#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 0.74 -0.78 0.00 1.02 -1.26 -4.83 120.64 115.53 1bex n GLU 2 Ca 0.00 0.27 -0.15 0.00 -0.02 0.00 0.00 57.16 57.26 1bex n GLU 2 Cb 0.00 -1.66 0.08 0.00 -0.02 0.00 0.00 31.44 29.84 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 -0.20 -0.43 0.00 0.00 1.04 -1.26 -2.04 113.70 110.81 1bex s SER 4 Ca 0.33 0.27 -0.00 0.00 0.48 0.00 0.00 55.95 57.03 1bex s SER 4 Cb 0.27 0.40 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 1bex s SER 4 CO 0.03 -0.55 -0.00 0.54 0.98 0.00 0.00 173.24 174.25 1bex s VAL 5 N -2.12 0.02 -0.27 5.02 0.11 -0.47 -4.95 120.40 117.73 1bex s VAL 5 Ca -0.01 -0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 58.82 1bex s VAL 5 Cb -0.01 -0.05 -0.03 0.00 -1.53 0.00 0.00 36.38 34.76 1bex s VAL 5 CO -0.02 -0.08 0.12 -1.81 -3.33 0.00 0.00 175.10 169.99 1bex s ASP 6 N -0.22 5.48 0.00 3.54 1.01 -1.26 -1.01 116.67 124.22 1bex s ASP 6 Ca -0.02 -0.22 0.05 0.00 0.71 0.00 0.00 52.55 53.07 1bex s ASP 6 Cb -0.02 -2.00 -0.03 0.00 1.01 0.00 0.00 42.92 41.89 1bex s ASP 6 CO -0.00 -0.08 -0.16 -0.63 0.21 0.00 0.00 175.17 174.52 1bex s ILE 7 N 1.66 2.97 -0.06 0.77 -1.09 0.91 -4.94 121.20 121.42 1bex s ILE 7 Ca 0.06 -0.97 0.05 0.00 -2.23 0.00 0.00 60.65 57.57 1bex s ILE 7 Cb -0.16 -2.22 -0.02 0.00 -1.58 0.00 0.00 42.46 38.49 1bex s ILE 7 CO 0.06 0.44 -0.21 -1.10 -1.23 0.00 0.00 174.94 172.91 1bex s GLN 8 N -1.15 2.56 -0.22 2.79 -0.21 -1.26 -0.66 119.66 121.50 1bex s GLN 8 Ca 0.14 -0.83 0.02 0.00 0.02 0.00 0.00 55.36 54.70 1bex s GLN 8 Cb -0.11 -2.25 0.04 0.00 1.00 0.00 0.00 33.01 31.70 1bex s GLN 8 CO 0.04 0.45 -0.15 0.20 -2.12 0.00 0.00 175.29 173.71 1bex s GLY 9 N -0.32 1.53 0.57 3.09 0.00 0.80 -1.52 107.32 111.46 1bex s GLY 9 Ca 0.02 -1.49 0.09 0.00 0.00 0.00 0.00 44.72 43.34 1bex s GLY 9 CO 0.02 0.45 0.73 0.54 0.00 0.00 0.00 173.10 174.84 1bex s ASN 10 N 1.20 5.04 0.00 1.64 6.03 -0.86 -3.67 114.94 124.33 1bex s ASN 10 Ca -0.02 -0.90 0.12 0.00 -1.03 0.00 0.00 52.86 51.03 1bex s ASN 10 Cb -0.16 0.29 0.59 0.00 -3.03 0.00 0.00 41.25 38.94 1bex s ASN 10 CO -0.09 -1.29 1.26 0.47 -2.03 0.00 0.00 177.10 175.42 1bex n ASP 11 N -2.16 0.00 -1.40 3.54 8.00 -1.24 -2.28 116.55 121.02 1bex n ASP 11 Ca 0.13 0.07 0.09 0.00 0.71 0.00 0.00 54.79 55.79 1bex n ASP 11 Cb 0.62 -0.26 0.32 0.00 -0.02 0.00 0.00 41.12 41.78 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 -1.26 3.64 -3.12 -1.24 3.00 -1.26 -4.95 117.38 112.19 1bex n GLN 12 Ca 0.06 -2.82 -0.14 0.00 -0.01 0.00 0.00 57.00 54.09 1bex n GLN 12 Cb 0.09 -1.85 0.07 0.00 0.00 0.00 0.00 30.24 28.54 1bex n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1bex n MET 13 N 0.73 -4.69 -4.02 -1.09 2.81 -0.96 -5.04 117.12 104.86 1bex n MET 13 Ca 0.24 0.70 -0.12 0.00 -1.81 0.00 0.00 57.70 56.71 1bex n MET 13 Cb 0.87 -5.22 -0.12 0.00 -0.71 0.00 0.00 33.22 28.04 1bex n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1bex s GLN 14 N -4.91 0.35 0.06 0.03 -0.21 -1.26 -4.36 119.66 109.37 1bex s GLN 14 Ca 0.08 -0.50 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1bex s GLN 14 Cb -0.01 -0.12 -0.04 0.00 1.00 0.00 0.00 33.01 33.84 1bex s GLN 14 CO 0.60 0.02 0.21 -0.06 -2.12 0.00 0.00 175.29 173.94 1bex s PHE 15 N -0.99 3.52 -1.06 0.91 0.08 -1.26 -2.02 117.98 117.16 1bex s PHE 15 Ca -0.09 0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.21 1bex s PHE 15 Cb -0.07 -1.76 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 1bex s PHE 15 CO -0.00 0.59 0.54 0.27 -0.10 0.00 0.00 175.22 176.52 1bex n ASN 16 N 0.28 0.98 -3.60 1.36 0.23 -0.58 -4.78 115.26 109.15 1bex n ASN 16 Ca -0.05 -2.01 -0.09 0.00 -0.53 0.00 0.00 54.58 51.90 1bex n ASN 16 Cb 0.51 -0.47 -0.06 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 -1.08 0.00 -0.08 5.53 -1.32 -1.26 -4.97 115.64 112.46 1bex s THR 17 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.60 1bex s THR 17 Cb 0.00 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.16 1bex s THR 17 CO 0.00 0.00 1.07 -0.46 -2.21 0.00 0.00 174.62 173.02 1bex n ASN 18 N 1.19 1.94 -3.66 8.08 0.23 -1.26 -4.84 115.26 116.93 1bex n ASN 18 Ca -0.10 -2.59 -0.06 0.00 -0.53 0.00 0.00 