#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 -1.69 0.00 4.07 -1.26 -4.14 120.64 117.62 1vlx n GLU 2 Ca 0.00 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 56.83 1vlx n GLU 2 Cb 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 31.44 31.43 1vlx n GLU 2 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1vlx s SER 4 N -2.86 -0.38 -0.13 0.00 1.04 -1.26 -0.92 113.70 109.18 1vlx s SER 4 Ca 0.56 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.94 1vlx s SER 4 Cb 0.45 0.48 0.04 0.00 0.10 0.00 0.00 66.02 67.09 1vlx s SER 4 CO 0.02 -0.74 0.34 0.54 0.98 0.00 0.00 173.24 174.38 1vlx s VAL 5 N -2.71 -0.01 -0.26 5.02 0.11 -0.20 -4.93 120.40 117.43 1vlx s VAL 5 Ca -0.04 0.04 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1vlx s VAL 5 Cb -0.00 -0.48 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 1vlx s VAL 5 CO -0.04 0.01 0.19 -1.81 -3.33 0.00 0.00 175.10 170.13 1vlx s ASP 6 N 0.53 6.09 -0.06 3.54 1.11 -1.26 -1.15 116.67 125.48 1vlx s ASP 6 Ca -0.03 0.08 0.06 0.00 0.18 0.00 0.00 52.55 52.84 1vlx s ASP 6 Cb -0.04 -2.12 -0.01 0.00 1.07 0.00 0.00 42.92 41.81 1vlx s ASP 6 CO -0.03 -0.00 -0.24 -0.63 1.18 0.00 0.00 175.17 175.45 1vlx s ILE 7 N 1.41 1.98 -0.04 0.77 -1.09 0.19 -4.96 121.20 119.46 1vlx s ILE 7 Ca 0.08 -1.02 0.06 0.00 -2.23 0.00 0.00 60.65 57.54 1vlx s ILE 7 Cb -0.15 -1.68 -0.02 0.00 -1.58 0.00 0.00 42.46 39.04 1vlx s ILE 7 CO 0.08 0.55 -0.22 -1.10 -1.23 0.00 0.00 174.94 173.01 1vlx s GLN 8 N -0.12 2.31 -0.16 2.79 -0.21 -1.26 -0.45 119.66 122.57 1vlx s GLN 8 Ca -0.04 -0.86 0.00 0.00 0.02 0.00 0.00 55.36 54.48 1vlx s GLN 8 Cb -0.14 -2.16 0.03 0.00 1.00 0.00 0.00 33.01 31.74 1vlx s GLN 8 CO 0.04 0.54 -0.12 0.20 -2.12 0.00 0.00 175.29 173.83 1vlx s GLY 9 N -0.56 1.11 0.42 3.09 0.00 -0.50 -2.36 107.32 108.53 1vlx s GLY 9 Ca 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 44.72 43.89 1vlx s GLY 9 CO 0.00 0.63 0.58 1.16 0.00 0.00 0.00 173.10 175.47 1vlx n ASN 10 N 4.78 1.00 0.05 1.64 0.23 -0.53 -3.95 115.26 118.48 1vlx n ASN 10 Ca -0.16 -1.79 0.10 0.00 -0.53 0.00 0.00 54.58 52.20 1vlx n ASN 10 Cb 0.49 -0.36 0.42 0.00 -2.08 0.00 0.00 39.78 38.26 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 -2.82 0.26 -1.53 0.53 8.00 -1.24 -2.77 116.55 116.98 1vlx n ASP 11 Ca 0.10 0.55 0.03 0.00 0.71 0.00 0.00 54.79 56.19 1vlx n ASP 11 Cb 0.37 -0.61 0.28 0.00 -0.02 0.00 0.00 41.12 41.14 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 -1.78 3.66 -3.61 -1.24 1.13 -1.26 -4.93 117.38 109.35 1vlx n GLN 12 Ca 0.04 -2.24 -0.23 0.00 -1.94 0.00 0.00 57.00 52.63 1vlx n GLN 12 Cb 0.24 -2.04 0.07 0.00 0.11 0.00 0.00 30.24 28.62 1vlx n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1vlx n MET 13 N 0.37 -7.01 -4.05 -1.09 1.56 -1.11 -5.03 117.12 100.75 1vlx n MET 13 Ca 0.21 0.78 -0.08 0.00 -0.27 0.00 0.00 57.70 58.34 1vlx n MET 13 Cb 0.96 -5.76 -0.11 0.00 2.15 0.00 0.00 33.22 30.46 1vlx n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1vlx s GLN 14 N -6.09 0.49 0.17 2.12 -0.21 -1.26 -4.40 119.66 110.47 1vlx s GLN 14 Ca 0.40 -0.94 -0.01 0.00 0.02 0.00 0.00 55.36 54.84 1vlx s GLN 14 Cb -0.18 0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.89 1vlx s GLN 14 CO 0.75 -0.07 0.36 -0.06 -2.12 0.00 0.00 175.29 174.15 1vlx s PHE 15 N -2.68 3.49 -0.70 0.91 0.08 -1.26 -1.45 117.98 116.37 1vlx s PHE 15 Ca -0.04 0.33 0.26 0.00 0.12 0.00 0.00 56.93 57.60 1vlx s PHE 15 Cb -0.01 -1.84 0.87 0.00 -0.57 0.00 0.00 43.02 41.47 1vlx s PHE 15 CO -0.05 0.42 1.77 0.27 -0.10 0.00 0.00 175.22 177.53 1vlx n ASN 16 N -0.45 0.73 -4.06 1.36 6.94 -0.99 -4.82 115.26 113.97 1vlx n ASN 16 Ca -0.05 0.59 -0.07 0.00 -0.02 0.00 0.00 54.58 55.03 1vlx n ASN 16 Cb 0.53 -0.78 -0.10 0.00 -2.36 0.00 0.00 39.78 37.07 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 -3.14 0.20 -0.01 5.53 -1.32 -1.26 -5.04 115.64 110.59 1vlx s THR 17 Ca 0.09 -1.63 0.02 0.00 -1.21 0.00 0.00 61.69 58.96 1vlx s THR 17 Cb 0.12 -1.