#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vlx n GLU 2 N 0.00 0.00 -0.76 0.00 2.13 -1.26 -3.97 120.64 116.78 1vlx n GLU 2 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1vlx n GLU 2 Cb 0.00 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.08 1vlx n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1vlx s SER 4 N -1.02 -0.37 -0.16 0.00 1.04 -1.25 -1.71 113.70 110.23 1vlx s SER 4 Ca 0.52 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 56.53 1vlx s SER 4 Cb 0.39 0.58 0.05 0.00 0.10 0.00 0.00 66.02 67.13 1vlx s SER 4 CO 0.16 -1.00 0.42 0.54 0.98 0.00 0.00 173.24 174.34 1vlx s VAL 5 N -3.82 -0.01 -0.28 5.02 0.11 0.32 -4.51 120.40 117.24 1vlx s VAL 5 Ca 0.05 0.03 -0.14 0.00 -2.93 0.00 0.00 61.98 58.99 1vlx s VAL 5 Cb -0.01 -0.60 -0.04 0.00 -1.53 0.00 0.00 36.38 34.20 1vlx s VAL 5 CO -0.08 0.01 0.31 -1.81 -3.33 0.00 0.00 175.10 170.20 1vlx s ASP 6 N 0.59 6.17 0.03 3.54 1.01 -1.26 -0.45 116.67 126.30 1vlx s ASP 6 Ca -0.03 0.16 0.07 0.00 0.71 0.00 0.00 52.55 53.46 1vlx s ASP 6 Cb -0.05 -2.18 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1vlx s ASP 6 CO -0.04 -0.14 -0.20 -0.51 0.21 0.00 0.00 175.17 174.49 1vlx s ILE 7 N 1.96 1.63 0.02 0.77 2.07 0.73 -4.96 121.20 123.41 1vlx s ILE 7 Ca 0.12 -1.13 0.06 0.00 -1.41 0.00 0.00 60.65 58.29 1vlx s ILE 7 Cb -0.16 -1.41 -0.02 0.00 0.13 0.00 0.00 42.46 41.00 1vlx s ILE 7 CO 0.10 0.24 -0.19 -1.10 -1.91 0.00 0.00 174.94 172.09 1vlx s GLN 8 N -1.04 1.36 -0.08 3.50 -0.21 -1.26 -1.87 119.66 120.06 1vlx s GLN 8 Ca 0.07 -0.77 0.04 0.00 0.02 0.00 0.00 55.36 54.72 1vlx s GLN 8 Cb -0.09 -1.38 -0.01 0.00 1.00 0.00 0.00 33.01 32.53 1vlx s GLN 8 CO 0.01 0.36 -0.20 0.20 -2.12 0.00 0.00 175.29 173.54 1vlx s GLY 9 N -0.81 1.39 0.00 3.09 0.00 -0.98 -2.04 107.32 107.97 1vlx s GLY 9 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.79 1vlx s GLY 9 CO 0.01 -0.54 0.00 1.16 0.00 0.00 0.00 173.10 173.72 1vlx n ASN 10 N 3.01 0.29 -0.12 1.64 0.23 0.46 -3.40 115.26 117.36 1vlx n ASN 10 Ca -0.18 -0.80 0.15 0.00 -0.53 0.00 0.00 54.58 53.22 1vlx n ASN 10 Cb 0.52 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.92 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 -2.17 0.44 -1.79 0.53 8.00 -1.25 -3.43 116.55 116.88 1vlx n ASP 11 Ca 0.00 -0.75 -0.13 0.00 0.71 0.00 0.00 54.79 54.62 1vlx n ASP 11 Cb 0.00 -0.07 0.21 0.00 -0.02 0.00 0.00 41.12 41.24 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 -0.86 2.37 -3.83 -1.24 6.02 -1.26 -4.92 117.38 113.66 1vlx n GLN 12 Ca 0.17 -3.08 -0.24 0.00 -0.01 0.00 0.00 57.00 53.85 1vlx n GLN 12 Cb 0.24 -2.05 0.01 0.00 1.02 0.00 0.00 30.24 29.46 1vlx n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1vlx n MET 13 N -0.96 -4.27 -3.83 -1.09 0.00 -1.22 -4.99 117.12 100.76 1vlx n MET 13 Ca 0.47 0.53 -0.12 0.00 -0.00 0.00 0.00 57.70 58.57 1vlx n MET 13 Cb 1.39 -4.94 -0.11 0.00 0.00 0.00 0.00 33.22 29.56 1vlx n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1vlx s GLN 14 N -6.27 0.35 0.48 2.12 -0.21 -1.26 -4.36 119.66 110.51 1vlx s GLN 14 Ca 0.06 -0.02 -0.07 0.00 0.02 0.00 0.00 55.36 55.36 1vlx s GLN 14 Cb -0.03 0.16 -0.04 0.00 1.00 0.00 0.00 33.01 34.09 1vlx s GLN 14 CO 0.85 -0.07 0.81 -0.06 -2.12 0.00 0.00 175.29 174.69 1vlx s PHE 15 N -0.55 3.55 -0.97 0.91 0.08 -1.26 -0.40 117.98 119.34 1vlx s PHE 15 Ca -0.06 0.91 0.27 0.00 0.12 0.00 0.00 56.93 58.17 1vlx s PHE 15 Cb -0.04 -2.37 0.97 0.00 -0.57 0.00 0.00 43.02 41.01 1vlx s PHE 15 CO 0.01 -0.29 1.75 0.27 -0.10 0.00 0.00 175.22 176.86 1vlx n ASN 16 N -2.12 0.22 -3.79 1.36 6.94 -0.87 -4.83 115.26 112.18 1vlx n ASN 16 Ca 0.01 0.27 -0.11 0.00 -0.02 0.00 0.00 54.58 54.74 1vlx n ASN 16 Cb 0.55 -0.27 -0.07 0.00 -2.36 0.00 0.00 39.78 37.62 1vlx n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1vlx s THR 17 N -3.01 0.10 -0.06 5.53 -1.32 -1.26 -5.05 115.64 110.56 1vlx s THR 17 Ca 0.13 -0.80 0.09 0.00 -1.21 0.00 0.00 61.69 59.90 1vlx s THR 17 Cb 0.18 -1.01 0.14 0.00 -1.51 0.00 0.00 72.50 70.30 1vlx s THR 17 CO 0.59 -0.44 1.03 0.59 -2.21 0.00 0.00 174.62 174.18 1vlx n ASN 18 N 0.46 1.58 -3.70 8.08 4.13 -1.26 -4.81 115.26 119.73 1vlx n ASN 18 Ca -0.18 -2.44 -0.11 0.00 