#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlx s GLU 2 N 0.00 3.79 -1.38 0.00 2.12 -1.26 -3.75 118.70 118.23 1vlx s GLU 2 Ca 0.00 0.77 0.00 0.00 0.36 0.00 0.00 54.97 56.10 1vlx s GLU 2 Cb 0.00 -3.88 0.00 0.00 0.26 0.00 0.00 34.13 30.51 1vlx s GLU 2 CO 0.00 -1.28 0.00 0.00 -0.54 0.00 0.00 175.26 173.44 1vlx s SER 4 N -2.09 -0.19 -0.07 0.00 1.04 -1.25 -1.45 113.70 109.70 1vlx s SER 4 Ca 0.00 -0.58 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 1vlx s SER 4 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.69 1vlx s SER 4 CO 0.00 -1.02 0.28 0.54 0.98 0.00 0.00 173.24 174.02 1vlx s VAL 5 N -3.90 0.02 -0.18 5.02 0.11 0.32 -2.33 120.40 119.47 1vlx s VAL 5 Ca 0.11 -0.20 -0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1vlx s VAL 5 Cb -0.00 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 1vlx s VAL 5 CO -0.02 -0.11 -0.01 -1.81 -3.33 0.00 0.00 175.10 169.82 1vlx s ASP 6 N -0.41 4.92 0.00 3.54 1.01 -1.26 -0.20 116.67 124.28 1vlx s ASP 6 Ca -0.05 -0.13 0.01 0.00 0.71 0.00 0.00 52.55 53.09 1vlx s ASP 6 Cb -0.03 -1.82 -0.01 0.00 1.01 0.00 0.00 42.92 42.06 1vlx s ASP 6 CO 0.02 0.12 -0.05 -0.51 0.21 0.00 0.00 175.17 174.96 1vlx s ILE 7 N 0.64 0.37 0.10 0.77 2.07 0.01 -4.95 121.20 120.21 1vlx s ILE 7 Ca -0.01 -0.29 0.09 0.00 -1.41 0.00 0.00 60.65 59.03 1vlx s ILE 7 Cb -0.14 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.08 1vlx s ILE 7 CO 0.02 0.05 -0.20 -1.10 -1.91 0.00 0.00 174.94 171.80 1vlx s GLN 8 N -0.26 1.77 -0.11 3.50 -0.21 -1.26 -1.51 119.66 121.59 1vlx s GLN 8 Ca 0.00 -1.17 0.03 0.00 0.02 0.00 0.00 55.36 54.25 1vlx s GLN 8 Cb -0.03 -2.08 0.01 0.00 1.00 0.00 0.00 33.01 31.91 1vlx s GLN 8 CO -0.00 0.49 -0.21 0.20 -2.12 0.00 0.00 175.29 173.65 1vlx s GLY 9 N -1.94 1.22 0.08 3.09 0.00 -0.39 -1.84 107.32 107.54 1vlx s GLY 9 Ca 0.16 -0.89 0.01 0.00 0.00 0.00 0.00 44.72 44.00 1vlx s GLY 9 CO 0.08 -0.12 0.06 1.16 0.00 0.00 0.00 173.10 174.28 1vlx n ASN 10 N 3.78 1.15 -0.01 1.64 0.23 -0.87 -3.13 115.26 118.05 1vlx n ASN 10 Ca -0.20 -1.26 0.15 0.00 -0.53 0.00 0.00 54.58 52.74 1vlx n ASN 10 Cb 0.52 -0.01 0.75 0.00 -2.08 0.00 0.00 39.78 38.97 1vlx n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1vlx n ASP 11 N -2.07 0.06 -1.74 0.53 8.00 -1.26 -3.13 116.55 116.94 1vlx n ASP 11 Ca -0.00 -0.27 -0.05 0.00 0.71 0.00 0.00 54.79 55.19 1vlx n ASP 11 Cb 0.09 -0.23 0.28 0.00 -0.02 0.00 0.00 41.12 41.23 1vlx n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vlx n GLN 12 N -1.22 3.26 -3.87 -1.24 3.00 -1.26 -4.95 117.38 111.10 1vlx n GLN 12 Ca 0.15 -3.07 -0.26 0.00 -0.01 0.00 0.00 57.00 53.82 1vlx n GLN 12 Cb 0.24 -2.11 0.01 0.00 0.00 0.00 0.00 30.24 28.38 1vlx n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1vlx n MET 13 N -0.41 -4.35 -4.14 -1.09 2.81 -1.18 -5.00 117.12 103.76 1vlx n MET 13 Ca 0.38 0.52 -0.15 0.00 -1.81 0.00 0.00 57.70 56.64 1vlx n MET 13 Cb 1.29 -5.02 -0.12 0.00 -0.71 0.00 0.00 33.22 28.66 1vlx n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1vlx s GLN 14 N -6.38 0.58 0.07 0.03 -0.21 -1.26 -4.48 119.66 108.02 1vlx s GLN 14 Ca 0.20 -0.62 0.00 0.00 0.02 0.00 0.00 55.36 54.96 1vlx s GLN 14 Cb -0.10 -0.46 -0.04 0.00 1.00 0.00 0.00 33.01 33.41 1vlx s GLN 14 CO 0.85 0.10 0.22 -0.06 -2.12 0.00 0.00 175.29 174.28 1vlx s PHE 15 N -0.97 3.51 -0.08 0.91 0.08 -1.26 -2.05 117.98 118.12 1vlx s PHE 15 Ca -0.05 0.23 0.28 0.00 0.12 0.00 0.00 56.93 57.52 1vlx s PHE 15 Cb -0.08 -1.75 0.92 0.00 -0.57 0.00 0.00 43.02 41.54 1vlx s PHE 15 CO 0.00 0.58 1.82 -2.95 -0.10 0.00 0.00 175.22 174.57 1vlx h ASN 16 N 2.98 0.00 -4.51 1.36 -1.07 -1.75 -3.44 115.58 109.15 1vlx h ASN 16 Ca -0.45 0.00 -0.40 0.00 0.07 0.00 0.00 56.30 55.52 1vlx h ASN 16 Cb 1.16 0.00 -0.21 0.00 -2.07 0.00 0.00 38.32 37.20 1vlx h ASN 16 CO 0.75 0.06 -0.77 0.28 0.07 0.00 0.00 177.43 177.81 1vlx s THR 17 N -3.49 1.05 0.00 6.14 -1.32 -1.26 -5.03 115.64 111.73 1vlx s THR 17 Ca 0.03 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.23 1vlx s THR 17 Cb 0.08 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 1vlx s THR 17 CO 0.61 -0.24 0.70 -0.46 -2.21 0.00 0.00 174.62 173.01 1vlx n ASN 18 N 1.30 1.36 -3.72 8.08 0.23 -1.26 -4.89 115.26 116.36 1vlx n ASN 18 Ca -0.21 -1.44 -0.14 0.00 -0.53 0.00 0.00 54.58 