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.81 1vlx s THR 17 CO 0.55 -0.90 0.85 0.59 -2.21 0.00 0.00 174.62 173.50 1vlx n ASN 18 N 0.32 1.28 -3.66 8.08 4.13 -1.26 -4.85 115.26 119.29 1vlx n ASN 18 Ca -0.16 -1.78 -0.08 0.00 1.68 0.00 0.00 54.58 54.25 1vlx n ASN 18 Cb 0.60 -0.05 -0.09 0.00 -1.54 0.00 0.00 39.78 38.70 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 -0.79 -1.26 -0.13 5.41 0.00 -1.26 -1.12 121.76 122.61 1vlx s ALA 19 Ca 0.03 1.65 -0.00 0.00 0.00 0.00 0.00 51.96 53.63 1vlx s ALA 19 Cb 0.03 -1.29 -0.02 0.00 0.00 0.00 0.00 23.12 21.84 1vlx s ALA 19 CO 0.00 -0.65 -0.13 0.42 0.00 0.00 0.00 175.76 175.41 1vlx s ILE 20 N 2.33 3.10 -0.18 0.00 1.01 1.00 -4.94 121.20 123.52 1vlx s ILE 20 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1vlx s ILE 20 Cb -0.11 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.08 1vlx s ILE 20 CO -0.14 0.53 -0.19 0.42 0.00 0.00 0.00 174.94 175.55 1vlx s THR 21 N 0.31 2.11 -0.22 2.92 -4.23 -1.26 -0.89 115.64 114.38 1vlx s THR 21 Ca -0.10 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.35 1vlx s THR 21 Cb -0.16 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1vlx s THR 21 CO 0.05 0.54 0.30 -0.69 -0.54 0.00 0.00 174.62 174.28 1vlx s VAL 22 N 1.27 5.26 0.07 2.29 1.01 0.13 -4.89 120.40 125.54 1vlx s VAL 22 Ca 0.04 0.48 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1vlx s VAL 22 Cb -0.13 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1vlx s VAL 22 CO -0.12 0.28 1.06 -0.62 0.00 0.00 0.00 175.10 175.70 1vlx s ASP 23 N 1.11 7.29 0.58 3.32 -1.08 -1.25 0.13 116.67 126.77 1vlx s ASP 23 Ca 0.14 1.87 0.30 0.00 -0.52 0.00 0.00 52.55 54.34 1vlx s ASP 23 Cb -0.14 -2.58 1.42 0.00 -1.46 0.00 0.00 42.92 40.16 1vlx s ASP 23 CO 0.07 -0.27 1.81 0.11 0.52 0.00 0.00 175.17 177.41 1vlx h LYS 24 N 6.23 0.00 0.00 4.34 1.57 -1.90 0.12 116.57 126.93 1vlx h LYS 24 Ca -0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1vlx h LYS 24 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1vlx h LYS 24 CO 0.76 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.51 1vlx n SER 25 N -3.78 0.00 -4.77 0.86 3.41 -1.26 -4.76 113.62 103.32 1vlx n SER 25 Ca 0.13 -0.08 -0.40 0.00 -0.26 0.00 0.00 58.87 58.27 1vlx n SER 25 Cb 0.88 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 64.53 1vlx n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vlx n LYS 27 N 1.87 0.69 -4.13 0.00 4.01 -1.26 -4.60 118.16 114.74 1vlx n LYS 27 Ca -0.04 0.26 -0.11 0.00 -0.51 0.00 0.00 58.31 57.91 1vlx n LYS 27 Cb 0.49 -1.73 -0.10 0.00 -0.51 0.00 0.00 35.03 33.17 1vlx n LYS 27 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1vlx s GLN 28 N -2.57 0.71 -0.01 1.97 -2.07 -1.26 -1.94 119.66 114.48 1vlx s GLN 28 Ca -0.14 -1.15 0.01 0.00 -1.82 0.00 0.00 55.36 52.26 1vlx s GLN 28 Cb 0.07 -0.16 0.01 0.00 -1.09 0.00 0.00 33.01 31.84 1vlx s GLN 28 CO 0.79 -0.01 -0.03 0.12 -1.32 0.00 0.00 175.29 174.84 1vlx s PHE 29 N -3.01 0.36 0.03 9.60 5.36 0.09 -4.83 117.98 125.57 1vlx s PHE 29 Ca 0.05 -0.05 0.06 0.00 -0.96 0.00 0.00 56.93 56.02 1vlx s PHE 29 Cb 0.01 -0.31 -0.03 0.00 -0.34 0.00 0.00 43.02 42.35 1vlx s PHE 29 CO -0.04 -0.06 -0.13 0.99 -1.46 0.00 0.00 175.22 174.52 1vlx s THR 30 N 0.33 3.14 -0.27 0.12 2.01 -0.10 -1.37 115.64 119.49 1vlx s THR 30 Ca -0.03 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1vlx