54.58 51.30 1bex n ASN 18 Cb 0.57 -0.27 -0.07 0.00 -2.08 0.00 0.00 39.78 37.93 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 -1.96 -1.58 0.02 -2.53 0.00 -1.26 -2.18 121.76 112.27 1bex s ALA 19 Ca 0.19 1.95 0.08 0.00 0.00 0.00 0.00 51.96 54.18 1bex s ALA 19 Cb 0.16 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1bex s ALA 19 CO 0.02 -0.72 -0.25 0.42 0.00 0.00 0.00 175.76 175.23 1bex s ILE 20 N 2.45 2.01 -0.06 0.00 1.01 0.84 -4.97 121.20 122.48 1bex s ILE 20 Ca -0.05 -1.24 0.04 0.00 0.00 0.00 0.00 60.65 59.39 1bex s ILE 20 Cb -0.11 -1.70 0.00 0.00 0.01 0.00 0.00 42.46 40.67 1bex s ILE 20 CO -0.16 0.41 -0.16 0.42 0.00 0.00 0.00 174.94 175.45 1bex s THR 21 N -0.72 1.39 -0.25 2.92 -4.23 -1.26 -1.95 115.64 111.53 1bex s THR 21 Ca 0.10 -0.67 -0.09 0.00 -1.18 0.00 0.00 61.69 59.86 1bex s THR 21 Cb -0.10 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1bex s THR 21 CO 0.01 0.41 0.11 -0.69 -0.54 0.00 0.00 174.62 173.92 1bex s VAL 22 N 0.29 4.74 -0.32 2.29 1.01 0.78 -4.94 120.40 124.24 1bex s VAL 22 Ca -0.09 -0.03 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 1bex s VAL 22 Cb -0.14 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 1bex s VAL 22 CO 0.04 0.32 2.01 -0.62 0.00 0.00 0.00 175.10 176.85 1bex s ASP 23 N 1.53 5.55 0.47 3.32 -1.08 -1.26 -0.91 116.67 124.30 1bex s ASP 23 Ca 0.06 1.43 0.34 0.00 -0.52 0.00 0.00 52.55 53.87 1bex s ASP 23 Cb -0.15 -2.52 1.48 0.00 -1.46 0.00 0.00 42.92 40.27 1bex s ASP 23 CO 0.06 -1.96 1.65 0.50 0.52 0.00 0.00 175.17 175.95 1bex h LYS 24 N 14.45 0.08 0.00 4.34 3.64 -1.92 0.07 116.57 137.24 1bex h LYS 24 Ca -0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1bex h LYS 24 Cb 1.20 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1bex h LYS 24 CO 1.03 0.06 -0.06 0.43 -2.27 0.00 0.00 179.45 178.64 1bex n SER 25 N -4.45 0.70 -4.76 4.20 7.64 -1.26 -4.84 113.62 110.86 1bex n SER 25 Ca 0.36 0.52 -0.41 0.00 1.01 0.00 0.00 58.87 60.35 1bex n SER 25 Cb 1.47 -0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 1bex n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bex h LYS 27 N 4.28 0.14 -4.69 0.00 1.57 -1.88 -3.41 116.57 112.58 1bex h LYS 27 Ca -0.47 -0.14 -0.27 0.00 -1.87 0.00 0.00 60.65 57.90 1bex h LYS 27 Cb 1.22 0.04 -0.15 0.00 0.08 0.00 0.00 32.23 33.42 1bex h LYS 27 CO 0.72 0.86 -0.63 -0.65 -0.57 0.00 0.00 179.45 179.17 1bex s GLN 28 N -3.33 1.19 -0.01 3.15 -0.21 -1.26 -1.72 119.66 117.47 1bex s GLN 28 Ca -0.02 -1.61 -0.00 0.00 0.02 0.00 0.00 55.36 53.74 1bex s GLN 28 Cb 0.11 -0.01 0.01 0.00 1.00 0.00 0.00 33.01 34.12 1bex s GLN 28 CO 0.81 -0.28 0.02 0.12 -2.12 0.00 0.00 175.29 173.84 1bex s PHE 29 N -3.91 -0.01 -0.05 0.91 5.36 -0.36 -4.77 117.98 115.15 1bex s PHE 29 Ca 0.33 0.06 0.04 0.00 -0.96 0.00 0.00 56.93 56.40 1bex s PHE 29 Cb 0.07 -0.04 -0.00 0.00 -0.34 0.00 0.00 43.02 42.71 1bex s PHE 29 CO 0.09 -0.02 -0.18 0.99 -1.46 0.00 0.00 175.22 174.64 1bex s THR 30 N 0.22 1.48 -0.15 0.12 2.01 -0.86 -1.07 115.64 117.39 1bex s THR 30 Ca -0.02 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1bex s THR 30 Cb -0.03 -1.28 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 1bex s THR 30 CO -0.01 0.43 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.60 1bex s VAL 31 N 0.08 3.69 -0.36 3.82 1.01 0.51 -1.36 120.40 127.79 1bex s VAL 31 Ca -0.05 -0.43 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 1bex s VAL 31 Cb -0.12 -2.60 0.08 0.00 0.00 0.00 0.00 36.38 33.74 1bex s VAL 31 CO 0.03 0.50 0.11 0.20 0.00 0.00 0.00 175.10 175.94 1bex s ASN 32 N 0.32 5.11 -0.02 3.32 0.02 -0.18 -1.35 114.94 122.17 1bex s ASN 32 Ca -0.05 -1.67 -0.16 0.00 -1.02 0.00 0.00 52.86 49.96 1bex s ASN 32 Cb -0.14 -1.78 -0.05 0.00 0.02 0.00 0.00 41.25 39.29 1bex s ASN 32 CO 0.04 -0.41 0.44 -0.22 0.02 0.00 0.00 177.10 176.96 1bex s LEU 33 N 1.20 4.44 0.10 0.60 2.96 0.58 -0.06 118.68 128.50 1bex s LEU 33 Ca 0.02 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.89 1bex s LEU 33 Cb -0.21 -2.