52.26 1vlx n ASN 18 Cb 0.54 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.10 1vlx n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vlx s ALA 19 N -0.44 -0.41 -0.12 -2.53 0.00 -1.26 -1.89 121.76 115.11 1vlx s ALA 19 Ca 0.00 0.82 0.02 0.00 0.00 0.00 0.00 51.96 52.81 1vlx s ALA 19 Cb 0.00 -0.66 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1vlx s ALA 19 CO 0.00 -0.30 -0.20 0.42 0.00 0.00 0.00 175.76 175.68 1vlx s ILE 20 N 1.56 2.40 -0.15 0.00 1.01 0.57 -4.96 121.20 121.63 1vlx s ILE 20 Ca -0.06 -0.89 -0.02 0.00 0.00 0.00 0.00 60.65 59.68 1vlx s ILE 20 Cb -0.11 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1vlx s ILE 20 CO -0.07 0.54 -0.07 -0.89 0.00 0.00 0.00 174.94 174.45 1vlx s THR 21 N 0.45 3.59 -0.12 2.92 2.01 -1.26 -1.01 115.64 122.22 1vlx s THR 21 Ca -0.14 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.38 1vlx s THR 21 Cb -0.17 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 1vlx s THR 21 CO 0.06 0.50 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.75 1vlx s VAL 22 N 0.40 3.87 0.10 3.82 1.01 -0.22 -4.95 120.40 124.44 1vlx s VAL 22 Ca -0.06 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 1vlx s VAL 22 Cb -0.15 -2.65 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 1vlx s VAL 22 CO 0.04 0.54 0.50 -0.62 0.00 0.00 0.00 175.10 175.56 1vlx s ASP 23 N -0.19 6.81 0.47 3.32 2.15 -1.26 -0.11 116.67 127.87 1vlx s ASP 23 Ca 0.03 1.02 0.21 0.00 0.43 0.00 0.00 52.55 54.24 1vlx s ASP 23 Cb -0.13 -2.27 1.19 0.00 -0.30 0.00 0.00 42.92 41.42 1vlx s ASP 23 CO 0.02 0.17 2.00 0.11 -0.17 0.00 0.00 175.17 177.31 1vlx h LYS 24 N 3.87 0.00 0.00 4.34 1.57 -1.11 -2.47 116.57 122.77 1vlx h LYS 24 Ca -0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1vlx h LYS 24 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1vlx h LYS 24 CO 0.65 0.18 -0.00 0.77 -0.57 0.00 0.00 179.45 180.48 1vlx h SER 25 N 0.00 0.00 -3.13 0.86 0.02 -1.94 -3.43 113.55 105.93 1vlx h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1vlx h SER 25 Cb 0.39 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.96 1vlx h SER 25 CO 0.02 0.00 0.73 0.00 -1.14 0.00 0.00 176.83 176.45 1vlx h LYS 27 N 6.15 0.48 -5.04 0.00 6.56 -1.89 -3.42 116.57 119.41 1vlx h LYS 27 Ca -0.43 -0.82 -0.38 0.00 -1.06 0.00 0.00 60.65 57.95 1vlx h LYS 27 Cb 1.21 0.31 -0.14 0.00 -0.57 0.00 0.00 32.23 33.03 1vlx h LYS 27 CO 0.83 1.39 -0.64 -0.65 -2.06 0.00 0.00 179.45 178.32 1vlx s GLN 28 N -2.58 1.37 -0.02 3.15 -0.21 -1.26 -0.98 119.66 119.13 1vlx s GLN 28 Ca -0.12 -1.71 -0.00 0.00 0.02 0.00 0.00 55.36 53.55 1vlx s GLN 28 Cb 0.04 -0.55 0.03 0.00 1.00 0.00 0.00 33.01 33.53 1vlx s GLN 28 CO 0.91 -0.15 0.03 0.12 -2.12 0.00 0.00 175.29 174.08 1vlx s PHE 29 N -3.48 0.08 -0.14 0.91 5.36 0.86 -4.79 117.98 116.78 1vlx s PHE 29 Ca 0.31 0.12 -0.04 0.00 -0.96 0.00 0.00 56.93 56.36 1vlx s PHE 29 Cb 0.06 -0.29 -0.03 0.00 -0.34 0.00 0.00 43.02 42.42 1vlx s PHE 29 CO 0.10 -0.11 -0.01 0.99 -1.46 0.00 0.00 175.22 174.73 1vlx s THR 30 N 1.20 4.15 -0.20 0.12 2.01 -0.53 -1.58 115.64 120.81 1vlx s THR 30 Ca -0.07 -0.28 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1vlx s THR 30 Cb -0.13 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.59 1vlx s THR 30 CO -0.03 0.52 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.59 1vlx s VAL 31 N -0.03 2.48 -0.23 3.82 1.01 -0.43 -0.52 120.40 126.50 1vlx s VAL 31 Ca 0.03 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 1vlx s VAL 31 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1vlx s VAL 31 CO 0.02 0.47 0.12 0.20 0.00 0.00 0.00 175.10 175.91 1vlx s ASN 32 N 1.34 5.80 -0.12 3.32 0.01 0.73 -2.26 114.94 123.76 1vlx s ASN 32 Ca 0.05 0.04 0.02 0.00 -0.71 0.00 0.00 52.86 52.25 1vlx s ASN 32 Cb -0.14 -2.04 -0.01 0.00 0.41 0.00 0.00 41.25 39.48 1vlx s ASN 32 CO -0.10 0.07 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.17 1vlx s LEU 33 N 1.03 2.48 0.10 0.60 2.96 0.20 -0.81 118.68 125.24 1vlx s LEU 33 Ca 0.06 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.61 1vlx s LEU 33 Cb -0.14 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.99 1vlx s LEU 33 CO 0.04 0.17 -0.14 -0.94 -1.32 0.00 0.00 176.35 174.15 1vlx s SER 34 N 0.33 1.88 -0.61 3.68 1.04 -0.57 -1.00 113.70 118.45 