35 5.23 -0.11 0.90 -4.23 -0.93 0.02 115.64 114.17 1bex s THR 124 Ca 0.19 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 1bex s THR 124 Cb 0.02 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.25 1bex s THR 124 CO -0.02 0.06 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.81 1bex s LEU 125 N -2.64 1.35 -0.01 4.79 1.98 -1.12 -0.10 118.68 122.94 1bex s LEU 125 Ca 0.39 -0.33 0.04 0.00 -2.89 0.00 0.00 54.13 51.35 1bex s LEU 125 Cb -0.12 -0.88 -0.01 0.00 0.66 0.00 0.00 46.19 45.83 1bex s LEU 125 CO 0.26 -0.08 -0.13 0.42 -1.89 0.00 0.00 176.35 174.93 1bex s THR 126 N 1.45 1.01 -0.38 3.68 -4.23 -0.81 -3.23 115.64 113.14 1bex s THR 126 Ca 0.01 -0.58 -0.21 0.00 -1.18 0.00 0.00 61.69 59.73 1bex s THR 126 Cb -0.13 -0.85 0.01 0.00 1.34 0.00 0.00 72.50 72.87 1bex s THR 126 CO -0.06 0.26 0.68 -0.22 -0.54 0.00 0.00 174.62 174.75 1bex s LEU 127 N -0.36 4.27 0.00 4.79 2.96 -1.26 -0.47 118.68 128.61 1bex s LEU 127 Ca 0.05 0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.04 1bex s LEU 127 Cb -0.05 -2.84 0.00 0.00 0.50 0.00 0.00 46.19 43.80 1bex s LEU 127 CO -0.00 -0.68 0.06 0.29 -1.32 0.00 0.00 176.35 174.70