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 1bex s LEU 33 CO -0.02 0.25 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.31 1bex s SER 34 N -0.71 0.70 -0.56 3.68 1.04 0.17 -2.16 113.70 115.86 1bex s SER 34 Ca 0.24 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.63 1bex s SER 34 Cb -0.17 0.19 0.17 0.00 0.10 0.00 0.00 66.02 66.31 1bex s SER 34 CO 0.13 -0.60 0.40 -2.28 0.98 0.00 0.00 173.24 171.87 1bex s HIS 35 N -3.85 2.41 0.85 5.02 2.46 -1.14 -0.14 115.29 120.90 1bex s HIS 35 Ca 0.15 -2.84 -0.11 0.00 0.47 0.00 0.00 55.06 52.74 1bex s HIS 35 Cb 0.07 -1.91 0.11 0.00 -0.13 0.00 0.00 32.58 30.72 1bex s HIS 35 CO -0.04 -0.69 1.14 -1.25 -2.47 0.00 0.00 174.74 171.44 1bex s PRO 36 N -0.64 1.50 0.00 2.88 0.04 -1.24 -0.13 135.00 137.41 1bex s PRO 36 Ca 0.27 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1bex s PRO 36 Cb -0.04 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.72 1bex s PRO 36 CO -0.16 -2.26 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1bex n GLY 37 N -0.13 -0.50 0.00 0.56 0.00 -1.26 -3.61 105.19 100.25 1bex n GLY 37 Ca 0.11 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.94 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 0.05 -4.71 1.61 4.13 -1.26 -4.39 115.26 110.69 1bex n ASN 38 Ca 0.00 -0.33 -0.42 0.00 1.68 0.00 0.00 54.58 55.51 1bex n ASN 38 Cb 0.00 0.46 -0.03 0.00 -1.54 0.00 0.00 39.78 38.67 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 -0.91 4.36 0.95 3.41 1.43 -1.26 -4.83 118.68 121.83 1bex s LEU 39 Ca 0.00 1.88 -0.12 0.00 -1.03 0.00 0.00 54.13 54.87 1bex s LEU 39 Cb 0.00 -3.57 0.16 0.00 0.03 0.00 0.00 46.19 42.81 1bex s LEU 39 CO 0.00 -0.43 1.09 -2.16 0.23 0.00 0.00 176.35 175.08 1bex s PRO 40 N 1.21 0.80 0.37 1.29 0.04 -1.26 -1.79 135.00 135.66 1bex s PRO 40 Ca 0.56 0.83 0.12 0.00 0.04 0.00 0.00 61.00 62.56 1bex s PRO 40 Cb -0.26 -1.75 0.73 0.00 0.04 0.00 0.00 34.50 33.26 1bex s PRO 40 CO 0.28 -2.56 1.84 1.57 0.04 0.00 0.00 177.00 178.16 1bex h LYS 41 N -1.78 0.03 0.00 4.56 2.10 -1.84 0.28 116.57 119.92 1bex h LYS 41 Ca -0.51 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1bex h LYS 41 Cb 1.30 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1bex h LYS 41 CO 0.53 0.37 0.00 -2.95 -2.00 0.00 0.00 179.45 175.40 1bex h ASN 42 N 0.03 0.00 0.00 7.07 -1.07 -1.94 0.12 115.58 119.79 1bex h ASN 42 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 1bex h ASN 42 Cb 0.62 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.84 1bex h ASN 42 CO 0.05 0.00 -1.53 0.52 0.07 0.00 0.00 177.43 176.54 1bex n VAL 43 N -2.44 0.53 -2.74 6.14 0.31 -0.81 -4.84 118.33 114.47 1bex n VAL 43 Ca 0.01 -0.32 -0.03 0.00 -0.01 0.00 0.00 64.34 63.99 1bex n VAL 43 Cb 0.18 -0.80 0.08 0.00 -0.91 0.00 0.00 33.84 32.39 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 -2.32 1.46 -2.24 5.55 2.81 0.92 -4.99 117.12 118.32 1bex n MET 44 Ca -0.13 -2.51 -0.41 0.00 -1.81 0.00 0.00 57.70 52.84 1bex n MET 44 Cb 0.74 -0.70 -0.03 0.00 -0.71 0.00 0.00 33.22 32.53 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 -2.52 2.86 -0.02 3.03 0.00 0.41 -4.69 107.32 106.39 1bex s GLY 45 Ca 0.20 1.12 0.05 0.00 0.00 0.00 0.00 44.72 46.10 1bex s GLY 45 CO -0.06 1.85 -0.18 0.30 0.00 0.00 0.00 173.10 175.00 1bex s HIS 46 N -0.76 1.65 0.27 1.90 3.76 0.17 -4.64 115.29 117.63 1bex s HIS 46 Ca 0.50 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 55.11 1bex s HIS 46 Cb -0.37 -1.07 -0.06 0.00 1.11 0.00 0.00 32.58 32.20 1bex s HIS 46 CO 0.45 -0.05 0.04 0.54 -0.85 0.00 0.00 174.74 174.88 1bex s ASN 47 N -0.37 1.83 -0.19 1.40 4.22 -1.26 0.24 114.94 120.81 1bex s ASN 47 Ca 0.06 -1.31 0.01 0.00 -2.14 0.00 0.00 52.86 49.48 1bex s ASN 47 Cb -0.08 0.02 0.03 0.00 1.28 0.00 0.00 41.25 42.51 1bex s ASN 47 CO -0.00 -0.60 -0.15 0.86 -2.04 0.00 0.00 177.10 175.16 1bex s TRP 48 N -3.47 2.68 -0.01 1.54 -0.00 -1.26 -4.00 118.94 114.42 1bex s TRP 48 Ca 0.33 -1.67 0.06 0.00 -0.00 0.00 0.00 56.10 54.82 1bex s TRP 48 Cb 0.07 -1.80 -0.01 0.00 -0.00 0.00 0.00 33.47 31.72 1bex s TRP 48 CO 0.12 -0.78 -0.18 0.08 -0.00 0.00 0.00 176.95 176.19 1bex s VAL 49 N 1.32 1.45 -0.07 5.86 1.01 -0.35 -0.98 120.40 128.62 1bex s VAL 49 Ca 0.01 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1bex s VAL 49 Cb -0.15 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1bex