1.68 0.00 0.00 54.58 53.53 1vlx n ASN 18 Cb 0.60 -0.25 -0.10 0.00 -1.54 0.00 0.00 39.78 38.49 1vlx n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1vlx s ALA 19 N -1.62 -1.21 0.00 5.41 0.00 -1.26 -1.45 121.76 121.63 1vlx s ALA 19 Ca 0.16 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.68 1vlx s ALA 19 Cb 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.33 1vlx s ALA 19 CO 0.01 -0.26 -0.06 0.42 0.00 0.00 0.00 175.76 175.87 1vlx s ILE 20 N 0.86 0.48 -0.09 0.00 1.01 0.34 -4.92 121.20 118.88 1vlx s ILE 20 Ca -0.05 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1vlx s ILE 20 Cb -0.06 -0.43 0.01 0.00 0.01 0.00 0.00 42.46 41.99 1vlx s ILE 20 CO -0.07 0.06 -0.19 -0.89 0.00 0.00 0.00 174.94 173.85 1vlx s THR 21 N -0.31 1.71 -0.29 2.92 2.01 -1.26 -1.46 115.64 118.95 1vlx s THR 21 Ca 0.01 -0.81 -0.07 0.00 0.31 0.00 0.00 61.69 61.13 1vlx s THR 21 Cb -0.03 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.99 1vlx s THR 21 CO -0.00 0.48 0.07 -0.69 -0.69 0.00 0.00 174.62 173.79 1vlx s VAL 22 N 0.49 3.92 0.24 3.82 1.01 1.00 -4.94 120.40 125.93 1vlx s VAL 22 Ca -0.17 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1vlx s VAL 22 Cb -0.17 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.10 1vlx s VAL 22 CO 0.07 0.09 1.31 -0.62 0.00 0.00 0.00 175.10 175.95 1vlx s ASP 23 N 1.49 6.86 0.18 3.32 -1.08 -1.26 -0.36 116.67 125.83 1vlx s ASP 23 Ca 0.02 2.48 0.18 0.00 -0.52 0.00 0.00 52.55 54.72 1vlx s ASP 23 Cb -0.17 -2.62 0.82 0.00 -1.46 0.00 0.00 42.92 39.49 1vlx s ASP 23 CO 0.02 -0.53 1.55 0.29 0.52 0.00 0.00 175.17 177.03 1vlx n LYS 24 N 2.16 0.11 0.00 4.34 5.02 -1.26 -2.22 118.16 126.31 1vlx n LYS 24 Ca 0.05 0.44 0.08 0.00 -2.02 0.00 0.00 58.31 56.86 1vlx n LYS 24 Cb 0.42 -1.76 0.48 0.00 -0.02 0.00 0.00 35.03 34.15 1vlx n LYS 24 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1vlx n SER 25 N -1.99 0.00 -4.85 4.39 3.41 -1.26 -4.77 113.62 108.56 1vlx n SER 25 Ca 0.01 -1.48 -0.38 0.00 -0.26 0.00 0.00 58.87 56.77 1vlx n SER 25 Cb 0.14 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1vlx n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vlx h LYS 27 N 4.72 0.21 -5.43 0.00 1.57 -1.90 -3.42 116.57 112.31 1vlx h LYS 27 Ca -0.52 -0.35 -0.44 0.00 -1.87 0.00 0.00 60.65 57.47 1vlx h LYS 27 Cb 1.22 0.13 -0.14 0.00 0.08 0.00 0.00 32.23 33.52 1vlx h LYS 27 CO 0.61 1.17 -0.71 -0.65 -0.57 0.00 0.00 179.45 179.30 1vlx s GLN 28 N -2.46 1.35 -0.03 3.15 -0.21 -1.26 -0.82 119.66 119.38 1vlx s GLN 28 Ca -0.21 -1.63 0.01 0.00 0.02 0.00 0.00 55.36 53.56 1vlx s GLN 28 Cb 0.04 -1.01 0.01 0.00 1.00 0.00 0.00 33.01 33.06 1vlx s GLN 28 CO 0.74 0.11 -0.05 0.12 -2.12 0.00 0.00 175.29 174.09 1vlx s PHE 29 N -3.08 0.65 -0.12 0.91 5.36 -0.00 -4.83 117.98 116.87 1vlx s PHE 29 Ca 0.24 -0.15 -0.00 0.00 -0.96 0.00 0.00 56.93 56.06 1vlx s PHE 29 Cb 0.01 -0.52 -0.02 0.00 -0.34 0.00 0.00 43.02 42.15 1vlx s PHE 29 CO 0.07 -0.11 -0.12 0.99 -1.46 0.00 0.00 175.22 174.60 1vlx s THR 30 N 0.47 3.17 -0.22 0.12 2.01 -0.69 -1.26 115.64 119.24 1vlx s THR 30 Ca -0.06 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.31 1vlx s THR 30 Cb -0.10 -2.33 0.03 0.00 0.01 0.00 0.00 72.50 70.11 1vlx s THR 30 CO -0.00 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.64 1vlx s VAL 31 N 0.20 2.44 -0.22 3.82 1.01 0.16 -0.52 120.40 127.29 1vlx s VAL 31 Ca -0.07 -1.03 -0.13 0.00 0.00 0.00 0.00 61.98 60.75 1vlx s VAL 31 Cb -0.15 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1vlx s VAL 31 CO 0.05 0.34 0.26 0.20 0.00 0.00 0.00 175.10 175.95 1vlx s ASN 32 N 1.29 6.27 -0.14 3.32 0.01 0.41 -2.35 114.94 123.74 1vlx s ASN 32 Ca 0.01 0.31 0.02 0.00 -0.71 0.00 0.00 52.86 52.49 1vlx s ASN 32 Cb -0.15 -2.16 0.01 0.00 0.41 0.00 0.00 41.25 39.35 1vlx s ASN 32 CO -0.08 0.02 -0.21 -0.22 -1.51 0.00 0.00 177.10 175.10 1vlx s LEU 33 N 1.08 2.18 0.24 0.60 2.96 0.31 -0.19 118.68 125.86 1vlx s LEU 33 Ca 0.13 -0.58 0.11 0.00 -0.22 0.00 0.00 54.13 53.57 1vlx s LEU 33 Cb -0.14 -1.47 -0.05 0.00 0.50 0.00 0.00 46.19 45.04 1vlx s LEU 33 CO 0.05 0.09 -0.19 -0.94 -1.32 0.00 0.00 176.35 174.04 1vlx s SER 34 N 0.78 3.26 -0.59 3.68 1.04 -0.78 -0.53 113.70 120.55 