1vlx s SER 34 Ca -0.14 -0.73 0.04 0.00 0.48 0.00 0.00 55.95 55.60 1vlx s SER 34 Cb -0.17 -0.06 0.15 0.00 0.10 0.00 0.00 66.02 66.05 1vlx s SER 34 CO 0.07 -0.12 0.39 -2.28 0.98 0.00 0.00 173.24 172.28 1vlx s HIS 35 N -1.79 3.20 0.64 5.02 2.46 -1.15 -1.26 115.29 122.41 1vlx s HIS 35 Ca 0.05 -3.17 -0.16 0.00 0.47 0.00 0.00 55.06 52.25 1vlx s HIS 35 Cb -0.07 -2.59 -0.01 0.00 -0.13 0.00 0.00 32.58 29.78 1vlx s HIS 35 CO 0.03 -0.64 1.13 -1.25 -2.47 0.00 0.00 174.74 171.53 1vlx s PRO 36 N -0.87 2.84 0.00 2.88 0.04 -1.18 -1.87 135.00 136.84 1vlx s PRO 36 Ca 0.22 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1vlx s PRO 36 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.47 1vlx s PRO 36 CO -0.10 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.11 1vlx n GLY 37 N -0.25 0.62 0.00 0.56 0.00 -1.26 -4.02 105.19 100.83 1vlx n GLY 37 Ca 0.11 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1vlx n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vlx n ASN 38 N 1.52 0.57 -4.82 1.61 4.13 -1.26 -4.42 115.26 112.59 1vlx n ASN 38 Ca 0.00 -1.08 -0.37 0.00 1.68 0.00 0.00 54.58 54.81 1vlx n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 1vlx n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1vlx s LEU 39 N -0.08 4.43 1.05 3.41 1.43 -1.26 -4.88 118.68 122.77 1vlx s LEU 39 Ca 0.00 1.24 -0.14 0.00 -1.03 0.00 0.00 54.13 54.20 1vlx s LEU 39 Cb 0.00 -3.17 0.21 0.00 0.03 0.00 0.00 46.19 43.26 1vlx s LEU 39 CO 0.00 0.17 1.11 -2.16 0.23 0.00 0.00 176.35 175.70 1vlx s PRO 40 N -1.57 0.04 0.21 1.29 0.04 -1.26 -1.49 135.00 132.27 1vlx s PRO 40 Ca 0.35 0.26 -0.08 0.00 0.04 0.00 0.00 61.00 61.57 1vlx s PRO 40 Cb -0.18 -1.71 0.16 0.00 0.04 0.00 0.00 34.50 32.81 1vlx s PRO 40 CO 0.20 -2.93 1.80 -0.22 0.04 0.00 0.00 177.00 175.88 1vlx h LYS 41 N -2.03 1.16 0.00 4.56 3.64 -1.88 -0.66 116.57 121.36 1vlx h LYS 41 Ca -0.51 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 58.69 1vlx h LYS 41 Cb 1.32 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1vlx h LYS 41 CO 0.51 0.91 0.00 -2.95 -2.27 0.00 0.00 179.45 175.65 1vlx h ASN 42 N 1.13 0.00 0.00 4.20 -1.07 -1.96 -2.57 115.58 115.31 1vlx h ASN 42 Ca 0.27 0.00 -0.37 0.00 0.07 0.00 0.00 56.30 56.27 1vlx h ASN 42 Cb 0.15 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 1vlx h ASN 42 CO -0.03 0.00 -2.26 0.52 0.07 0.00 0.00 177.43 175.73 1vlx n VAL 43 N -2.59 1.24 -2.39 6.14 0.31 -1.00 -4.75 118.33 115.29 1vlx n VAL 43 Ca 0.01 -0.34 -0.18 0.00 -0.01 0.00 0.00 64.34 63.82 1vlx n VAL 43 Cb 0.26 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 31.48 1vlx n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1vlx n MET 44 N -3.88 2.88 -1.78 5.55 1.56 -0.29 -5.04 117.12 116.12 1vlx n MET 44 Ca -0.44 -4.02 -0.41 0.00 -0.27 0.00 0.00 57.70 52.56 1vlx n MET 44 Cb 0.83 -2.01 -0.01 0.00 2.15 0.00 0.00 33.22 34.18 1vlx n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1vlx s GLY 45 N -3.56 2.51 -0.07 -5.12 0.00 -0.97 -4.78 107.32 95.33 1vlx s GLY 45 Ca 0.42 1.58 -0.01 0.00 0.00 0.00 0.00 44.72 46.72 1vlx s GLY 45 CO -0.04 2.42 -0.02 0.30 0.00 0.00 0.00 173.10 175.76 1vlx s HIS 46 N -0.54 0.83 0.18 1.90 3.76 -0.42 -4.71 115.29 116.29 1vlx s HIS 46 Ca 0.58 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1vlx s HIS 46 Cb -0.47 -0.84 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 1vlx s HIS 46 CO 0.56 -0.33 -0.16 0.54 -0.85 0.00 0.00 174.74 174.50 1vlx s ASN 47 N 1.67 2.58 -0.18 1.40 2.20 -1.26 -0.45 114.94 120.90 1vlx s ASN 47 Ca 0.01 -0.92 -0.01 0.00 -0.94 0.00 0.00 52.86 51.00 1vlx s ASN 47 Cb -0.13 -0.14 -0.00 0.00 -2.00 0.00 0.00 41.25 38.98 1vlx s ASN 47 CO -0.04 -0.10 -0.12 0.86 -2.94 0.00 0.00 177.10 174.76 1vlx s TRP 48 N -2.41 2.85 -0.00 1.54 -0.00 -1.26 -3.89 118.94 115.77 1vlx s TRP 48 Ca 0.18 -1.08 0.08 0.00 -0.00 0.00 0.00 56.10 55.28 1vlx s TRP 48 Cb -0.04 -1.97 -0.02 0.00 -0.00 0.00 0.00 33.47 31.44 1vlx s TRP 48 CO 0.06 -0.54 -0.24 0.08 -0.00 0.00 0.00 176.95 176.31 1vlx s VAL 49 N 1.11 1.94 -0.07 5.86 1.01 -0.22 -0.52 120.40 129.51 1vlx s VAL 49 Ca 0.00 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1vlx s VAL 49 Cb -0.14 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.62 1vlx s VAL 49 CO -0.03 0.49 -0.16 -0.22 0.00 