s VAL 49 CO -0.10 0.40 -0.18 -0.22 0.00 0.00 0.00 175.10 175.00 1bex s LEU 50 N -0.45 1.86 0.30 3.92 2.96 0.16 -0.10 118.68 127.32 1bex s LEU 50 Ca 0.07 -0.41 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 1bex s LEU 50 Cb -0.07 -1.08 -0.00 0.00 0.50 0.00 0.00 46.19 45.53 1bex s LEU 50 CO -0.01 0.10 0.45 -0.94 -1.32 0.00 0.00 176.35 174.64 1bex s SER 51 N 0.43 0.52 1.07 3.68 1.04 -0.84 -0.39 113.70 119.21 1bex s SER 51 Ca -0.14 -1.31 -0.13 0.00 0.48 0.00 0.00 55.95 54.85 1bex s SER 51 Cb -0.16 0.62 0.22 0.00 0.10 0.00 0.00 66.02 66.80 1bex s SER 51 CO 0.06 -1.22 1.08 0.42 0.98 0.00 0.00 173.24 174.56 1bex s THR 52 N -3.42 1.95 0.22 2.02 -4.23 -1.26 -1.08 115.64 109.84 1bex s THR 52 Ca 0.29 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.78 1bex s THR 52 Cb 0.00 -2.41 -0.01 0.00 1.34 0.00 0.00 72.50 71.43 1bex s THR 52 CO 0.16 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.83 1bex h ALA 53 N -2.15 0.85 0.00 3.99 0.00 0.08 -3.11 119.26 118.92 1bex h ALA 53 Ca -0.55 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 53.85 1bex h ALA 53 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1bex h ALA 53 CO 0.54 0.65 -0.31 0.00 0.00 0.00 0.00 179.25 180.13 1bex h ALA 54 N 1.10 1.44 0.00 0.00 0.00 -1.91 -3.05 119.26 116.84 1bex h ALA 54 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1bex h ALA 54 Cb 0.92 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bex h ALA 54 CO 0.08 0.39 -0.58 -0.25 0.00 0.00 0.00 179.25 178.89 1bex n ASP 55 N -4.10 0.56 -0.15 0.00 8.00 -1.18 -4.48 116.55 115.20 1bex n ASP 55 Ca -0.02 -0.15 -0.05 0.00 0.71 0.00 0.00 54.79 55.28 1bex n ASP 55 Cb 0.36 0.28 0.02 0.00 -0.02 0.00 0.00 41.12 41.76 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 -0.12 -0.59 -1.24 1.85 -1.47 -2.22 114.93 111.14 1bex h MET 56 Ca 0.00 0.01 0.02 0.00 -0.61 0.00 0.00 59.70 59.12 1bex h MET 56 Cb 0.58 0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.60 1bex h MET 56 CO 0.00 -0.08 0.36 1.96 -0.40 0.00 0.00 176.91 178.75 1bex h GLN 57 N -0.12 0.70 -0.28 0.39 1.08 -1.81 -1.15 115.11 113.92 1bex h GLN 57 Ca 0.22 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.28 1bex h GLN 57 Cb 0.47 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1bex h GLN 57 CO -0.55 0.46 -0.26 0.78 -0.95 0.00 0.00 178.83 178.31 1bex h GLY 58 N 0.72 0.60 1.50 3.46 0.00 -1.80 -0.63 103.07 106.93 1bex h GLY 58 Ca 0.23 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 1bex h GLY 58 CO -0.09 0.46 -0.38 -2.08 0.00 0.00 0.00 176.54 174.45 1bex h VAL 59 N 0.48 1.29 -0.04 4.60 2.07 -0.98 -1.27 116.25 122.41 1bex h VAL 59 Ca 0.07 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 1bex h VAL 59 Cb 0.70 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1bex h VAL 59 CO 0.05 0.48 -0.03 0.58 0.02 0.00 0.00 177.57 178.67 1bex h VAL 60 N 0.46 1.36 -0.26 2.57 2.07 -0.91 -1.11 116.25 120.44 1bex h VAL 60 Ca 0.04 -1.13 -0.19 0.00 0.82 0.00 0.00 66.70 66.25 1bex h VAL 60 Cb 0.86 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1bex h VAL 60 CO 0.07 0.30 -0.57 0.71 0.02 0.00 0.00 177.57 178.10 1bex h THR 61 N -0.36 1.28 0.00 2.57 1.35 -1.12 -0.83 112.91 115.80 1bex h THR 61 Ca 0.01 -1.77 -0.10 0.00 -0.55 0.00 0.00 66.41 64.00 1bex h THR 61 Cb 0.51 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.60 1bex h THR 61 CO 0.01 0.57 -0.46 0.44 -0.25 0.00 0.00 175.52 175.83 1bex h ASP 62 N 0.62 0.00 -0.25 5.36 3.32 -1.32 -3.01 116.42 121.14 1bex h ASP 62 Ca 0.01 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1bex h ASP 62 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1bex h ASP 62 CO 0.12 0.46 -0.09 1.23 -1.72 0.00 0.00 179.24 179.24 1bex h GLY 63 N 1.58 0.55 0.41 2.75 0.00 -0.98 -2.81 103.07 104.57 1bex h GLY 63 Ca -0.00 -0.48 0.07 0.00 0.00 0.00 0.00 47.33 46.92 1bex h GLY 63 CO 0.06 0.44 0.03 1.98 0.00 0.00 0.00 176.54 179.04 1bex h MET 64 N 0.24 0.14 0.00 4.80 1.85 -1.07 -1.94 114.93 118.95 1bex h MET 64 Ca 0.06 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 1bex h MET 64 Cb 0.58 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.58 1bex h MET 64 CO 0.03 0.09 0.00 0.00 -0.40 0.00 0.00 176.91 176.63 1bex h ALA 65 N 1.33 1.00 0.00 0.39 0.00 -1.47 -3.08 119.26 117.43 1bex h ALA 65 Ca 0.19 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 1bex h ALA 65 Cb 0.