1vlx s SER 34 Ca -0.08 -0.99 0.04 0.00 0.48 0.00 0.00 55.95 55.41 1vlx s SER 34 Cb -0.16 -0.24 0.15 0.00 0.10 0.00 0.00 66.02 65.87 1vlx s SER 34 CO -0.01 -0.00 0.38 -2.28 0.98 0.00 0.00 173.24 172.31 1vlx s HIS 35 N -2.44 3.07 0.66 5.02 2.46 -1.05 -2.33 115.29 120.67 1vlx s HIS 35 Ca 0.26 -3.10 -0.17 0.00 0.47 0.00 0.00 55.06 52.51 1vlx s HIS 35 Cb -0.05 -2.50 -0.00 0.00 -0.13 0.00 0.00 32.58 29.90 1vlx s HIS 35 CO 0.12 -0.66 1.24 -1.25 -2.47 0.00 0.00 174.74 171.72 1vlx s PRO 36 N -0.76 2.54 0.00 2.88 0.04 -1.22 -1.63 135.00 136.85 1vlx s PRO 36 Ca 0.22 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.15 1vlx s PRO 36 Cb -0.13 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1vlx s PRO 36 CO -0.10 -1.56 0.00 0.41 0.04 0.00 0.00 177.00 175.80 1vlx n GLY 37 N 0.61 0.56 0.00 0.56 0.00 -1.26 -3.90 105.19 101.75 1vlx n GLY 37 Ca 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.85 0.02 -4.79 1.61 3.02 -1.26 -4.46 115.26 110.24 1vlx n ASN 38 Ca 0.00 -0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.04 1vlx n ASN 38 Cb 0.00 0.32 -0.04 0.00 -0.61 0.00 0.00 39.78 39.44 1vlx n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vlx s LEU 39 N -0.64 4.01 0.78 3.41 1.43 -1.26 -4.87 118.68 121.55 1vlx s LEU 39 Ca 0.00 1.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.94 1vlx s LEU 39 Cb 0.00 -4.36 0.06 0.00 0.03 0.00 0.00 46.19 41.91 1vlx s LEU 39 CO 0.00 -0.57 1.09 -2.16 0.23 0.00 0.00 176.35 174.94 1vlx s PRO 40 N -2.84 2.23 0.29 1.29 0.04 -1.26 -2.16 135.00 132.59 1vlx s PRO 40 Ca 0.62 0.72 -0.02 0.00 0.04 0.00 0.00 61.00 62.35 1vlx s PRO 40 Cb -0.18 -1.93 0.44 0.00 0.04 0.00 0.00 34.50 32.87 1vlx s PRO 40 CO 0.23 -1.54 1.95 -0.22 0.04 0.00 0.00 177.00 177.46 1vlx h LYS 41 N -1.03 1.10 0.00 4.56 3.64 -1.86 0.64 116.57 123.61 1vlx h LYS 41 Ca -0.46 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 1vlx h LYS 41 Cb 1.26 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1vlx h LYS 41 CO 0.58 0.73 0.00 -2.95 -2.27 0.00 0.00 179.45 175.54 1vlx h ASN 42 N 1.13 0.00 0.00 4.20 7.08 -1.94 -1.57 115.58 124.49 1vlx h ASN 42 Ca 0.34 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 53.28 1vlx h ASN 42 Cb -0.04 0.00 -0.05 0.00 -2.08 0.00 0.00 38.32 36.15 1vlx h ASN 42 CO -0.09 0.00 -2.04 0.52 -2.08 0.00 0.00 177.43 173.74 1vlx n VAL 43 N -2.51 1.04 -2.69 6.14 0.31 -0.61 -4.84 118.33 115.18 1vlx n VAL 43 Ca 0.02 -0.42 -0.08 0.00 -0.01 0.00 0.00 64.34 63.85 1vlx n VAL 43 Cb 0.28 -1.10 0.05 0.00 -0.91 0.00 0.00 33.84 32.17 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 -2.98 1.22 -1.58 5.55 1.56 0.12 -5.01 117.12 115.98 1vlx n MET 44 Ca -0.32 -2.95 -0.33 0.00 -0.27 0.00 0.00 57.70 53.84 1vlx n MET 44 Cb 0.86 -1.00 0.07 0.00 2.15 0.00 0.00 33.22 35.29 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 -2.77 2.11 -0.03 -5.12 0.00 -0.59 -4.79 107.32 96.13 1vlx s GLY 45 Ca 0.26 0.57 -0.01 0.00 0.00 0.00 0.00 44.72 45.54 1vlx s GLY 45 CO 0.00 0.94 0.05 0.30 0.00 0.00 0.00 173.10 174.39 1vlx s HIS 46 N -2.36 -0.03 0.40 1.90 3.76 -0.22 -4.71 115.29 114.03 1vlx s HIS 46 Ca 0.68 0.18 0.07 0.00 -0.15 0.00 0.00 55.06 55.83 1vlx s HIS 46 Cb -0.22 -0.12 -0.08 0.00 1.11 0.00 0.00 32.58 33.27 1vlx s HIS 46 CO 0.45 -0.08 0.00 0.54 -0.85 0.00 0.00 174.74 174.80 1vlx s ASN 47 N 0.72 3.75 -0.14 1.40 2.20 -1.26 0.50 114.94 122.11 1vlx s ASN 47 Ca -0.06 -1.36 -0.00 0.00 -0.94 0.00 0.00 52.86 50.50 1vlx s ASN 47 Cb -0.08 -0.37 0.03 0.00 -2.00 0.00 0.00 41.25 38.83 1vlx s ASN 47 CO -0.02 -0.44 -0.07 0.86 -2.94 0.00 0.00 177.10 174.48 1vlx s TRP 48 N -2.74 1.70 -0.06 1.54 -0.00 -1.26 -4.09 118.94 114.03 1vlx s TRP 48 Ca 0.35 -0.98 0.04 0.00 -0.00 0.00 0.00 56.10 55.51 1vlx s TRP 48 Cb 0.09 -1.33 -0.00 0.00 -0.00 0.00 0.00 33.47 32.23 1vlx s TRP 48 CO 0.18 -0.59 -0.19 0.08 -0.00 0.00 0.00 176.95 176.43 1vlx s VAL 49 N 1.64 1.60 -0.08 5.86 1.01 0.73 -1.04 120.40 130.12 1vlx s VAL 49 Ca 0.03 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1vlx s VAL 49 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1vlx s VAL 49 CO -0.08 0.46 -0.10 -0.22 0.00 0.00 0.00 175.10 175.15 1vlx s LEU 50 N 0.11 2.95 0.18 3.92 2.96 -0.24 -1.15 118.68 127.42 1vlx s LEU 50 Ca -0.07 -0.14 -0.24 0.00 -0.22 0.00 0.00 54.13 53.45 1vlx s LEU 50 Cb -0.13 -1.64 0.05 0.00 0.50 0.00 0.00 46.19 44.97 1vlx s LEU 50 CO 0.04 0.30 0.91 -0.94 -1.32 0.00 0.00 176.35 175.34 1vlx s SER 51 N -0.46 -0.19 0.80 3.68 1.04 -0.88 -1.26 113.70 116.44 1vlx s SER 51 Ca 0.06 -0.