0.00 0.00 175.10 175.18 1vlx s LEU 50 N -0.72 1.81 0.26 3.92 2.96 -0.48 -1.11 118.68 125.33 1vlx s LEU 50 Ca 0.10 -0.37 -0.18 0.00 -0.22 0.00 0.00 54.13 53.45 1vlx s LEU 50 Cb -0.09 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.61 1vlx s LEU 50 CO -0.00 0.09 0.63 -0.94 -1.32 0.00 0.00 176.35 174.81 1vlx s SER 51 N 0.45 -0.21 0.97 3.68 1.04 -1.12 -1.08 113.70 117.43 1vlx s SER 51 Ca -0.13 -0.71 -0.12 0.00 0.48 0.00 0.00 55.95 55.47 1vlx s SER 51 Cb -0.15 0.67 0.17 0.00 0.10 0.00 0.00 66.02 66.81 1vlx s SER 51 CO 0.05 -1.26 1.09 0.42 0.98 0.00 0.00 173.24 174.51 1vlx s THR 52 N -3.95 2.37 0.26 2.02 -4.23 -1.26 -1.46 115.64 109.38 1vlx s THR 52 Ca 0.15 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.82 1vlx s THR 52 Cb -0.04 -2.40 -0.00 0.00 1.34 0.00 0.00 72.50 71.40 1vlx s THR 52 CO 0.07 -0.16 1.62 0.00 -0.54 0.00 0.00 174.62 175.62 1vlx h ALA 53 N -1.90 0.95 -0.40 3.99 0.00 -1.35 -2.87 119.26 117.68 1vlx h ALA 53 Ca -0.51 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 53.85 1vlx h ALA 53 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1vlx h ALA 53 CO 0.51 0.66 -0.05 0.00 0.00 0.00 0.00 179.25 180.36 1vlx h ALA 54 N 1.25 1.15 -0.00 0.00 0.00 -1.91 -3.19 119.26 116.56 1vlx h ALA 54 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1vlx h ALA 54 Cb 0.96 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1vlx h ALA 54 CO 0.08 0.54 -0.19 -0.25 0.00 0.00 0.00 179.25 179.43 1vlx n ASP 55 N -4.21 0.42 0.28 0.00 8.00 -1.10 -4.50 116.55 115.45 1vlx n ASP 55 Ca 0.02 -0.29 -0.16 0.00 0.71 0.00 0.00 54.79 55.07 1vlx n ASP 55 Cb 0.31 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.25 1vlx n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1vlx h MET 56 N 0.36 -0.67 -0.79 -1.24 1.85 -1.51 -2.22 114.93 110.71 1vlx h MET 56 Ca 0.00 0.05 0.15 0.00 -0.61 0.00 0.00 59.70 59.28 1vlx h MET 56 Cb 0.43 0.15 -0.10 0.00 0.43 0.00 0.00 31.60 32.52 1vlx h MET 56 CO 0.00 -0.40 0.34 0.37 -0.40 0.00 0.00 176.91 176.82 1vlx h GLN 57 N -0.80 0.47 -0.15 0.39 5.75 -1.81 0.24 115.11 119.21 1vlx h GLN 57 Ca -0.07 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.29 1vlx h GLN 57 Cb 0.58 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 1vlx h GLN 57 CO 0.12 0.31 -0.38 0.78 -2.65 0.00 0.00 178.83 177.01 1vlx h GLY 58 N 0.48 0.34 1.00 2.39 0.00 -1.82 0.52 103.07 105.99 1vlx h GLY 58 Ca 0.43 -0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1vlx h GLY 58 CO -0.40 0.29 -0.30 -2.08 0.00 0.00 0.00 176.54 174.05 1vlx h VAL 59 N 0.27 1.29 -0.38 4.60 2.07 -0.62 -0.69 116.25 122.79 1vlx h VAL 59 Ca 0.03 -1.46 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 1vlx h VAL 59 Cb 0.79 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1vlx h VAL 59 CO 0.06 0.47 -0.10 0.58 0.02 0.00 0.00 177.57 178.61 1vlx h VAL 60 N 0.52 1.28 -0.10 2.57 2.07 -0.57 0.98 116.25 123.00 1vlx h VAL 60 Ca 0.05 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 1vlx h VAL 60 Cb 0.87 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1vlx h VAL 60 CO 0.07 0.39 0.04 0.74 0.02 0.00 0.00 177.57 178.83 1vlx h THR 61 N 0.54 1.16 0.00 2.57 2.02 -0.92 0.15 112.91 118.44 1vlx h THR 61 Ca 0.10 -0.47 -0.11 0.00 0.77 0.00 0.00 66.41 66.70 1vlx h THR 61 Cb 0.62 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 1vlx h THR 61 CO 0.04 0.14 -0.51 0.44 0.37 0.00 0.00 175.52 176.00 1vlx h ASP 62 N -0.01 0.00 -0.20 4.18 5.19 -1.15 -2.74 116.42 121.68 1vlx h ASP 62 Ca 0.03 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 1vlx h ASP 62 Cb 0.19 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1vlx h ASP 62 CO -0.00 0.51 0.01 1.23 -3.12 0.00 0.00 179.24 177.87 1vlx h GLY 63 N 1.68 0.37 1.11 2.75 0.00 -0.38 -2.90 103.07 105.70 1vlx h GLY 63 Ca -0.01 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.16 1vlx h GLY 63 CO 0.07 0.24 0.37 1.98 0.00 0.00 0.00 176.54 179.20 1vlx h MET 64 N 0.12 0.34 0.00 4.80 1.85 -0.68 -1.10 114.93 120.26 1vlx h MET 64 Ca 0.06 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1vlx h MET 64 Cb 0.36 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.31 1vlx h MET 64 CO 0.01 0.22 0.00 0.00 -0.40 0.00 0.00 176.91 176.74 1vlx n ALA 65 N -2.53 2.13 0.19 0.39 0.00 -1.12 -3.48 120.51 116.09 