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bex h ALA 65 CO -0.30 0.00 -0.39 0.77 0.00 0.00 0.00 179.25 179.33 1bex h SER 66 N 0.00 0.00 -5.00 0.00 0.02 -1.08 -3.50 113.55 103.99 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 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 1bex h SER 66 CO 0.00 0.39 0.00 0.61 -1.14 0.00 0.00 176.83 176.69 1bex n GLY 67 N 0.97 1.35 0.22 -3.77 0.00 -1.17 -4.40 105.19 98.39 1bex n GLY 67 Ca 0.02 -2.00 -0.18 0.00 0.00 0.00 0.00 46.02 43.86 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 0.94 -1.20 0.99 5.85 -1.93 0.22 115.31 120.19 1bex h LEU 68 Ca 0.00 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1bex h LEU 68 Cb 0.00 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.75 1bex h LEU 68 CO 0.00 1.43 0.07 0.47 -0.34 0.00 0.00 178.44 180.07 1bex n ASP 69 N -3.94 0.47 -0.38 1.25 8.00 -1.26 -0.91 116.55 119.78 1bex n ASP 69 Ca -0.08 0.69 0.04 0.00 0.71 0.00 0.00 54.79 56.15 1bex n ASP 69 Cb 0.76 -0.73 0.07 0.00 -0.02 0.00 0.00 41.12 41.20 1bex n ASP 69 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1bex n LYS 70 N -2.15 1.70 -2.31 -1.24 5.02 -1.14 -4.96 118.16 113.08 1bex n LYS 70 Ca -0.01 -1.48 -0.10 0.00 -2.02 0.00 0.00 58.31 54.70 1bex n LYS 70 Cb 0.10 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 0.29 -3.39 -4.14 4.39 9.92 -0.09 -3.11 116.55 120.41 1bex n ASP 71 Ca 0.06 -0.05 -0.31 0.00 -0.53 0.00 0.00 54.79 53.97 1bex n ASP 71 Cb 0.29 -2.55 -0.04 0.00 -0.64 0.00 0.00 41.12 38.18 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 -3.95 -1.56 -3.77 1.24 4.01 0.77 -4.80 117.16 109.11 1bex n TYR 72 Ca -0.10 0.73 -0.15 0.00 -0.16 0.00 0.00 57.90 58.22 1bex n TYR 72 Cb 0.58 -3.22 -0.16 0.00 -0.31 0.00 0.00 39.34 36.23 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 -7.16 1.02 -0.05 7.72 2.96 -1.18 -4.11 118.68 117.88 1bex s LEU 73 Ca 0.25 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 1bex s LEU 73 Cb -0.14 -0.08 -0.06 0.00 0.50 0.00 0.00 46.19 46.42 1bex s LEU 73 CO 0.93 -0.14 1.71 -0.75 -1.32 0.00 0.00 176.35 176.78 1bex s LYS 74 N 1.14 4.15 0.16 1.98 2.20 -1.26 -4.88 119.74 123.24 1bex s LYS 74 Ca -0.08 2.24 -0.34 0.00 -0.36 0.00 0.00 55.97 57.43 1bex s LYS 74 Cb -0.13 -4.02 -0.15 0.00 -1.51 0.00 0.00 37.83 32.02 1bex s LYS 74 CO -0.03 -0.89 1.36 -2.30 -0.36 0.00 0.00 175.35 173.13 1bex n PRO 75 N 7.23 1.56 -2.76 4.03 -0.02 -1.26 -1.37 135.00 142.41 1bex n PRO 75 Ca 0.18 0.56 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1bex n PRO 75 Cb 0.43 -2.19 0.02 0.00 -0.02 0.00 0.00 33.50 31.73 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 2.50 -5.98 -4.62 2.55 8.00 -1.26 -4.91 116.55 112.83 1bex n ASP 76 Ca 0.16 -0.18 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1bex n ASP 76 Cb 0.25 -4.88 -0.02 0.00 -0.02 0.00 0.00 41.12 36.45 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 -2.46 6.34 0.38 -2.24 -1.08 -0.47 -4.84 116.67 112.30 1bex s ASP 77 Ca 0.18 1.48 0.27 0.00 -0.52 0.00 0.00 52.55 53.96 1bex s ASP 77 Cb -0.08 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.12 1bex s ASP 77 CO 0.22 -1.31 1.82 0.77 0.52 0.00 0.00 175.17 177.19 1bex h SER 78 N 10.85 0.00 1.20 -0.34 4.64 -1.90 -2.86 113.55 125.12 1bex h SER 78 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1bex h SER 78 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 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 -2.49 0.12 -2.84 4.77 1.74 -1.26 -4.78 116.66 111.92 1bex n ARG 79 Ca 0.00 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.77 1bex n ARG 79 Cb 0.17 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 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 -3.05 4.71 0.00 1.55 1.01 -1.08 -4.51 120.40 119.03 1bex s VAL 80 Ca 0.12 1.42 -0.14 0.00 0.00 0.00 0.00 61.98 63.37 1bex s VAL 80 Cb 0.15 -4.23 -0.34 0.00 0.00 0.00 0.00 36.38 31.96 1bex s VAL 80 CO 0.55 -0.30 0.89 0.40 0.00 0.00 0.00 175.10 