s THR 30 Cb -0.06 -2.35 0.07 0.00 0.01 0.00 0.00 72.50 70.18 1vlx s THR 30 CO -0.01 0.35 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 1vlx s VAL 31 N -0.96 1.71 -0.32 3.82 1.01 -0.60 -1.03 120.40 124.02 1vlx s VAL 31 Ca 0.16 -1.57 -0.15 0.00 0.00 0.00 0.00 61.98 60.41 1vlx s VAL 31 Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 1vlx s VAL 31 CO 0.06 -0.29 0.36 0.20 0.00 0.00 0.00 175.10 175.44 1vlx s ASN 32 N 1.27 6.19 -0.11 3.32 0.01 -0.30 -2.09 114.94 123.23 1vlx s ASN 32 Ca -0.00 -0.09 -0.01 0.00 -0.71 0.00 0.00 52.86 52.05 1vlx s ASN 32 Cb -0.19 -2.20 -0.03 0.00 0.41 0.00 0.00 41.25 39.24 1vlx s ASN 32 CO -0.09 -0.30 -0.05 -0.22 -1.51 0.00 0.00 177.10 174.93 1vlx s LEU 33 N 2.04 3.22 0.27 0.60 2.96 0.62 -0.64 118.68 127.75 1vlx s LEU 33 Ca 0.13 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1vlx s LEU 33 Cb -0.16 -1.74 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 1vlx s LEU 33 CO 0.11 0.28 0.03 -0.94 -1.32 0.00 0.00 176.35 174.51 1vlx s SER 34 N -0.29 2.00 -0.47 3.68 1.04 0.41 -1.06 113.70 119.01 1vlx s SER 34 Ca 0.05 -1.30 0.03 0.00 0.48 0.00 0.00 55.95 55.21 1vlx s SER 34 Cb -0.13 -0.02 0.16 0.00 0.10 0.00 0.00 66.02 66.14 1vlx s SER 34 CO 0.02 -0.57 0.34 -2.28 0.98 0.00 0.00 173.24 171.74 1vlx s HIS 35 N -3.39 1.77 0.77 5.02 2.46 -0.97 -1.41 115.29 119.53 1vlx s HIS 35 Ca 0.33 -2.48 -0.12 0.00 0.47 0.00 0.00 55.06 53.25 1vlx s HIS 35 Cb 0.07 -1.50 0.06 0.00 -0.13 0.00 0.00 32.58 31.08 1vlx s HIS 35 CO 0.12 -0.76 1.13 -1.25 -2.47 0.00 0.00 174.74 171.52 1vlx s PRO 36 N -0.09 2.05 0.00 2.88 0.04 -1.25 -1.10 135.00 137.53 1vlx s PRO 36 Ca 0.26 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1vlx s PRO 36 Cb -0.07 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1vlx s PRO 36 CO -0.13 -1.83 0.00 0.41 0.04 0.00 0.00 177.00 175.49 1vlx n GLY 37 N -0.38 0.18 0.00 0.56 0.00 -1.26 -3.72 105.19 100.57 1vlx n GLY 37 Ca 0.11 -2.30 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 0.00 0.11 -4.79 1.61 3.02 -1.26 -4.43 115.26 109.53 1vlx n ASN 38 Ca 0.00 -0.52 -0.36 0.00 -0.03 0.00 0.00 54.58 53.68 1vlx n ASN 38 Cb 0.00 0.14 -0.03 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.27 3.99 0.76 3.41 1.43 -1.26 -4.86 118.68 121.88 1vlx s LEU 39 Ca 0.00 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.03 1vlx s LEU 39 Cb 0.00 -4.35 0.05 0.00 0.03 0.00 0.00 46.19 41.92 1vlx s LEU 39 CO 0.00 -0.70 1.14 -2.16 0.23 0.00 0.00 176.35 174.86 1vlx s PRO 40 N -2.84 2.36 0.47 1.29 0.04 -1.26 -2.45 135.00 132.61 1vlx s PRO 40 Ca 0.63 0.26 0.20 0.00 0.04 0.00 0.00 61.00 62.12 1vlx s PRO 40 Cb -0.21 -1.99 1.17 0.00 0.04 0.00 0.00 34.50 33.51 1vlx s PRO 40 CO 0.26 -1.34 2.01 -0.22 0.04 0.00 0.00 177.00 177.74 1vlx h LYS 41 N -0.87 0.00 0.00 4.56 3.64 -1.86 0.19 116.57 122.22 1vlx h LYS 41 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1vlx h LYS 41 Cb 1.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1vlx h LYS 41 CO 0.65 0.18 0.00 0.27 -2.27 0.00 0.00 179.45 178.28 1vlx n ASN 42 N -4.01 0.00 0.00 4.20 6.94 -1.26 -2.11 115.26 119.03 1vlx n ASN 42 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.54 1vlx n ASN 42 Cb 0.26 -0.31 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 1vlx n ASN 42 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1vlx n VAL 43 N -1.31 0.00 -2.65 3.53 0.31 -0.59 -4.82 118.33 112.80 1vlx n VAL 43 Ca 0.11 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.35 1vlx n VAL 43 Cb 0.20 -0.56 0.03 0.00 -0.91 0.00 0.00 33.84 32.60 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 -2.16 1.77 -2.11 5.55 0.00 