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.92 1vlx s SER 51 Cb -0.12 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.62 1vlx s SER 51 CO 0.02 -1.00 1.13 0.42 0.98 0.00 0.00 173.24 174.79 1vlx s THR 52 N -3.39 2.75 0.27 2.02 -4.23 -1.26 -0.35 115.64 111.45 1vlx s THR 52 Ca 0.12 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 60.87 1vlx s THR 52 Cb -0.02 -2.62 0.21 0.00 1.34 0.00 0.00 72.50 71.41 1vlx s THR 52 CO 0.03 -0.29 1.89 0.00 -0.54 0.00 0.00 174.62 175.71 1vlx h ALA 53 N -1.13 1.26 0.00 3.99 0.00 -0.28 -1.93 119.26 121.18 1vlx h ALA 53 Ca -0.44 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1vlx h ALA 53 Cb 1.25 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1vlx h ALA 53 CO 0.48 0.59 -0.08 0.00 0.00 0.00 0.00 179.25 180.24 1vlx h ALA 54 N 1.36 1.76 -0.01 0.00 0.00 -1.91 -2.94 119.26 117.53 1vlx h ALA 54 Ca 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vlx h ALA 54 Cb 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1vlx h ALA 54 CO -0.04 0.10 -0.59 -0.25 0.00 0.00 0.00 179.25 178.47 1vlx n ASP 55 N -4.28 1.13 0.03 0.00 8.00 -0.75 -4.54 116.55 116.14 1vlx n ASP 55 Ca -0.03 -0.92 -0.10 0.00 0.71 0.00 0.00 54.79 54.45 1vlx n ASP 55 Cb 0.16 0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 41.72 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 0.86 -0.22 -0.72 -1.24 4.05 -1.30 -1.83 114.93 114.53 1vlx h MET 56 Ca 0.00 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.51 1vlx h MET 56 Cb 0.56 0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.37 1vlx h MET 56 CO 0.00 -0.15 0.47 0.37 0.23 0.00 0.00 176.91 177.83 1vlx h GLN 57 N -0.23 0.67 -0.31 0.39 5.75 -1.80 0.05 115.11 119.63 1vlx h GLN 57 Ca 0.07 -0.04 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 1vlx h GLN 57 Cb 0.33 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1vlx h GLN 57 CO -0.20 0.45 -0.26 0.78 -2.65 0.00 0.00 178.83 176.95 1vlx h GLY 58 N 0.69 0.80 0.94 2.39 0.00 -1.73 -1.11 103.07 105.05 1vlx h GLY 58 Ca 0.32 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1vlx h GLY 58 CO -0.11 0.71 0.15 -2.08 0.00 0.00 0.00 176.54 175.22 1vlx h VAL 59 N 0.49 1.19 -0.63 4.60 2.07 -0.98 -1.29 116.25 121.70 1vlx h VAL 59 Ca 0.06 -0.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 1vlx h VAL 59 Cb 0.83 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1vlx h VAL 59 CO 0.07 0.21 0.17 0.58 0.02 0.00 0.00 177.57 178.62 1vlx h VAL 60 N 0.47 1.25 -0.19 2.57 2.07 -0.87 -0.44 116.25 121.11 1vlx h VAL 60 Ca 0.13 -0.89 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 1vlx h VAL 60 Cb 0.18 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1vlx h VAL 60 CO -0.01 0.34 -0.23 0.74 0.02 0.00 0.00 177.57 178.42 1vlx h THR 61 N 0.91 1.34 0.00 2.57 2.02 -1.17 -1.27 112.91 117.31 1vlx h THR 61 Ca 0.20 -1.43 -0.08 0.00 0.77 0.00 0.00 66.41 65.87 1vlx h THR 61 Cb 0.33 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1vlx h THR 61 CO -0.00 0.43 -0.38 0.44 0.37 0.00 0.00 175.52 176.38 1vlx h ASP 62 N 0.15 0.00 -0.05 4.18 3.32 -1.24 -2.77 116.42 120.00 1vlx h ASP 62 Ca 0.02 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1vlx h ASP 62 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 1vlx h ASP 62 CO 0.06 0.38 -0.32 1.23 -1.72 0.00 0.00 179.24 178.86 1vlx h GLY 63 N 1.93 0.34 0.04 2.75 0.00 -0.96 -2.94 103.07 104.23 1vlx h GLY 63 Ca -0.00 -0.49 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1vlx h GLY 63 CO 0.05 0.44 -0.41 1.98 0.00 0.00 0.00 176.54 178.60 1vlx h MET 64 N -0.22 -0.47 -0.88 4.80 1.85 -1.15 -0.55 114.93 118.31 1vlx h MET 64 Ca -0.02 0.03 0.24 0.00 -0.61 0.00 0.00 59.70 59.34 1vlx h MET 64 Cb 0.99 0.11 -0.04 0.00 0.43 0.00 0.00 31.60 33.08 1vlx h MET 64 CO 0.07 -0.31 0.62 0.00 -0.40 0.00 0.00 176.91 176.88 1vlx h ALA 65 N 0.15 2.69 0.00 0.39 0.00 -1.55 -2.02 119.26 118.92 1vlx h ALA 65 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1vlx h ALA 65 Cb 0.62 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1vlx h ALA 65 CO -0.39 -0.95 0.00 0.77 0.00 0.00 0.00 179.25 178.68 1vlx h SER 66 N 0.09 0.00 -3.94 0.00 0.02 -0.90 -3.50 113.55 105.32 1vlx h SER 66 Ca 0.43 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.42 1vlx h SER 66 Cb 1.