176.64 1bex h ILE 81 N 5.61 1.17 -2.13 2.22 2.04 -1.02 -3.48 117.51 121.92 1bex h ILE 81 Ca -0.23 -2.64 -0.03 0.00 1.00 0.00 0.00 64.86 62.96 1bex h ILE 81 Cb 1.08 2.96 -0.18 0.00 -0.74 0.00 0.00 36.82 39.94 1bex h ILE 81 CO 0.93 0.83 0.25 0.00 0.00 0.00 0.00 178.15 180.15 1bex s ALA 82 N -2.59 -1.76 -0.02 1.87 0.00 -1.22 -5.02 121.76 113.02 1bex s ALA 82 Ca -0.11 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 52.75 1bex s ALA 82 Cb 0.04 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.32 1bex s ALA 82 CO 0.92 -0.44 0.71 -3.38 0.00 0.00 0.00 175.76 173.56 1bex s HIS 83 N -1.69 -0.59 0.45 0.00 -3.43 -1.26 -0.67 115.29 108.10 1bex s HIS 83 Ca -0.07 0.89 0.07 0.00 -0.80 0.00 0.00 55.06 55.15 1bex s HIS 83 Cb -0.00 0.45 0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1bex s HIS 83 CO 0.04 -0.63 0.58 0.25 -2.00 0.00 0.00 174.74 172.99 1bex n THR 84 N 0.60 0.00 -2.82 -5.38 -2.24 -0.15 -4.79 114.28 99.49 1bex n THR 84 Ca -0.17 -1.55 -0.22 0.00 -2.27 0.00 0.00 64.05 59.84 1bex n THR 84 Cb 0.59 -0.55 0.09 0.00 -2.10 0.00 0.00 70.33 68.36 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 -4.02 1.98 -0.13 -0.78 -2.85 -1.26 -4.54 119.74 108.13 1bex s LYS 85 Ca 0.44 -1.41 -0.29 0.00 -1.00 0.00 0.00 55.97 53.71 1bex s LYS 85 Cb -0.04 -2.49 -0.01 0.00 -2.06 0.00 0.00 37.83 33.23 1bex s LYS 85 CO 0.28 -1.16 1.05 -1.17 0.10 0.00 0.00 175.35 174.45 1bex s LEU 86 N -4.90 4.21 0.10 2.77 2.96 -1.26 -4.27 118.68 118.29 1bex s LEU 86 Ca 0.64 1.54 0.07 0.00 -0.22 0.00 0.00 54.13 56.17 1bex s LEU 86 Cb -0.05 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.05 1bex s LEU 86 CO 0.42 -0.53 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.16 1bex s ILE 87 N 2.39 3.20 0.35 6.68 1.09 0.14 -4.83 121.20 130.22 1bex s ILE 87 Ca 0.49 -1.30 0.08 0.00 -1.10 0.00 0.00 60.65 58.81 1bex s ILE 87 Cb -0.18 -2.48 -0.04 0.00 -1.06 0.00 0.00 42.46 38.70 1bex s ILE 87 CO 0.15 0.14 0.17 -0.83 -0.10 0.00 0.00 174.94 174.47 1bex s GLY 88 N -2.11 1.97 0.36 6.18 0.00 -1.26 -0.66 107.32 111.80 1bex s GLY 88 Ca 0.20 -1.84 -0.26 0.00 0.00 0.00 0.00 44.72 42.82 1bex s GLY 88 CO 0.12 -1.75 1.00 -1.14 0.00 0.00 0.00 173.10 171.33 1bex n SER 89 N -1.20 1.27 0.00 1.64 3.41 -0.74 -1.10 113.62 116.90 1bex n SER 89 Ca -0.02 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.69 1bex n SER 89 Cb 0.61 -1.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 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 1.20 0.79 3.92 5.00 0.00 0.82 -4.93 105.19 111.99 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 -0.18 2.69 0.03 1.61 2.02 -0.26 -4.95 118.70 119.66 1bex s GLU 91 Ca 0.00 -1.37 -0.07 0.00 0.02 0.00 0.00 54.97 53.54 1bex s GLU 91 Cb 0.00 -2.54 -0.00 0.00 0.10 0.00 0.00 34.13 31.68 1bex s GLU 91 CO 0.00 -0.16 0.14 0.15 0.02 0.00 0.00 175.26 175.40 1bex s LYS 92 N -4.19 0.60 0.00 1.61 1.02 -1.26 -2.89 119.74 114.63 1bex s LYS 92 Ca 0.49 -0.63 -0.26 0.00 0.02 0.00 0.00 55.97 55.59 1bex s LYS 92 Cb -0.06 0.24 0.06 0.00 -0.52 0.00 0.00 37.83 37.55 1bex s LYS 92 CO 0.30 -0.16 0.59 0.34 -0.92 0.00 0.00 175.35 175.50 1bex s ASP 93 N -1.93 -0.54 0.03 2.83 2.15 -0.92 -5.03 116.67 113.27 1bex s ASP 93 Ca -0.07 0.42 0.03 0.00 0.43 0.00 0.00 52.55 53.35 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 -0.03 -0.66 -0.09 -0.44 -0.17 0.00 0.00 175.17 173.78 1bex s SER 94 N -1.59 1.00 -0.03 -0.34 0.01 -1.26 -0.30 113.70 111.18 1bex s SER 94 Ca -0.08 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1bex s SER 94 Cb -0.01 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1bex s SER 94 CO 0.04 -0.08 -0.09 0.54 0.41 0.00 0.00 173.24 174.06 1bex s VAL 95 N -0.92 0.77 -0.03 3.43 0.11 -0.46 -4.94 120.40 118.38 1bex s VAL 95 Ca -0.04 -0.35 0.07 0.00 -2.93 0.00 0.00 61.98 58.73 1bex s VAL 95 Cb -0.07 -0.69 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1bex s VAL 95 CO 0.00 0.24 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.89 1bex s THR 96 N 0.23 1.91 0.04 5.04 2.01 -1.26 -0.36 115.64 123.24 1bex s THR 96 Ca -0.04 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 60.93 1bex s THR 96 Cb -0.09 