0.56 -5.03 117.12 115.69 1vlx n MET 44 Ca 0.00 -3.54 -0.40 0.00 -0.00 0.00 0.00 57.70 53.76 1vlx n MET 44 Cb 0.42 -1.55 -0.02 0.00 0.00 0.00 0.00 33.22 32.08 1vlx n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1vlx s GLY 45 N -3.43 2.97 0.00 -5.12 0.00 -0.89 -4.79 107.32 96.05 1vlx s GLY 45 Ca 0.31 1.23 0.03 0.00 0.00 0.00 0.00 44.72 46.29 1vlx s GLY 45 CO -0.01 1.85 -0.08 0.30 0.00 0.00 0.00 173.10 175.15 1vlx s HIS 46 N -1.19 0.75 0.22 1.90 3.76 -0.27 -4.64 115.29 115.81 1vlx s HIS 46 Ca 0.52 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 55.28 1vlx s HIS 46 Cb -0.39 -0.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.78 1vlx s HIS 46 CO 0.51 -0.01 -0.02 0.54 -0.85 0.00 0.00 174.74 174.90 1vlx s ASN 47 N -0.39 1.92 -0.27 1.40 6.03 -1.26 -0.65 114.94 121.72 1vlx s ASN 47 Ca 0.02 -1.19 0.02 0.00 -1.03 0.00 0.00 52.86 50.68 1vlx s ASN 47 Cb -0.04 -0.01 0.07 0.00 -3.03 0.00 0.00 41.25 38.24 1vlx s ASN 47 CO -0.00 -0.47 -0.04 0.86 -2.03 0.00 0.00 177.10 175.42 1vlx s TRP 48 N -3.36 2.96 -0.08 1.54 -0.00 -1.26 -4.07 118.94 114.65 1vlx s TRP 48 Ca 0.27 -2.23 -0.02 0.00 -0.00 0.00 0.00 56.10 54.12 1vlx s TRP 48 Cb 0.05 -2.01 -0.03 0.00 -0.00 0.00 0.00 33.47 31.48 1vlx s TRP 48 CO 0.08 -0.86 0.00 0.08 -0.00 0.00 0.00 176.95 176.25 1vlx s VAL 49 N 1.20 4.32 0.08 5.86 1.01 0.20 -1.07 120.40 132.00 1vlx s VAL 49 Ca -0.02 -0.25 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1vlx s VAL 49 Cb -0.19 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1vlx s VAL 49 CO -0.07 0.60 -0.22 -0.22 0.00 0.00 0.00 175.10 175.18 1vlx s LEU 50 N -0.90 2.25 -0.02 3.92 2.96 -0.26 -1.28 118.68 125.35 1vlx s LEU 50 Ca 0.13 -0.64 -0.29 0.00 -0.22 0.00 0.00 54.13 53.12 1vlx s LEU 50 Cb -0.11 -1.00 0.10 0.00 0.50 0.00 0.00 46.19 45.67 1vlx s LEU 50 CO 0.02 0.13 1.29 -0.94 -1.32 0.00 0.00 176.35 175.53 1vlx s SER 51 N -1.65 0.00 0.54 3.68 1.04 -1.08 -1.09 113.70 115.15 1vlx s SER 51 Ca 0.08 -0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.16 1vlx s SER 51 Cb -0.10 0.13 -0.06 0.00 0.10 0.00 0.00 66.02 66.09 1vlx s SER 51 CO 0.04 -0.26 1.02 0.42 0.98 0.00 0.00 173.24 175.43 1vlx s THR 52 N -2.02 4.11 0.45 2.02 -4.23 -1.26 -1.44 115.64 113.26 1vlx s THR 52 Ca 0.30 1.05 0.14 0.00 -1.18 0.00 0.00 61.69 62.00 1vlx s THR 52 Cb -0.01 -3.53 0.32 0.00 1.34 0.00 0.00 72.50 70.63 1vlx s THR 52 CO -0.01 -0.54 2.01 0.00 -0.54 0.00 0.00 174.62 175.54 1vlx h ALA 53 N 0.82 2.01 0.00 3.99 0.00 -1.47 -0.89 119.26 123.72 1vlx h ALA 53 Ca -0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 1vlx h ALA 53 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1vlx h ALA 53 CO 0.59 -0.12 -0.36 0.00 0.00 0.00 0.00 179.25 179.37 1vlx h ALA 54 N 1.73 1.21 0.00 0.00 0.00 -1.92 -2.68 119.26 117.60 1vlx h ALA 54 Ca 0.23 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1vlx h ALA 54 Cb 0.45 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1vlx h ALA 54 CO -0.06 0.45 -1.40 -0.25 0.00 0.00 0.00 179.25 177.99 1vlx n ASP 55 N -3.82 0.62 -0.31 0.00 8.00 -0.59 -4.55 116.55 115.90 1vlx n ASP 55 Ca -0.01 0.25 -0.02 0.00 0.71 0.00 0.00 54.79 55.71 1vlx n ASP 55 Cb 0.43 0.76 0.03 0.00 -0.02 0.00 0.00 41.12 42.32 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 0.00 -0.06 -0.66 -1.24 4.05 -0.85 -1.29 114.93 114.89 1vlx h MET 56 Ca -0.07 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.47 1vlx h MET 56 Cb 1.20 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.93 1vlx h MET 56 CO 0.01 -0.04 0.25 0.37 0.23 0.00 0.00 176.91 177.73 1vlx h GLN 57 N -0.06 0.41 -0.07 0.39 5.75 -1.80 -0.26 115.11 119.47 1vlx h GLN 57 Ca 0.31 