1vlx n ALA 65 Ca 0.09 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.55 1vlx n ALA 65 Cb 0.37 -1.41 0.11 0.00 0.00 0.00 0.00 19.45 18.52 1vlx n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1vlx h SER 66 N 0.00 0.00 -4.50 0.00 0.02 -0.99 -3.50 113.55 104.58 1vlx h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vlx h SER 66 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1vlx h SER 66 CO 0.00 0.19 0.00 0.61 -1.14 0.00 0.00 176.83 176.49 1vlx n GLY 67 N 1.15 -0.25 0.34 -3.77 0.00 -1.23 -4.20 105.19 97.23 1vlx n GLY 67 Ca 0.03 -1.70 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 1vlx n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1vlx h LEU 68 N 0.00 1.05 -0.58 0.99 5.85 -1.94 -0.16 115.31 120.51 1vlx h LEU 68 Ca 0.00 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.62 1vlx h LEU 68 Cb 0.00 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.76 1vlx h LEU 68 CO 0.00 0.84 0.00 -0.90 -0.34 0.00 0.00 178.44 178.04 1vlx n ASP 69 N -4.39 0.46 -0.94 1.25 5.75 -1.26 -0.88 116.55 116.54 1vlx n ASP 69 Ca 0.08 0.63 0.08 0.00 -0.01 0.00 0.00 54.79 55.58 1vlx n ASP 69 Cb 0.09 -0.72 0.22 0.00 -1.03 0.00 0.00 41.12 39.68 1vlx n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1vlx n LYS 70 N -2.02 2.67 -2.02 0.11 4.76 -1.05 -4.94 118.16 115.68 1vlx n LYS 70 Ca 0.02 -2.25 -0.21 0.00 -2.87 0.00 0.00 58.31 53.00 1vlx n LYS 70 Cb 0.18 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 31.93 1vlx n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1vlx n ASP 71 N 1.02 -5.69 -3.99 4.39 9.92 -0.06 -2.09 116.55 120.05 1vlx n ASP 71 Ca 0.17 0.23 -0.30 0.00 -0.53 0.00 0.00 54.79 54.36 1vlx n ASP 71 Cb 0.51 -4.85 0.00 0.00 -0.64 0.00 0.00 41.12 36.14 1vlx n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1vlx n TYR 72 N -3.25 -1.96 -3.88 1.24 4.01 -0.10 -4.77 117.16 108.46 1vlx n TYR 72 Ca -0.23 0.84 -0.17 0.00 -0.16 0.00 0.00 57.90 58.18 1vlx n TYR 72 Cb 0.68 -3.68 -0.16 0.00 -0.31 0.00 0.00 39.34 35.87 1vlx n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1vlx s LEU 73 N -7.14 1.08 -0.09 7.72 1.43 -0.89 -4.30 118.68 116.49 1vlx s LEU 73 Ca 0.47 -0.01 -0.30 0.00 -1.03 0.00 0.00 54.13 53.26 1vlx s LEU 73 Cb -0.25 -0.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1vlx s LEU 73 CO 0.87 -0.12 1.43 -0.75 0.23 0.00 0.00 176.35 178.01 1vlx s LYS 74 N 1.12 4.23 0.35 1.70 2.20 -1.26 -4.87 119.74 123.21 1vlx s LYS 74 Ca -0.08 1.92 -0.28 0.00 -0.36 0.00 0.00 55.97 57.16 1vlx s LYS 74 Cb -0.13 -3.80 -0.12 0.00 -1.51 0.00 0.00 37.83 32.26 1vlx s LYS 74 CO -0.02 -0.73 1.38 -2.30 -0.36 0.00 0.00 175.35 173.32 1vlx n PRO 75 N 6.52 2.36 -2.72 4.03 -0.02 -1.26 -2.68 135.00 141.22 1vlx n PRO 75 Ca 0.15 0.83 -0.19 0.00 -2.02 0.00 0.00 63.50 62.26 1vlx n PRO 75 Cb 0.44 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.46 1vlx n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1vlx n ASP 76 N 0.74 -5.55 -4.63 2.55 8.00 -1.26 -4.91 116.55 111.49 1vlx n ASP 76 Ca 0.04 -0.17 -0.43 0.00 0.71 0.00 0.00 54.79 54.94 1vlx n ASP 76 Cb 0.37 -4.46 -0.02 0.00 -0.02 0.00 0.00 41.12 36.98 1vlx n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1vlx s ASP 77 N -2.53 6.49 0.21 -2.24 -1.08 -1.09 -4.85 116.67 111.58 1vlx s ASP 77 Ca 0.17 1.47 0.20 0.00 -0.52 0.00 0.00 52.55 53.87 1vlx s ASP 77 Cb -0.08 -2.53 0.89 0.00 -1.46 0.00 0.00 42.92 39.74 1vlx s ASP 77 CO 0.21 -1.19 1.61 -1.54 0.52 0.00 0.00 175.17 174.78 1vlx n SER 78 N 8.13 0.49 0.15 -0.34 3.41 -1.26 -2.18 113.62 122.02 1vlx n SER 78 Ca 0.17 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1vlx n SER 78 Cb 0.46 -0.74 0.13 0.00 -0.26 0.00 0.00 64.21 63.79 1vlx n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1vlx h ARG 79 N 0.00 0.00 -6.46 4.33 3.08 -1.97 -3.45 114.38 109.91 1vlx h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1vlx h ARG 79 Cb 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.23 1vlx h ARG 79 CO 0.00 0.00 0.87 0.08 -1.07 0.00 0.00 179.97 179.85 1vlx s VAL 80 N -3.25 4.39 0.05 2.04 1.01 -0.93 -4.51 120.40 119.20 1vlx s VAL 80 Ca 0.04 1.52 -0.18 0.00 0.00 0.00 0.00 61.98 63.37 1vlx s VAL 80 Cb 0.08 -4.49 -0.18 0.00 0.00 0.00 0.00 36.38 31.80 1vlx s VAL 80 CO 0.72 -0.69 1.23 0.40 0.00 0.00 0.00 