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1bex s THR 96 CO 0.01 0.54 -0.03 0.72 -0.69 0.00 0.00 174.62 175.16 1bex s PHE 97 N -0.49 0.41 0.07 4.92 -0.71 -0.23 -4.97 117.98 116.97 1bex s PHE 97 Ca 0.07 -0.81 -0.31 0.00 -1.04 0.00 0.00 56.93 54.84 1bex s PHE 97 Cb -0.10 -0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 41.35 1bex s PHE 97 CO -0.00 -0.28 1.28 -0.51 -1.34 0.00 0.00 175.22 174.36 1bex s ASP 98 N -2.22 6.98 0.35 1.98 1.01 -1.26 -1.22 116.67 122.28 1bex s ASP 98 Ca -0.04 2.12 0.24 0.00 0.71 0.00 0.00 52.55 55.58 1bex s ASP 98 Cb -0.01 -2.58 1.27 0.00 1.01 0.00 0.00 42.92 42.61 1bex s ASP 98 CO -0.06 -0.56 1.75 0.58 0.21 0.00 0.00 175.17 177.10 1bex h VAL 99 N 4.48 0.00 0.00 -1.27 2.07 -1.57 -1.91 116.25 118.05 1bex h VAL 99 Ca -0.41 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1bex h VAL 99 Cb 1.21 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1bex h VAL 99 CO 0.84 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.89 1bex n SER 100 N -2.36 0.00 0.19 0.57 3.41 -1.26 -2.87 113.62 111.30 1bex n SER 100 Ca -0.01 -0.48 0.11 0.00 -0.26 0.00 0.00 58.87 58.23 1bex n SER 100 Cb 0.08 -0.12 0.12 0.00 -0.26 0.00 0.00 64.21 64.03 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 -6.42 4.33 1.57 -1.74 -3.45 116.57 110.86 1bex h LYS 101 Ca 0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1bex h LYS 101 Cb 0.09 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1bex h LYS 101 CO 0.00 0.05 -0.18 -0.51 -0.57 0.00 0.00 179.45 178.24 1bex s LEU 102 N -6.05 4.11 0.11 2.94 1.43 -1.14 -5.11 118.68 114.98 1bex s LEU 102 Ca 0.05 0.68 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 1bex s LEU 102 Cb 0.06 -3.48 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 1bex s LEU 102 CO 0.70 -0.14 -0.19 -0.54 0.23 0.00 0.00 176.35 176.41 1bex s LYS 103 N -3.36 1.11 0.44 1.70 -0.14 -1.26 -5.07 119.74 113.15 1bex s LYS 103 Ca 0.43 -1.19 -0.24 0.00 -1.36 0.00 0.00 55.97 53.61 1bex s LYS 103 Cb -0.11 -1.27 -0.08 0.00 -1.68 0.00 0.00 37.83 34.69 1bex s LYS 103 CO 0.28 0.28 1.17 -1.21 -0.76 0.00 0.00 175.35 175.11 1bex s GLU 104 N -2.14 3.88 0.00 1.68 0.41 -1.26 -3.14 118.70 118.13 1bex s GLU 104 Ca 0.08 1.79 0.00 0.00 -0.41 0.00 0.00 54.97 56.43 1bex s GLU 104 Cb -0.09 -2.51 0.00 0.00 -1.78 0.00 0.00 34.13 29.75 1bex s GLU 104 CO 0.04 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 174.77 1bex n GLY 105 N 0.51 2.16 3.74 -1.39 0.00 -1.26 -4.98 105.19 103.96 1bex n GLY 105 Ca 0.06 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 2.28 -0.30 1.61 2.56 -1.19 -5.01 118.70 118.66 1bex s GLU 106 Ca 0.00 1.49 -0.03 0.00 0.00 0.00 0.00 54.97 56.43 1bex s GLU 106 Cb 0.00 -1.88 0.04 0.00 2.00 0.00 0.00 34.13 34.29 1bex s GLU 106 CO 0.00 -1.67 0.02 -0.65 -0.56 0.00 0.00 175.26 172.39 1bex s GLN 107 N -4.23 2.65 0.27 4.30 -0.21 -1.26 -4.88 119.66 116.30 1bex s GLN 107 Ca 0.68 -1.13 0.06 0.00 0.02 0.00 0.00 55.36 54.99 1bex s GLN 107 Cb -0.23 -3.22 -0.03 0.00 1.00 0.00 0.00 33.01 30.53 1bex s GLN 107 CO 0.47 -0.56 0.36 0.71 -2.12 0.00 0.00 175.29 174.15 1bex s TYR 108 N 1.33 3.30 -0.01 0.91 2.02 -1.20 0.77 117.35 124.48 1bex s TYR 108 Ca -0.02 -0.09 -0.01 0.00 -0.37 0.00 0.00 57.07 56.57 1bex s TYR 108 Cb -0.19 -1.65 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 1bex s TYR 108 CO -0.00 0.34 0.03 -1.64 -1.57 0.00 0.00 175.55 172.71 1bex s MET 109 N -4.00 0.10 0.12 -0.62 -1.94 -0.24 -2.83 119.30 109.88 1bex s MET 109 Ca 0.37 -0.05 0.07 0.00 -1.71 0.00 0.00 55.69 54.36 1bex s MET 109 Cb -0.09 0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.75 1bex s MET 109 CO 0.29 -0.02 -0.06 -0.59 -0.01 0.00 0.00 175.02 174.64 1bex s PHE 110 N -0.23 2.82 0.07 -0.03 -0.12 0.76 -1.98 117.98 119.27 1bex s PHE 110 Ca -0.03 -0.12 -0.27 0.00 -0.05 0.00 0.00 56.93 56.46 1bex s PHE 110 Cb -0.02 -1.44 0.08 0.00 -0.63 0.00 0.00 43.02 41.01 1bex s PHE 110 CO -0.00 0.46 0.99 -0.59 -0.05 0.00 0.00 175.22 176.03 1bex s PHE 111 N -1.35 -0.18 -0.12 3.49 -0.71 0.85 -1.73 117.98 118.23 1bex s PHE 111 Ca 0.24 -0.04 -0.06 0.00 -1.04 0.00 0.00 56.93 56.03 1bex s PHE 111 Cb -0.11 0.59 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1bex