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.78 1vlx h GLN 57 Cb 0.58 -0.09 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1vlx h GLN 57 CO -0.87 0.27 0.02 0.78 -2.65 0.00 0.00 178.83 176.38 1vlx h GLY 58 N 0.42 0.12 0.67 2.39 0.00 -1.54 0.03 103.07 105.16 1vlx h GLY 58 Ca 0.34 -0.07 0.06 0.00 0.00 0.00 0.00 47.33 47.66 1vlx h GLY 58 CO -0.34 0.07 0.36 -2.08 0.00 0.00 0.00 176.54 174.55 1vlx h VAL 59 N -0.06 0.96 -0.27 4.60 2.07 -0.98 -0.73 116.25 121.83 1vlx h VAL 59 Ca 0.02 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 1vlx h VAL 59 Cb 0.20 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1vlx h VAL 59 CO -0.00 0.12 0.08 0.58 0.02 0.00 0.00 177.57 178.38 1vlx h VAL 60 N 0.67 1.20 -0.12 2.57 2.07 -0.91 0.68 116.25 122.41 1vlx h VAL 60 Ca 0.30 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1vlx h VAL 60 Cb 0.20 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1vlx h VAL 60 CO -0.19 0.21 -0.01 0.74 0.02 0.00 0.00 177.57 178.35 1vlx h THR 61 N 0.27 1.26 -0.26 2.57 2.02 -0.86 0.08 112.91 117.99 1vlx h THR 61 Ca 0.09 -0.84 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 1vlx h THR 61 Cb 0.24 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1vlx h THR 61 CO -0.00 0.24 -0.21 0.44 0.37 0.00 0.00 175.52 176.36 1vlx h ASP 62 N -0.07 0.47 -0.18 4.18 3.32 -1.15 -2.88 116.42 120.10 1vlx h ASP 62 Ca 0.03 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.81 1vlx h ASP 62 Cb 0.38 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1vlx h ASP 62 CO 0.01 0.69 -0.34 1.23 -1.72 0.00 0.00 179.24 179.11 1vlx h GLY 63 N 0.98 0.75 2.00 2.75 0.00 -0.64 -2.18 103.07 106.74 1vlx h GLY 63 Ca 0.07 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 1vlx h GLY 63 CO 0.04 0.65 -0.10 1.98 0.00 0.00 0.00 176.54 179.10 1vlx h MET 64 N 0.58 0.00 0.00 4.80 1.85 -0.82 -2.02 114.93 119.33 1vlx h MET 64 Ca 0.06 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 59.03 1vlx h MET 64 Cb 0.85 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.86 1vlx h MET 64 CO 0.07 0.10 -1.24 0.00 -0.40 0.00 0.00 176.91 175.44 1vlx h ALA 65 N 1.90 0.62 -0.64 0.39 0.00 -1.22 -3.37 119.26 116.94 1vlx h ALA 65 Ca -0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1vlx h ALA 65 Cb 0.30 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1vlx h ALA 65 CO 0.01 0.68 0.19 0.77 0.00 0.00 0.00 179.25 180.91 1vlx h SER 66 N 0.00 0.95 -4.96 0.00 0.02 -0.77 -3.49 113.55 105.29 1vlx h SER 66 Ca -0.11 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1vlx h SER 66 Cb 1.43 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1vlx h SER 66 CO 0.04 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.24 1vlx n GLY 67 N -0.71 1.54 0.28 -3.77 0.00 -1.19 -4.36 105.19 96.98 1vlx n GLY 67 Ca 0.04 -1.94 0.04 0.00 0.00 0.00 0.00 46.02 44.16 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 0.44 -1.81 0.99 5.85 -1.93 0.21 115.31 119.06 1vlx h LEU 68 Ca 0.00 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.00 1vlx h LEU 68 Cb 0.00 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1vlx h LEU 68 CO 0.00 0.21 0.55 -0.78 -0.34 0.00 0.00 178.44 178.08 1vlx h ASP 69 N 0.57 0.17 -0.54 1.25 3.58 -2.01 0.73 116.42 120.17 1vlx h ASP 69 Ca 0.40 0.01 -0.19 0.00 0.42 0.00 0.00 57.03 57.67 1vlx h ASP 69 Cb 0.51 -0.02 -0.11 0.00 1.72 0.00 0.00 39.33 41.43 1vlx h ASP 69 CO -0.33 0.07 0.15 0.29 -2.88 0.00 0.00 179.24 176.54 1vlx n LYS 70 N -4.39 2.78 -2.36 0.28 4.76 0.02 -4.90 118.16 114.35 1vlx n LYS 70 Ca 0.16 -3.05 -0.17 0.00 -2.87 0.00 0.00 58.31 52.38 1vlx n LYS 70 Cb 0.74 -2.00 -0.01 0.00 -1.84 0.00 0.00 35.03 31.92 