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 64.09 1vlx h SER 66 CO -0.05 0.00 -0.13 0.61 -1.14 0.00 0.00 176.83 176.13 1vlx n GLY 67 N 0.08 -2.29 0.37 -3.77 0.00 -0.76 -4.01 105.19 94.81 1vlx n GLY 67 Ca 0.02 -1.43 0.10 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.17 0.80 -2.12 0.99 5.85 -1.93 -1.34 115.31 117.40 1vlx h LEU 68 Ca -0.02 0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1vlx h LEU 68 Cb 0.17 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1vlx h LEU 68 CO 0.01 0.41 0.27 0.44 -0.34 0.00 0.00 178.44 179.22 1vlx h ASP 69 N 0.85 0.00 -0.43 1.25 5.19 -2.02 -1.68 116.42 119.58 1vlx h ASP 69 Ca 0.49 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.90 1vlx h ASP 69 Cb 0.63 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1vlx h ASP 69 CO -0.25 0.00 0.00 0.29 -3.12 0.00 0.00 179.24 176.16 1vlx n LYS 70 N -3.97 3.55 -2.97 3.56 4.76 -0.53 -4.94 118.16 117.63 1vlx n LYS 70 Ca 0.04 -2.82 -0.21 0.00 -2.87 0.00 0.00 58.31 52.45 1vlx n LYS 70 Cb 0.42 -1.87 0.02 0.00 -1.84 0.00 0.00 35.03 31.75 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 0.26 -5.24 -4.04 4.39 9.92 -0.63 -1.26 116.55 119.94 1vlx n ASP 71 Ca 0.22 -0.23 -0.33 0.00 -0.53 0.00 0.00 54.79 53.93 1vlx n ASP 71 Cb 0.90 -4.29 -0.00 0.00 -0.64 0.00 0.00 41.12 37.09 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 -4.18 -2.01 -3.92 1.24 4.01 -1.06 -4.71 117.16 106.53 1vlx n TYR 72 Ca -0.11 0.83 -0.15 0.00 -0.16 0.00 0.00 57.90 58.31 1vlx n TYR 72 Cb 0.61 -3.41 -0.15 0.00 -0.31 0.00 0.00 39.34 36.07 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 -7.24 1.48 0.04 7.72 1.43 -0.39 -4.24 118.68 117.48 1vlx s LEU 73 Ca 0.70 -0.02 -0.31 0.00 -1.03 0.00 0.00 54.13 53.47 1vlx s LEU 73 Cb -0.37 -0.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.65 1vlx s LEU 73 CO 0.86 -0.06 1.31 -0.75 0.23 0.00 0.00 176.35 177.95 1vlx s LYS 74 N 0.60 4.35 0.02 1.70 2.20 -1.26 -4.82 119.74 122.53 1vlx s LYS 74 Ca -0.06 1.90 -0.36 0.00 -0.36 0.00 0.00 55.97 57.09 1vlx s LYS 74 Cb -0.08 -3.41 -0.15 0.00 -1.51 0.00 0.00 37.83 32.67 1vlx s LYS 74 CO -0.01 -0.42 1.54 -2.30 -0.36 0.00 0.00 175.35 173.79 1vlx n PRO 75 N 4.51 1.53 -3.24 4.03 -0.02 -1.26 -2.16 135.00 138.39 1vlx n PRO 75 Ca 0.11 0.55 -0.23 0.00 -2.02 0.00 0.00 63.50 61.91 1vlx n PRO 75 Cb 0.44 -2.26 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 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 3.76 -5.45 -4.66 2.55 9.92 -1.26 -4.91 116.55 116.50 1vlx n ASP 76 Ca 0.20 -0.38 -0.42 0.00 -0.53 0.00 0.00 54.79 53.66 1vlx n ASP 76 Cb 0.22 -4.40 -0.03 0.00 -0.64 0.00 0.00 41.12 36.27 1vlx n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1vlx s ASP 77 N -2.81 6.55 0.00 -2.24 -1.08 -0.92 -4.87 116.67 111.29 1vlx s ASP 77 Ca 0.39 2.28 0.28 0.00 -0.52 0.00 0.00 52.55 54.97 1vlx s ASP 77 Cb -0.18 -2.53 1.42 0.00 -1.46 0.00 0.00 42.92 40.17 1vlx s ASP 77 CO 0.48 -1.02 1.96 -1.54 0.52 0.00 0.00 175.17 175.57 1vlx n SER 78 N 7.50 0.00 0.19 -0.34 3.41 -1.26 -2.99 113.62 120.13 1vlx n SER 78 Ca 0.18 -0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 1vlx n SER 78 Cb 0.43 -0.27 0.17 0.00 -0.26 0.00 0.00 64.21 64.28 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 -5.87 4.33 3.08 -1.97 -3.44 114.38 110.51 1vlx h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1vlx h ARG 79 Cb 0.25 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.18 1vlx h ARG 79 CO 0.00 0.22 0.42 0.08 -1.07 0.00 0.00 179.97 179.62 1vlx s VAL 80 N -3.18 4.66 0.10 2.04 1.01 -1.16 -4.50 120.40 119.37 1vlx s VAL 80 Ca 0.05 0.77 -0.16 0.00 0.00 0.00 0.00 61.98 62.63 1vlx s VAL 80 Cb 0.07 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 1vlx s VAL 80 