175.10 176.76 1vlx h ILE 81 N 5.93 1.36 -1.96 2.22 2.04 -1.42 -3.47 117.51 122.20 1vlx h ILE 81 Ca -0.22 -1.83 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 1vlx h ILE 81 Cb 1.06 2.19 -0.19 0.00 -0.74 0.00 0.00 36.82 39.14 1vlx h ILE 81 CO 1.07 0.55 0.30 0.00 0.00 0.00 0.00 178.15 180.07 1vlx s ALA 82 N -3.68 -1.80 0.18 1.87 0.00 -1.25 -5.03 121.76 112.05 1vlx s ALA 82 Ca -0.13 1.32 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 1vlx s ALA 82 Cb 0.06 -0.11 0.04 0.00 0.00 0.00 0.00 23.12 23.10 1vlx s ALA 82 CO 0.83 -0.39 0.54 -3.38 0.00 0.00 0.00 175.76 173.35 1vlx s HIS 83 N -1.42 -0.23 0.44 0.00 -3.43 -1.26 -1.38 115.29 108.01 1vlx s HIS 83 Ca -0.07 -0.08 0.07 0.00 -0.80 0.00 0.00 55.06 54.18 1vlx s HIS 83 Cb -0.00 0.43 -0.02 0.00 -1.43 0.00 0.00 32.58 31.56 1vlx s HIS 83 CO 0.05 -0.89 0.36 0.95 -2.00 0.00 0.00 174.74 173.21 1vlx s THR 84 N -3.84 2.46 0.99 -5.38 -4.23 0.32 -4.78 115.64 101.18 1vlx s THR 84 Ca 0.06 -1.41 -0.13 0.00 -1.18 0.00 0.00 61.69 59.03 1vlx s THR 84 Cb -0.01 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.15 1vlx s THR 84 CO -0.06 0.00 1.11 -0.54 -0.54 0.00 0.00 174.62 174.60 1vlx s LYS 85 N -4.13 0.48 -0.23 3.99 -0.14 -1.26 -4.45 119.74 114.01 1vlx s LYS 85 Ca 0.46 0.35 -0.15 0.00 -1.36 0.00 0.00 55.97 55.27 1vlx s LYS 85 Cb -0.02 -1.76 -0.04 0.00 -1.68 0.00 0.00 37.83 34.33 1vlx s LYS 85 CO 0.26 -2.66 0.36 -1.17 -0.76 0.00 0.00 175.35 171.39 1vlx s LEU 86 N -6.36 4.12 0.18 3.17 2.96 -1.26 -4.27 118.68 117.21 1vlx s LEU 86 Ca 0.66 0.40 0.10 0.00 -0.22 0.00 0.00 54.13 55.07 1vlx s LEU 86 Cb -0.16 -2.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1vlx s LEU 86 CO 0.56 -0.09 -0.19 0.27 -1.32 0.00 0.00 176.35 175.58 1vlx s ILE 87 N 1.49 2.68 0.28 6.68 -4.36 0.41 -4.89 121.20 123.49 1vlx s ILE 87 Ca 0.16 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 58.76 1vlx s ILE 87 Cb -0.15 -2.29 0.04 0.00 1.25 0.00 0.00 42.46 41.32 1vlx s ILE 87 CO 0.08 -0.08 0.35 0.61 0.24 0.00 0.00 174.94 176.14 1vlx n GLY 88 N 0.28 2.12 3.76 6.27 0.00 -1.26 -1.30 105.19 115.06 1vlx n GLY 88 Ca -0.13 -2.19 -0.38 0.00 0.00 0.00 0.00 46.02 43.33 1vlx n GLY 88 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vlx s SER 89 N -2.69 5.58 0.00 1.61 1.04 -0.56 -2.14 113.70 116.54 1vlx s SER 89 Ca 0.27 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1vlx s SER 89 Cb -0.02 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1vlx s SER 89 CO 0.17 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.65 1vlx n GLY 90 N 0.64 2.78 3.97 7.32 0.00 -0.78 -4.93 105.19 114.19 1vlx n GLY 90 Ca 0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1vlx n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1vlx s GLU 91 N -0.06 2.87 -0.05 1.61 2.02 -0.91 -4.97 118.70 119.21 1vlx s GLU 91 Ca 0.00 -1.21 -0.14 0.00 0.02 0.00 0.00 54.97 53.63 1vlx s GLU 91 Cb 0.00 -2.70 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1vlx s GLU 91 CO 0.00 -0.11 0.33 0.21 0.02 0.00 0.00 175.26 175.71 1vlx s LYS 92 N -4.22 0.59 0.02 1.61 2.47 -1.26 -2.93 119.74 116.01 1vlx s LYS 92 Ca 0.49 0.05 -0.24 0.00 -1.56 0.00 0.00 55.97 54.70 1vlx s LYS 92 Cb -0.08 0.27 0.06 0.00 -1.46 0.00 0.00 37.83 36.61 1vlx s LYS 92 CO 0.31 -0.14 0.56 0.34 0.16 0.00 0.00 175.35 176.58 1vlx s ASP 93 N -0.82 -0.50 0.04 1.43 2.15 -0.17 -5.02 116.67 113.78 1vlx s ASP 93 Ca -0.09 0.33 -0.05 0.00 0.43 0.00 0.00 52.55 53.17 1vlx s ASP 93 Cb -0.04 0.50 -0.01 0.00 -0.30 0.00 0.00 42.92 43.06 1vlx s ASP 93 CO 0.03 -0.68 0.09 -0.94 -0.17 0.00 0.00 175.17 173.50 1vlx s SER 94 N -1.71 0.19 0.00 -0.34 1.04 -1.26 0.60 113.70 112.22 1vlx s SER 94 Ca -0.07 -0.54 -0.01 0.00 0.48 0.00 0.00 55.95 55.81 1vlx s SER 94 Cb -0.01 0.22 -0.01 0.00 0.10 0.00 0.00 66.02 66.32 1vlx s SER 94 CO 0.02 -0.50 0.00 0.54 0.98 0.00 0.00 173.24 174.28 1vlx s VAL 95 N -2.58 0.04 -0.03 5.02 0.11 -0.96 -4.97 120.40 117.04 1vlx s VAL 95 Ca -0.05 -0.35 0.06 0.00 -2.93 0.00 0.00 61.98 58.70 1vlx s VAL 95 Cb -0.01 -0.13 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 1vlx s VAL 95 CO -0.04 -0.19 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.44 1vlx s THR 96 N -0.57 1.66 0.13 5.04 2.01 -1.26 -1.32 115.64 121.32 1vlx s THR 96 Ca -0.06 