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 -0.66 -4.93 -2.41 4.39 8.00 0.25 -1.74 116.55 119.44 1vlx n ASP 71 Ca 0.36 0.11 -0.19 0.00 0.71 0.00 0.00 54.79 55.78 1vlx n ASP 71 Cb 1.20 -4.16 -0.01 0.00 -0.02 0.00 0.00 41.12 38.13 1vlx n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1vlx n TYR 72 N -3.61 -1.10 -4.15 1.24 4.01 0.54 -4.75 117.16 109.33 1vlx n TYR 72 Ca -0.20 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.39 1vlx n TYR 72 Cb 0.65 -3.69 -0.13 0.00 -0.31 0.00 0.00 39.34 35.86 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 -5.94 2.15 0.03 7.72 1.43 -0.71 -3.94 118.68 119.41 1vlx s LEU 73 Ca 0.00 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 1vlx s LEU 73 Cb 0.00 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1vlx s LEU 73 CO 0.00 -0.06 1.13 -0.75 0.23 0.00 0.00 176.35 176.90 1vlx s LYS 74 N -0.96 4.46 0.34 1.70 2.20 -1.26 -4.82 119.74 121.39 1vlx s LYS 74 Ca -0.03 1.64 -0.29 0.00 -0.36 0.00 0.00 55.97 56.93 1vlx s LYS 74 Cb -0.07 -3.41 -0.12 0.00 -1.51 0.00 0.00 37.83 32.73 1vlx s LYS 74 CO 0.00 -0.21 1.47 -2.30 -0.36 0.00 0.00 175.35 173.95 1vlx n PRO 75 N 4.07 2.51 -2.32 4.03 -0.02 -1.26 -2.05 135.00 139.97 1vlx n PRO 75 Ca 0.08 0.89 -0.17 0.00 -2.02 0.00 0.00 63.50 62.27 1vlx n PRO 75 Cb 0.48 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 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 1.10 -5.06 -4.60 2.55 8.00 -1.26 -4.85 116.55 112.42 1vlx n ASP 76 Ca 0.05 0.11 -0.43 0.00 0.71 0.00 0.00 54.79 55.23 1vlx n ASP 76 Cb 0.37 -4.27 -0.03 0.00 -0.02 0.00 0.00 41.12 37.17 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 -2.09 5.60 0.04 -2.24 -1.08 -0.87 -4.83 116.67 111.20 1vlx s ASP 77 Ca 0.00 1.82 0.07 0.00 -0.52 0.00 0.00 52.55 53.92 1vlx s ASP 77 Cb 0.00 -2.51 0.31 0.00 -1.46 0.00 0.00 42.92 39.25 1vlx s ASP 77 CO 0.00 -1.86 1.21 -1.54 0.52 0.00 0.00 175.17 173.50 1vlx n SER 78 N 11.18 0.08 0.05 -0.34 3.41 -1.26 -1.85 113.62 124.88 1vlx n SER 78 Ca 0.28 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1vlx n SER 78 Cb 0.45 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 64.06 1vlx n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vlx n ARG 79 N -1.60 0.22 -2.92 4.33 1.74 -1.26 -4.87 116.66 112.31 1vlx n ARG 79 Ca 0.01 0.06 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 1vlx n ARG 79 Cb 0.06 -1.64 -0.05 0.00 -1.02 0.00 0.00 32.46 29.81 1vlx n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1vlx s VAL 80 N -3.13 4.73 0.04 1.55 1.01 -0.77 -4.55 120.40 119.28 1vlx s VAL 80 Ca 0.07 1.07 -0.17 0.00 0.00 0.00 0.00 61.98 62.95 1vlx s VAL 80 Cb 0.14 -4.21 -0.20 0.00 0.00 0.00 0.00 36.38 32.11 1vlx s VAL 80 CO 0.71 -0.38 1.20 0.40 0.00 0.00 0.00 175.10 177.03 1vlx h ILE 81 N 5.70 1.36 -2.42 2.22 2.04 -1.44 -3.47 117.51 121.50 1vlx h ILE 81 Ca -0.24 -1.97 -0.03 0.00 1.00 0.00 0.00 64.86 63.62 1vlx h ILE 81 Cb 1.09 2.31 -0.16 0.00 -0.74 0.00 0.00 36.82 39.32 1vlx h ILE 81 CO 0.91 0.59 0.23 0.00 0.00 0.00 0.00 178.15 179.88 1vlx s ALA 82 N -3.50 -1.71 0.07 1.87 0.00 -1.26 -5.03 121.76 112.21 1vlx s ALA 82 Ca -0.12 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.54 1vlx s ALA 82 Cb 0.05 0.37 0.08 0.00 0.00 0.00 0.00 23.12 23.62 1vlx s ALA 82 CO 0.85 -0.55 0.70 -3.38 0.00 0.00 0.00 175.76 173.37 1vlx s HIS 83 N -2.36 -0.51 0.55 0.00 -3.43 -1.26 -1.10 115.29 107.19 1vlx s HIS 83 Ca -0.05 0.45 0.09 0.00 -0.80 0.00 0.00 55.06 54.74 1vlx s HIS 83 Cb -0.00 0.53 0.09 0.00 -1.43 0.00 0.00 32.58 31.76 1vlx s HIS 83 CO -0.01 -0.72 0.71 0.25 -2.00 0.00 0.00 174.74 172.97 1vlx n THR 84 N -0.09 0.00 -1.96 -5.38 -2.24 -0.23 -4.82 114.28 99.56 1vlx n THR 84 Ca -0.15 -1.89 -0.28 0.00 -2.27 0.00 0.00 64.05 59.45 1vlx n THR 84 Cb 0.63 -0.46 0.09 0.00 -2.10 0.00 0.00 70.33 68.50 1vlx n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1vlx s LYS 85 N -4.46 1.89 -0.14 -0.78 1.02 -1.26 -4.48 119.74 111.53 1vlx s LYS 85 Ca 0.54 -0.01 -0.17 0.00 0.02 0.00 0.00 55.97 56.35 1vlx s LYS 85 Cb -0.04 -1.98 -0.04 0.00 -0.52 0.00 0.00 37.83 35.24 1vlx s LYS 85 CO 0.34 -1.60 0.43 -1.17 -0.92 0.00 0.00 175.35 172.43 1vlx s LEU 86 N -5.54 4.24 0.12 3.17 2.96 -1.26 -4.30 118.68 118.07 1vlx s LEU 86 Ca 0.63 0.70 0.08 0.00 -0.22 0.00 0.00 54.13 55.31 1vlx s LEU 86 Cb -0.10 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1vlx s LEU 86 CO 0.49 -0.00 -0.19 0.27 -1.32 0.00 0.00 176.35 175.60 1vlx s ILE 87 N 0.75 1.66 0.03 6.68 -4.36 0.17 -4.90 121.20 121.23 1vlx s ILE 87 Ca 0.23 -1.68 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1vlx s ILE 87 Cb -0.15 -1.62 0.00 0.00 1.25 0.00 0.00 42.46 41.95 1vlx s ILE 87 CO 0.08 -0.20 0.04 0.61 0.24 0.00 0.00 174.94 175.71 1vlx n GLY 88 N 0.75 1.95 3.79 6.27 0.00 -1.26 -1.12 105.19 115.57 1vlx n GLY 88 Ca -0.17 -2.14 -0.35 0.00 0.00 0.00 0.00 46.02 43.37 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 -1.19 6.50 0.00 1.61 1.04 -1.02 -3.38 113.70 117.26 1vlx s SER 89 Ca 0.03 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.44 1vlx s SER 89 Cb -0.00 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.55 1vlx s SER 89 CO 0.02 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1vlx n GLY 90 N -0.00 1.40 3.97 7.32 0.00 -0.26 -4.99 105.19 112.64 1vlx n GLY 90 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.05 3.24 -0.01 1.61 2.02 -1.22 -4.94 118.70 119.35 1vlx s GLU 91 Ca 0.00 -0.78 -0.07 0.00 0.02 0.00 0.00 54.97 54.14 1vlx s GLU 91 Cb 0.00 -2.78 0.00 0.00 0.10 0.00 0.00 34.13 31.45 1vlx s GLU 91 CO 0.00 0.13 0.14 0.21 0.02 0.00 0.00 175.26 175.75 1vlx s LYS 92 N -4.19 0.40 0.02 1.61 2.47 -1.26 -2.30 119.74 116.48 1vlx s LYS 92 Ca 0.42 -0.25 -0.19 0.00 -1.56 0.00 0.00 55.97 54.39 1vlx s LYS 92 Cb -0.09 0.17 0.04 0.00 -1.46 0.00 0.00 37.83 36.48 1vlx s LYS 92 CO 0.32 -0.09 0.42 0.34 0.16 0.00 0.00 175.35 176.50 1vlx s ASP 93 N -1.01 -0.30 -0.01 1.43 2.15 -0.22 -5.01 116.67 113.69 1vlx s ASP 93 Ca -0.11 0.10 -0.02 0.00 0.43 0.00 0.00 52.55 52.95 1vlx s ASP 93 Cb -0.06 0.41 0.00 0.00 -0.30 0.00 0.00 42.92 42.97 1vlx s ASP 93 CO 0.01 -0.61 0.04 -0.44 -0.17 0.00 0.00 175.17 174.00 1vlx s SER 94 N -1.75 -0.01 -0.07 -0.34 0.01 -1.26 -0.28 113.70 110.00 1vlx s SER 94 Ca -0.08 0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.19 1vlx s SER 94 Cb -0.02 0.10 0.02 0.00 0.21 0.00 0.00 66.02 66.33 1vlx s SER 94 CO 0.01 -0.07 -0.07 0.54 0.41 0.00 0.00 173.24 174.06 1vlx s VAL 95 N -0.23 0.77 -0.07 3.43 0.11 -0.89 -4.99 120.40 118.53 1vlx s VAL 95 Ca -0.03 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 58.82 1vlx s VAL 95 Cb -0.02 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.03 1vlx s VAL 95 CO 0.00 0.29 -0.12 -0.89 -3.33 0.00 0.00 175.10 171.06 1vlx s THR 96 N 1.13 3.28 0.16 5.04 2.01 -1.26 -1.56 115.64 124.44 1vlx s THR 96 Ca -0.07 -0.63 0.01 0.00 0.31 0.00 0.00 61.69 61.32 1vlx s THR 96 Cb -0.14 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.00 1vlx s THR 96 CO -0.01 0.58 0.00 0.72 -0.69 0.00 0.00 174.62 175.22 1vlx s PHE 97 N -0.52 1.13 0.07 4.92 -0.12 -0.47 -4.93 117.98 118.06 1vlx s PHE 97 Ca 0.07 -1.03 -0.30 0.00 -0.05 0.00 0.00 56.93 55.62 1vlx s PHE 97 Cb -0.12 -0.65 -0.05 0.00 -0.63 0.00 0.00 43.02 41.58 1vlx s PHE 97 CO 0.02 -0.24 0.96 0.34 -0.05 0.00 0.00 