CO 0.69 -0.58 1.51 0.40 0.00 0.00 0.00 175.10 177.12 1vlx h ILE 81 N 5.87 1.27 -2.87 2.22 2.04 -1.48 -3.47 117.51 121.10 1vlx h ILE 81 Ca -0.24 -1.08 0.02 0.00 1.00 0.00 0.00 64.86 64.56 1vlx h ILE 81 Cb 1.09 1.32 -0.11 0.00 -0.74 0.00 0.00 36.82 38.37 1vlx h ILE 81 CO 0.95 0.35 0.27 0.00 0.00 0.00 0.00 178.15 179.72 1vlx s ALA 82 N -4.83 -1.57 -0.09 1.87 0.00 -1.23 -5.02 121.76 110.89 1vlx s ALA 82 Ca -0.13 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 51.94 1vlx s ALA 82 Cb 0.09 0.80 0.11 0.00 0.00 0.00 0.00 23.12 24.12 1vlx s ALA 82 CO 0.78 -0.82 0.90 -3.38 0.00 0.00 0.00 175.76 173.25 1vlx s HIS 83 N -3.67 -0.42 0.57 0.00 -3.43 -1.26 -1.08 115.29 106.01 1vlx s HIS 83 Ca 0.04 0.59 0.04 0.00 -0.80 0.00 0.00 55.06 54.93 1vlx s HIS 83 Cb -0.02 0.47 0.06 0.00 -1.43 0.00 0.00 32.58 31.67 1vlx s HIS 83 CO -0.08 -0.46 0.78 0.95 -2.00 0.00 0.00 174.74 173.94 1vlx s THR 84 N -1.76 2.49 0.96 -5.38 -4.23 -0.20 -4.90 115.64 102.62 1vlx s THR 84 Ca -0.01 -0.80 -0.13 0.00 -1.18 0.00 0.00 61.69 59.56 1vlx s THR 84 Cb -0.01 -2.69 0.17 0.00 1.34 0.00 0.00 72.50 71.32 1vlx s THR 84 CO -0.00 0.00 1.12 -0.54 -0.54 0.00 0.00 174.62 174.66 1vlx s LYS 85 N -4.74 0.71 -0.12 3.99 1.02 -1.26 -4.50 119.74 114.83 1vlx s LYS 85 Ca 0.60 0.33 -0.21 0.00 0.02 0.00 0.00 55.97 56.71 1vlx s LYS 85 Cb -0.08 -1.79 -0.03 0.00 -0.52 0.00 0.00 37.83 35.41 1vlx s LYS 85 CO 0.39 -2.50 0.62 -1.17 -0.92 0.00 0.00 175.35 171.77 1vlx s LEU 86 N -6.25 4.25 0.20 3.17 2.96 -1.26 -4.33 118.68 117.42 1vlx s LEU 86 Ca 0.65 0.98 0.11 0.00 -0.22 0.00 0.00 54.13 55.65 1vlx s LEU 86 Cb -0.16 -2.92 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 1vlx s LEU 86 CO 0.55 -0.14 -0.19 0.27 -1.32 0.00 0.00 176.35 175.52 1vlx s ILE 87 N 1.12 2.62 0.59 6.68 -4.36 0.18 -4.88 121.20 123.15 1vlx s ILE 87 Ca 0.32 -1.98 0.10 0.00 -0.26 0.00 0.00 60.65 58.83 1vlx s ILE 87 Cb -0.16 -2.28 0.09 0.00 1.25 0.00 0.00 42.46 41.36 1vlx s ILE 87 CO 0.13 -0.16 0.80 -0.83 0.24 0.00 0.00 174.94 175.13 1vlx s GLY 88 N -2.84 1.74 0.40 6.27 0.00 -1.26 -1.06 107.32 110.57 1vlx s GLY 88 Ca 0.23 -2.15 -0.26 0.00 0.00 0.00 0.00 44.72 42.54 1vlx s GLY 88 CO 0.12 -1.73 1.28 -1.35 0.00 0.00 0.00 173.10 171.42 1vlx s SER 89 N -4.68 6.38 -0.20 1.64 1.04 -0.92 -2.14 113.70 114.81 1vlx s SER 89 Ca 0.61 2.60 0.00 0.00 0.48 0.00 0.00 55.95 59.64 1vlx s SER 89 Cb -0.05 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1vlx s SER 89 CO 0.39 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1vlx n GLY 90 N 0.68 0.53 3.66 7.32 0.00 -0.64 -4.98 105.19 111.76 1vlx n GLY 90 Ca 0.03 -0.33 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.23 2.10 0.09 1.61 2.02 -0.91 -4.98 118.70 117.40 1vlx s GLU 91 Ca 0.00 -1.86 -0.16 0.00 0.02 0.00 0.00 54.97 52.96 1vlx s GLU 91 Cb 0.00 -1.88 0.03 0.00 0.10 0.00 0.00 34.13 32.38 1vlx s GLU 91 CO 0.00 0.01 0.39 -1.59 0.02 0.00 0.00 175.26 174.09 1vlx s LYS 92 N -3.78 0.99 0.20 1.61 -2.85 -1.26 -2.52 119.74 112.13 1vlx s LYS 92 Ca 0.37 -0.58 -0.07 0.00 -1.00 0.00 0.00 55.97 54.68 1vlx s LYS 92 Cb 0.03 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.22 1vlx s LYS 92 CO 0.20 -0.36 0.28 0.34 0.10 0.00 0.00 175.35 175.90 1vlx s ASP 93 N -2.48 0.05 -0.01 0.03 2.15 0.31 -5.00 116.67 111.72 1vlx s ASP 93 Ca -0.00 -1.08 -0.15 0.00 0.43 0.00 0.00 52.55 51.75 1vlx s ASP 93 Cb 0.01 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.11 1vlx s ASP 93 CO -0.08 -0.94 0.31 -0.55 -0.17 0.00 0.00 175.17 173.74 1vlx s SER 94 N -3.05 -0.19 -0.16 -0.34 0.15 -1.26 -0.53 113.70 108.32 1vlx s SER 94 Ca 0.26 0.08 -0.18 0.00 0.70 0.00 0.00 55.95 56.81 1vlx s SER 94 Cb 0.04 0.31 0.05 0.00 -1.71 0.00 0.00 66.02 64.70 1vlx s SER 94 CO 0.07 -0.45 0.50 0.54 1.20 0.00 0.00 173.24 175.09 1vlx s VAL 95 N -1.35 0.01 0.01 4.45 0.11 -0.99 -4.94 120.40 117.68 1vlx s VAL 95 Ca -0.13 -0.05 0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1vlx s VAL 95 Cb -0.05 -0.71 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 1vlx s VAL 95 CO 0.04 -0.03 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.72 1vlx s THR 96 N 0.01 1.40 0.03 5.04 2.01 -1.26 -0.66 115.64 122.19 1vlx