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.05 1vlx s THR 96 Cb -0.04 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1vlx s THR 96 CO -0.00 0.47 0.07 0.72 -0.69 0.00 0.00 174.62 175.19 1vlx s PHE 97 N -0.30 0.81 0.08 4.92 -0.71 -0.61 -4.92 117.98 117.25 1vlx s PHE 97 Ca 0.03 -1.19 -0.30 0.00 -1.04 0.00 0.00 56.93 54.43 1vlx s PHE 97 Cb -0.10 -0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 41.22 1vlx s PHE 97 CO 0.01 -0.53 1.03 -0.51 -1.34 0.00 0.00 175.22 173.88 1vlx s ASP 98 N -3.04 7.35 0.24 1.98 1.01 -1.26 -0.10 116.67 122.86 1vlx s ASP 98 Ca 0.23 1.84 0.24 0.00 0.71 0.00 0.00 52.55 55.56 1vlx s ASP 98 Cb 0.07 -2.58 0.95 0.00 1.01 0.00 0.00 42.92 42.37 1vlx s ASP 98 CO 0.01 -0.22 1.71 0.52 0.21 0.00 0.00 175.17 177.40 1vlx n VAL 99 N 3.24 0.80 0.88 -1.27 0.31 -0.15 -2.25 118.33 119.89 1vlx n VAL 99 Ca 0.05 0.17 0.09 0.00 -0.01 0.00 0.00 64.34 64.64 1vlx n VAL 99 Cb 0.49 -1.09 0.48 0.00 -0.91 0.00 0.00 33.84 32.81 1vlx n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1vlx n SER 100 N -2.21 0.00 -0.06 4.52 3.41 -1.26 -2.04 113.62 115.99 1vlx n SER 100 Ca 0.03 0.06 0.15 0.00 -0.26 0.00 0.00 58.87 58.84 1vlx n SER 100 Cb 0.25 -0.31 0.71 0.00 -0.26 0.00 0.00 64.21 64.61 1vlx n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1vlx n LYS 101 N -1.31 0.62 -4.29 4.33 5.02 -0.96 -4.77 118.16 116.81 1vlx n LYS 101 Ca 0.09 -0.11 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1vlx n LYS 101 Cb 0.16 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 1vlx n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1vlx s LEU 102 N -2.46 2.84 0.15 -0.35 1.43 -0.86 -5.10 118.68 114.31 1vlx s LEU 102 Ca 0.31 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.93 1vlx s LEU 102 Cb 0.20 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.76 1vlx s LEU 102 CO 0.46 0.16 -0.14 -1.59 0.23 0.00 0.00 176.35 175.46 1vlx s LYS 103 N -2.36 1.13 0.50 1.70 -2.85 -1.26 -5.04 119.74 111.55 1vlx s LYS 103 Ca 0.21 -1.35 -0.21 0.00 -1.00 0.00 0.00 55.97 53.61 1vlx s LYS 103 Cb -0.10 -0.99 -0.06 0.00 -2.06 0.00 0.00 37.83 34.62 1vlx s LYS 103 CO 0.12 0.18 1.16 -2.00 0.10 0.00 0.00 175.35 174.92 1vlx s GLU 104 N -2.99 3.53 0.00 1.78 2.56 -1.26 -3.52 118.70 118.80 1vlx s GLU 104 Ca 0.13 1.74 0.00 0.00 0.00 0.00 0.00 54.97 56.84 1vlx s GLU 104 Cb -0.03 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 33.88 1vlx s GLU 104 CO 0.04 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.41 1vlx n GLY 105 N 0.35 0.65 3.54 -1.50 0.00 -1.26 -5.02 105.19 101.94 1vlx n GLY 105 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 1vlx n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vlx s GLU 106 N -0.15 2.30 -0.17 1.61 2.12 -1.23 -5.12 118.70 118.06 1vlx s GLU 106 Ca 0.00 -0.87 -0.13 0.00 0.36 0.00 0.00 54.97 54.33 1vlx s GLU 106 Cb 0.00 -2.35 -0.05 0.00 0.26 0.00 0.00 34.13 32.00 1vlx s GLU 106 CO 0.00 0.56 0.25 -0.65 -0.54 0.00 0.00 175.26 174.89 1vlx s GLN 107 N -1.53 4.24 0.08 4.30 -0.21 -1.26 -4.86 119.66 120.42 1vlx s GLN 107 Ca 0.17 0.01 0.08 0.00 0.02 0.00 0.00 55.36 55.64 1vlx s GLN 107 Cb -0.11 -3.43 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 1vlx s GLN 107 CO 0.07 0.24 -0.18 0.71 -2.12 0.00 0.00 175.29 174.02 1vlx s TYR 108 N 0.48 2.55 0.16 0.91 2.02 -1.21 -0.98 117.35 121.28 1vlx s TYR 108 Ca 0.14 -0.26 0.11 0.00 -0.37 0.00 0.00 57.07 56.69 1vlx s TYR 108 Cb -0.12 -1.40 -0.04 0.00 -0.40 0.00 0.00 41.96 40.00 1vlx s TYR 108 CO 0.02 0.33 -0.25 -1.64 -1.57 0.00 0.00 175.55 172.44 1vlx s MET 109 N -1.84 1.44 0.02 -0.62 -1.94 -0.54 -2.04 119.30 113.78 1vlx s MET 109 Ca 0.16 -1.43 0.08 0.00 -1.71 0.00 0.00 55.69 52.79 1vlx s MET 109 Cb -0.11 -1.82 -0.03 0.00 2.01 0.00 0.00 34.83 34.89 1vlx s MET 109 CO 0.08 0.41 -0.24 -0.59 -0.01 0.00 0.00 175.02 174.67 1vlx s PHE 110 N -1.43 2.39 0.12 -0.03 -0.12 0.09 -2.81 117.98 116.20 1vlx s PHE 110 Ca 0.17 -0.38 -0.26 0.00 -0.05 0.00 0.00 56.93 56.42 1vlx s PHE 110 Cb -0.09 -1.46 0.07 0.00 -0.63 0.00 0.00 43.02 40.92 1vlx s PHE 110 CO 0.08 0.10 0.92 -0.59 -0.05 0.00 0.00 175.22 175.68 1vlx s PHE 111 N -0.76 -0.20 -0.17 3.49 -0.12 -0.26 -0.94 117.98 119.02 1vlx s PHE 111 Ca 0.12 -0.08 -0.07 0.00 -0.05 0.00 0.00 56.93 56.85 1vlx s PHE 111 Cb -0.10 0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1vlx s PHE 111 CO 0.01 -0.79 0.06 0.00 -0.05 0.00 0.00 175.22 174.46 1vlx n THR 113 N 3.30 0.00 -1.73 0.00 -2.24 -1.26 -3.12 114.28 109.23 1vlx n THR 113 Ca -0.17 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 60.80 1vlx n THR 113 Cb 0.53 1.