s PHE 111 CO 0.16 -0.65 0.11 0.00 -1.34 0.00 0.00 175.22 173.50 1bex n THR 113 N 2.13 1.74 -2.19 0.00 -2.24 -1.26 -3.20 114.28 109.25 1bex n THR 113 Ca -0.19 -1.37 -0.41 0.00 -2.27 0.00 0.00 64.05 59.80 1bex n THR 113 Cb 0.55 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.86 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 -1.92 3.22 -0.47 4.78 2.19 -1.26 -4.39 117.98 120.12 1bex s PHE 114 Ca 0.39 1.24 -0.45 0.00 0.33 0.00 0.00 56.93 58.44 1bex s PHE 114 Cb 0.27 -3.62 -0.19 0.00 -1.31 0.00 0.00 43.02 38.16 1bex s PHE 114 CO 0.16 -1.90 1.72 -2.30 1.83 0.00 0.00 175.22 174.73 1bex n PRO 115 N 2.31 0.16 -0.10 10.12 -0.02 -1.26 -1.28 135.00 144.93 1bex n PRO 115 Ca 0.05 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1bex n PRO 115 Cb 0.42 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 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 4.67 2.02 0.13 -1.23 0.00 -1.26 -4.91 105.19 104.60 1bex n GLY 116 Ca 0.35 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 0.49 -0.10 1.61 3.86 -1.47 -3.32 115.15 116.22 1bex h HIS 117 Ca 0.00 -0.31 0.03 0.00 -1.16 0.00 0.00 60.37 58.93 1bex h HIS 117 Cb 0.00 -0.04 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1bex h HIS 117 CO 0.00 1.18 0.27 0.66 0.86 0.00 0.00 177.93 180.90 1bex h SER 118 N 0.14 0.00 0.11 2.45 4.64 -1.72 0.55 113.55 119.71 1bex h SER 118 Ca -0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.16 1bex h SER 118 Cb 1.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.82 1bex h SER 118 CO 0.18 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.92 1bex h ALA 119 N 1.55 1.42 0.00 5.18 0.00 -1.90 -3.35 119.26 122.16 1bex h ALA 119 Ca 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1bex h ALA 119 Cb 0.59 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1bex h ALA 119 CO -0.00 0.41 -1.34 1.28 0.00 0.00 0.00 179.25 179.60 1bex n LEU 120 N -4.21 2.91 -4.44 0.00 4.77 -0.58 -4.86 117.00 110.59 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 0.32 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 1bex n LEU 120 CO 0.39 0.58 1.19 -0.04 -1.33 0.00 0.00 177.39 178.18 1bex s MET 121 N -2.12 3.98 0.11 3.23 -1.94 0.08 -4.80 119.30 117.84 1bex s MET 121 Ca -0.08 -2.47 -0.20 0.00 -1.71 0.00 0.00 55.69 51.23 1bex s MET 121 Cb 0.02 -4.95 0.05 0.00 2.01 0.00 0.00 34.83 31.97 1bex s MET 121 CO 0.14 -1.69 0.50 -1.59 -0.01 0.00 0.00 175.02 172.37 1bex s LYS 122 N 1.43 1.12 0.04 2.03 -2.85 -1.26 -2.39 119.74 117.86 1bex s LYS 122 Ca 0.38 -0.49 -0.28 0.00 -1.00 0.00 0.00 55.97 54.59 1bex s LYS 122 Cb -0.04 0.51 0.10 0.00 -2.06 0.00 0.00 37.83 36.33 1bex s LYS 122 CO -0.03 -0.44 1.20 0.20 0.10 0.00 0.00 175.35 176.38 1bex s GLY 123 N -2.52 -0.22 0.11 0.59 0.00 -0.70 -4.74 107.32 99.83 1bex s GLY 123 Ca -0.00 0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.96 1bex s GLY 123 CO -0.09 1.99 0.31 -0.51 0.00 0.00 0.00 173.10 174.80 1bex s THR 124 N -2.38 5.27 -0.09 0.90 -4.23 -0.93 -0.17 115.64 114.01 1bex s THR 124 Ca 0.19 -0.19 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 1bex s THR 124 Cb 0.01 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.23 1bex s THR 124 CO -0.01 0.06 -0.10 -0.22 -0.54 0.00 0.00 174.62 173.81 1bex s LEU 125 N -2.67 1.45 -0.01 4.79 1.98 -1.13 -0.11 118.68 122.98 1bex s LEU 125 Ca 0.38 -0.31 0.04 0.00 -2.89 0.00 0.00 54.13 51.34 1bex s LEU 125 Cb -0.12 -0.86 -0.01 0.00 0.66 0.00 0.00 46.19 45.86 1bex s LEU 125 CO 0.26 -0.04 -0.11 0.42 -1.89 0.00 0.00 176.35 174.99 1bex s THR 126 N 1.17 0.90 -0.33 3.68 -4.23 -0.82 -3.23 115.64 112.78 1bex s THR 126 Ca -0.05 -0.51 -0.21 0.00 -1.18 0.00 0.00 61.69 59.74 1bex s THR 126 Cb -0.14 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 72.94 1bex s THR 126 CO -0.02 0.24 0.69 -0.22 -0.54 0.00 0.00 174.62 174.76 1bex s LEU 127 N -0.31 4.16 0.00 4.79 2.96 -1.26 -0.15 118.68 128.87 1bex s LEU 127 Ca 0.04 0.37 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1bex s LEU 127 Cb -0.05 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.75 1bex s LEU 127 CO -0.00 -0.58 0.01 0.29 -1.32 0.00 0.00 176.35 174.74