s THR 96 Ca -0.02 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.10 1vlx s THR 96 Cb -0.03 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1vlx s THR 96 CO 0.02 0.29 -0.04 0.72 -0.69 0.00 0.00 174.62 174.91 1vlx s PHE 97 N -0.56 0.35 0.04 4.92 -0.71 -0.39 -4.96 117.98 116.67 1vlx s PHE 97 Ca 0.06 -0.58 -0.30 0.00 -1.04 0.00 0.00 56.93 55.07 1vlx s PHE 97 Cb -0.07 -0.24 -0.05 0.00 -1.21 0.00 0.00 43.02 41.44 1vlx s PHE 97 CO 0.00 -0.19 1.20 0.34 -1.34 0.00 0.00 175.22 175.23 1vlx s ASP 98 N -1.62 7.08 0.17 1.98 -1.08 -1.26 -0.82 116.67 121.12 1vlx s ASP 98 Ca -0.13 1.98 0.17 0.00 -0.52 0.00 0.00 52.55 54.05 1vlx s ASP 98 Cb -0.08 -2.57 0.77 0.00 -1.46 0.00 0.00 42.92 39.57 1vlx s ASP 98 CO -0.02 -0.49 1.51 0.52 0.52 0.00 0.00 175.17 177.22 1vlx n VAL 99 N 4.05 1.15 0.57 1.11 0.31 -0.00 -1.86 118.33 123.65 1vlx n VAL 99 Ca 0.09 0.43 0.11 0.00 -0.01 0.00 0.00 64.34 64.96 1vlx n VAL 99 Cb 0.46 -1.35 0.44 0.00 -0.91 0.00 0.00 33.84 32.48 1vlx n VAL 99 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1vlx n SER 100 N -1.95 0.36 -0.06 4.52 7.64 -1.26 -2.25 113.62 120.62 1vlx n SER 100 Ca 0.01 0.57 0.14 0.00 1.01 0.00 0.00 58.87 60.60 1vlx n SER 100 Cb 0.12 -0.65 0.82 0.00 -1.01 0.00 0.00 64.21 63.49 1vlx n SER 100 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1vlx n LYS 101 N -1.87 1.08 -4.57 1.43 5.02 -0.78 -4.80 118.16 113.67 1vlx n LYS 101 Ca 0.04 -0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 55.92 1vlx n LYS 101 Cb 0.26 -1.46 -0.13 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.91 2.33 0.03 -0.35 1.43 -0.96 -5.09 118.68 114.17 1vlx s LEU 102 Ca 0.43 -0.66 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1vlx s LEU 102 Cb 0.20 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1vlx s LEU 102 CO 0.33 0.21 -0.23 -1.59 0.23 0.00 0.00 176.35 175.31 1vlx s LYS 103 N -1.75 1.60 0.48 1.70 -2.85 -1.26 -5.04 119.74 112.62 1vlx s LYS 103 Ca 0.14 -0.96 -0.23 0.00 -1.00 0.00 0.00 55.97 53.92 1vlx s LYS 103 Cb -0.10 -1.69 -0.07 0.00 -2.06 0.00 0.00 37.83 33.91 1vlx s LYS 103 CO 0.05 0.44 1.23 -1.83 0.10 0.00 0.00 175.35 175.34 1vlx s GLU 104 N -1.05 3.59 0.00 1.78 -1.05 -1.26 -2.80 118.70 117.91 1vlx s GLU 104 Ca 0.09 1.93 0.00 0.00 -0.15 0.00 0.00 54.97 56.84 1vlx s GLU 104 Cb -0.09 -2.38 0.00 0.00 -0.44 0.00 0.00 34.13 31.22 1vlx s GLU 104 CO 0.01 -0.74 0.00 0.41 0.95 0.00 0.00 175.26 175.90 1vlx n GLY 105 N 0.54 0.70 3.38 -3.83 0.00 -1.26 -5.05 105.19 99.67 1vlx n GLY 105 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.29 2.66 -0.36 1.61 2.12 -1.12 -5.09 118.70 118.23 1vlx s GLU 106 Ca 0.00 -0.77 -0.25 0.00 0.36 0.00 0.00 54.97 54.31 1vlx s GLU 106 Cb 0.00 -2.34 0.01 0.00 0.26 0.00 0.00 34.13 32.06 1vlx s GLU 106 CO 0.00 0.47 0.87 -0.65 -0.54 0.00 0.00 175.26 175.40 1vlx s GLN 107 N -0.34 3.83 0.07 4.30 -0.21 -1.26 -4.87 119.66 121.17 1vlx s GLN 107 Ca 0.02 0.50 0.04 0.00 0.02 0.00 0.00 55.36 55.95 1vlx s GLN 107 Cb -0.13 -3.80 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 1vlx s GLN 107 CO 0.02 -0.89 -0.01 0.71 -2.12 0.00 0.00 175.29 173.00 1vlx s TYR 108 N 3.30 2.97 -0.00 0.91 2.02 -1.24 0.46 117.35 125.77 1vlx s TYR 108 Ca 0.35 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 57.08 1vlx s TYR 108 Cb -0.13 -1.56 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 1vlx s TYR 108 CO 0.17 0.46 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.83 1vlx s MET 109 N -2.08 1.12 0.10 -0.62 -1.94 0.53 -1.83 119.30 114.57 1vlx s MET 109 Ca 0.23 -0.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.72 1vlx s MET 109 Cb -0.12 -1.09 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 1vlx s MET 109 CO 0.15 0.29 -0.01 -0.59 -0.01 0.00 0.00 175.02 174.86 1vlx s PHE 110 N -0.41 2.95 0.09 -0.03 -0.12 -0.26 -2.06 117.98 118.14 1vlx s PHE 110 Ca 0.05 -0.05 -0.26 0.00 -0.05 0.00 0.00 56.93 56.62 1vlx s PHE 110 Cb -0.06 -1.51 0.09 0.00 -0.63 0.00 0.00 43.02 40.90 1vlx s PHE 110 CO -0.00 0.48 1.12 -0.59 -0.05 0.00 0.00 175.22 176.18 1vlx s PHE 111 N -1.33 -0.01 -0.14 3.49 -0.12 -0.30 -1.46 117.98 118.12 1vlx s PHE 111 Ca 0.25 -0.25 -0.01 0.00 -0.05 0.00 0.00 