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.85 1vlx n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1vlx n PHE 114 N 0.76 2.68 -1.27 4.78 -0.00 -1.26 -4.44 117.46 118.72 1vlx n PHE 114 Ca 0.15 0.29 -0.57 0.00 -0.00 0.00 0.00 57.45 57.33 1vlx n PHE 114 Cb 0.50 -2.57 -0.10 0.00 -0.00 0.00 0.00 39.48 37.31 1vlx n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 1vlx n PRO 115 N 2.15 0.00 -0.93 -7.13 -0.02 -1.26 -1.27 135.00 126.55 1vlx n PRO 115 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1vlx n PRO 115 Cb 0.35 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1vlx n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vlx n GLY 116 N 5.91 0.96 0.11 -1.23 0.00 -1.26 -4.92 105.19 104.76 1vlx n GLY 116 Ca 0.44 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1vlx n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1vlx h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.46 -3.39 115.15 115.78 1vlx h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1vlx h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1vlx h HIS 117 CO 0.00 0.46 0.00 0.66 0.86 0.00 0.00 177.93 179.91 1vlx h SER 118 N 0.00 0.00 0.61 2.45 4.64 -1.73 0.76 113.55 120.28 1vlx h SER 118 Ca -0.10 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1vlx h SER 118 Cb 1.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 1vlx h SER 118 CO 0.04 0.00 -0.47 0.00 -0.87 0.00 0.00 176.83 175.53 1vlx h ALA 119 N 2.05 1.09 0.00 5.18 0.00 -1.90 -3.25 119.26 122.43 1vlx h ALA 119 Ca 0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 54.91 54.22 1vlx h ALA 119 Cb 0.37 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1vlx h ALA 119 CO 0.00 0.59 -2.00 1.28 0.00 0.00 0.00 179.25 179.12 1vlx n LEU 120 N -3.79 0.00 -4.14 0.00 4.77 -0.93 -4.85 117.00 108.07 1vlx n LEU 120 Ca -0.01 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.59 1vlx n LEU 120 Cb 0.52 0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.87 1vlx n LEU 120 CO 0.39 0.36 0.00 -0.04 -1.33 0.00 0.00 177.39 176.77 1vlx s MET 121 N -2.36 2.48 0.17 3.23 -1.94 0.26 -4.78 119.30 116.35 1vlx s MET 121 Ca -0.07 -2.21 -0.24 0.00 -1.71 0.00 0.00 55.69 51.46 1vlx s MET 121 Cb 0.04 -3.78 0.06 0.00 2.01 0.00 0.00 34.83 33.17 1vlx s MET 121 CO 0.60 -1.16 0.74 -1.59 -0.01 0.00 0.00 175.02 173.60 1vlx s LYS 122 N 0.51 1.34 0.21 2.03 0.00 -1.26 -2.26 119.74 120.31 1vlx s LYS 122 Ca 0.13 -0.62 -0.21 0.00 0.00 0.00 0.00 55.97 55.26 1vlx s LYS 122 Cb -0.21 0.53 0.07 0.00 0.00 0.00 0.00 37.83 38.22 1vlx s LYS 122 CO -0.04 -0.60 1.01 0.20 0.00 0.00 0.00 175.35 175.92 1vlx s GLY 123 N -2.78 0.15 0.17 0.59 0.00 -0.12 -4.84 107.32 100.49 1vlx s GLY 123 Ca 0.06 -0.40 0.06 0.00 0.00 0.00 0.00 44.72 44.45 1vlx s GLY 123 CO -0.04 2.14 0.07 -0.51 0.00 0.00 0.00 173.10 174.76 1vlx s THR 124 N -2.18 4.12 -0.04 0.90 -4.23 -0.79 -0.73 115.64 112.69 1vlx s THR 124 Ca 0.21 -1.24 0.01 0.00 -1.18 0.00 0.00 61.69 59.49 1vlx s THR 124 Cb -0.03 -3.08 0.02 0.00 1.34 0.00 0.00 72.50 70.75 1vlx s THR 124 CO 0.06 -0.10 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.79 1vlx s LEU 125 N -3.01 1.30 -0.02 4.79 0.20 -0.87 -0.31 118.68 120.77 1vlx s LEU 125 Ca 0.29 -0.10 0.02 0.00 0.69 0.00 0.00 54.13 55.04 1vlx s LEU 125 Cb -0.10 -0.38 0.00 0.00 -0.43 0.00 0.00 46.19 45.28 1vlx s LEU 125 CO 0.21 -0.06 -0.08 -0.89 -0.29 0.00 0.00 176.35 175.24 1vlx s THR 126 N 0.92 0.66 -0.42 3.68 2.01 -0.18 -3.29 115.64 119.02 1vlx s THR 126 Ca -0.11 -0.31 -0.27 0.00 0.31 0.00 0.00 61.69 61.31 1vlx s THR 126 Cb -0.14 -0.58 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1vlx s THR 126 CO -0.00 0.20 1.00 -0.22 -0.69 0.00 0.00 174.62 174.91 1vlx s LEU 127 N 0.09 3.89 0.00 4.42 1.98 -1.26 -1.06 118.68 126.74 1vlx s LEU 127 Ca -0.01 0.48 0.15 0.00 -2.89 0.00 0.00 54.13 51.86 1vlx s LEU 127 Cb -0.06 -3.36 0.12 0.00 0.66 0.00 0.00 46.19 43.54 1vlx s LEU 127 CO 0.00 -1.02 0.96 2.29 -1.89 0.00 0.00 176.35 176.69