56.93 56.87 1vlx s PHE 111 Cb -0.11 0.63 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1vlx s PHE 111 CO 0.18 -0.63 -0.10 0.00 -0.05 0.00 0.00 175.22 174.62 1vlx n THR 113 N 3.57 0.07 -1.87 0.00 -2.24 -1.26 -3.27 114.28 109.29 1vlx n THR 113 Ca -0.18 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 60.88 1vlx n THR 113 Cb 0.53 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 1vlx n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1vlx s PHE 114 N -1.93 2.15 -0.15 4.78 2.19 -1.26 -4.43 117.98 119.33 1vlx s PHE 114 Ca 0.36 0.13 -0.20 0.00 0.33 0.00 0.00 56.93 57.55 1vlx s PHE 114 Cb 0.20 -4.03 -0.09 0.00 -1.31 0.00 0.00 43.02 37.79 1vlx s PHE 114 CO 0.31 -4.27 0.64 -2.30 1.83 0.00 0.00 175.22 171.43 1vlx n PRO 115 N 6.09 0.00 0.00 10.12 -0.02 -1.26 -0.82 135.00 149.11 1vlx n PRO 115 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1vlx n PRO 115 Cb 0.40 -0.67 0.00 0.00 -0.02 0.00 0.00 33.50 33.21 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 1.42 3.01 0.30 -1.23 0.00 -1.26 -4.87 105.19 102.55 1vlx n GLY 116 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 1.10 0.00 1.61 3.86 -1.24 -3.12 115.15 117.36 1vlx h HIS 117 Ca 0.00 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1vlx h HIS 117 Cb 0.00 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.17 1vlx h HIS 117 CO 0.00 0.94 0.05 0.66 0.86 0.00 0.00 177.93 180.44 1vlx h SER 118 N 0.95 0.00 -0.41 2.45 4.64 -1.74 -0.11 113.55 119.33 1vlx h SER 118 Ca 0.19 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.52 1vlx h SER 118 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1vlx h SER 118 CO 0.01 0.00 0.27 0.00 -0.87 0.00 0.00 176.83 176.24 1vlx h ALA 119 N 1.88 1.72 0.00 5.18 0.00 -1.90 -3.32 119.26 122.83 1vlx h ALA 119 Ca 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1vlx h ALA 119 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1vlx h ALA 119 CO 0.00 0.26 -1.26 1.28 0.00 0.00 0.00 179.25 179.53 1vlx n LEU 120 N -4.48 1.39 -4.39 0.00 4.77 -0.73 -4.90 117.00 108.66 1vlx n LEU 120 Ca 0.03 -0.01 -0.45 0.00 -0.03 0.00 0.00 56.01 55.55 1vlx n LEU 120 Cb 0.07 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1vlx n LEU 120 CO 0.35 0.32 0.77 -0.04 -1.33 0.00 0.00 177.39 177.46 1vlx s MET 121 N -2.09 3.67 0.16 3.23 -1.94 -0.13 -4.79 119.30 117.41 1vlx s MET 121 Ca -0.04 -2.20 -0.25 0.00 -1.71 0.00 0.00 55.69 51.49 1vlx s MET 121 Cb 0.01 -4.70 0.06 0.00 2.01 0.00 0.00 34.83 32.21 1vlx s MET 121 CO 0.13 -1.54 0.91 -1.59 -0.01 0.00 0.00 175.02 172.93 1vlx s LYS 122 N 1.31 1.25 0.10 2.03 -2.85 -1.26 -2.56 119.74 117.76 1vlx s LYS 122 Ca 0.27 -0.67 -0.26 0.00 -1.00 0.00 0.00 55.97 54.31 1vlx s LYS 122 Cb -0.07 0.44 0.09 0.00 -2.06 0.00 0.00 37.83 36.22 1vlx s LYS 122 CO -0.09 -0.57 1.12 0.20 0.10 0.00 0.00 175.35 176.11 1vlx s GLY 123 N -2.90 -0.11 0.12 0.59 0.00 -0.53 -4.63 107.32 99.86 1vlx s GLY 123 Ca 0.11 0.04 -0.05 0.00 0.00 0.00 0.00 44.72 44.82 1vlx s GLY 123 CO 0.02 2.03 0.36 -0.51 0.00 0.00 0.00 173.10 175.00 1vlx s THR 124 N -2.43 5.18 -0.08 0.90 -4.23 -0.53 -1.10 115.64 113.35 1vlx s THR 124 Ca 0.20 0.06 0.02 0.00 -1.18 0.00 0.00 61.69 60.79 1vlx s THR 124 Cb -0.00 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.23 1vlx s THR 124 CO 0.02 0.09 -0.14 -0.22 -0.54 0.00 0.00 174.62 173.83 1vlx s LEU 125 N -2.51 1.67 0.05 4.79 0.20 -0.76 -0.51 118.68 121.61 1vlx s LEU 125 Ca 0.39 -0.35 0.05 0.00 0.69 0.00 0.00 54.13 54.92 1vlx s LEU 125 Cb -0.12 -0.93 -0.03 0.00 -0.43 0.00 0.00 46.19 44.68 1vlx s LEU 125 CO 0.23 0.03 -0.15 0.28 -0.29 0.00 0.00 176.35 176.46 1vlx s THR 126 N 0.77 1.18 -0.57 3.68 -1.32 -0.53 -3.68 115.64 115.17 1vlx s THR 126 Ca -0.12 -1.15 -0.20 0.00 -1.21 0.00 0.00 61.69 59.01 1vlx s THR 126 Cb -0.16 -1.09 0.08 0.00 -1.51 0.00 0.00 72.50 69.82 1vlx s THR 126 CO 0.02 -0.07 0.75 -0.22 -2.21 0.00 0.00 174.62 172.89 1vlx s LEU 127 N -1.40 4.96 0.00 9.08 0.20 -1.26 -0.00 118.68 130.26 1vlx s LEU 127 Ca 0.01 -1.09 0.00 0.00 0.69 0.00 0.00 54.13 53.74 1vlx s LEU 127 Cb -0.09 -2.41 0.00 0.00 -0.43 0.00 0.00 46.19 43.26 1vlx s LEU 127 CO 0.02 -1.11 0.23 0.29 -0.29 0.00 0.00 176.35 175.48