175.22 176.25 1vlx s ASP 98 N -3.14 7.45 0.42 1.98 -1.08 -1.26 -0.73 116.67 120.30 1vlx s ASP 98 Ca 0.22 1.74 0.29 0.00 -0.52 0.00 0.00 52.55 54.29 1vlx s ASP 98 Cb 0.06 -2.58 1.24 0.00 -1.46 0.00 0.00 42.92 40.18 1vlx s ASP 98 CO 0.03 -0.13 1.87 0.58 0.52 0.00 0.00 175.17 178.03 1vlx h VAL 99 N 4.30 0.00 0.00 1.11 2.07 -1.64 -2.83 116.25 119.25 1vlx h VAL 99 Ca -0.42 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 66.76 1vlx h VAL 99 Cb 1.21 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1vlx h VAL 99 CO 0.73 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.78 1vlx n SER 100 N -2.67 0.00 -0.25 0.57 3.41 -1.26 -1.60 113.62 111.82 1vlx n SER 100 Ca 0.01 -0.30 0.14 0.00 -0.26 0.00 0.00 58.87 58.46 1vlx n SER 100 Cb 0.25 -0.17 0.60 0.00 -0.26 0.00 0.00 64.21 64.64 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 -1.17 1.13 -4.24 4.33 5.02 -1.07 -4.84 118.16 117.33 1vlx n LYS 101 Ca 0.13 -0.50 -0.27 0.00 -2.02 0.00 0.00 58.31 55.65 1vlx n LYS 101 Cb 0.13 -1.49 -0.08 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 -2.22 3.18 0.03 -0.35 1.43 -0.63 -5.10 118.68 115.02 1vlx s LEU 102 Ca 0.35 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1vlx s LEU 102 Cb 0.21 -1.85 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 1vlx s LEU 102 CO 0.41 0.10 -0.08 -1.59 0.23 0.00 0.00 176.35 175.42 1vlx s LYS 103 N -2.86 0.56 0.34 1.70 -2.85 -1.26 -5.04 119.74 110.33 1vlx s LYS 103 Ca 0.26 -0.59 -0.28 0.00 -1.00 0.00 0.00 55.97 54.36 1vlx s LYS 103 Cb -0.09 -0.43 -0.10 0.00 -2.06 0.00 0.00 37.83 35.15 1vlx s LYS 103 CO 0.17 0.10 1.25 -2.00 0.10 0.00 0.00 175.35 174.97 1vlx s GLU 104 N -1.09 4.33 0.00 1.78 2.12 -1.26 -2.88 118.70 121.69 1vlx s GLU 104 Ca -0.05 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.36 1vlx s GLU 104 Cb -0.07 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.31 1vlx s GLU 104 CO 0.00 -0.16 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 1vlx n GLY 105 N 0.84 3.36 3.79 -1.50 0.00 -1.26 -5.05 105.19 105.37 1vlx n GLY 105 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.74 4.13 -0.20 1.61 2.12 -1.14 -5.05 118.70 119.43 1vlx s GLU 106 Ca 0.00 0.50 -0.23 0.00 0.36 0.00 0.00 54.97 55.60 1vlx s GLU 106 Cb 0.00 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 31.07 1vlx s GLU 106 CO 0.00 0.49 0.74 -1.14 -0.54 0.00 0.00 175.26 174.81 1vlx s GLN 107 N -0.49 4.23 0.20 4.30 0.74 -1.26 -4.76 119.66 122.62 1vlx s GLN 107 Ca 0.26 0.82 0.10 0.00 0.05 0.00 0.00 55.36 56.58 1vlx s GLN 107 Cb -0.17 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.31 1vlx s GLN 107 CO 0.14 -0.33 -0.12 0.71 -0.55 0.00 0.00 175.29 175.14 1vlx s TYR 108 N 2.17 2.55 0.05 1.67 2.02 -1.12 -1.25 117.35 123.44 1vlx s TYR 108 Ca 0.33 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 1vlx s TYR 108 Cb -0.16 -1.23 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 1vlx s TYR 108 CO 0.11 0.54 -0.11 -1.64 -1.57 0.00 0.00 175.55 172.88 1vlx s MET 109 N -2.94 0.68 0.00 -0.62 -1.94 -0.52 -1.02 119.30 112.94 1vlx s MET 109 Ca 0.25 -0.80 0.08 0.00 -1.71 0.00 0.00 55.69 53.50 1vlx s MET 109 Cb -0.08 -0.58 -0.02 0.00 2.01 0.00 0.00 34.83 36.16 1vlx s MET 109 CO 0.15 0.12 -0.23 -0.59 -0.01 0.00 0.00 175.02 174.46 1vlx s PHE 110 N -1.21 2.41 0.29 -0.03 -0.12 -0.64 -2.62 117.98 116.05 1vlx s PHE 110 Ca -0.05 -0.37 -0.19 0.00 -0.05 0.00 0.00 56.93 56.27 1vlx s PHE 110 Cb -0.09 -1.49 0.02 0.00 -0.63 0.00 0.00 43.02 40.83 1vlx s PHE 110 CO 0.01 0.07 0.69 -0.59 -0.05 0.00 0.00 175.22 175.35 1vlx s PHE 111 N -0.72 -0.05 -0.13 3.49 -0.71 -0.40 -1.94 117.98 117.51 1vlx s PHE 111 Ca 0.11 -0.41 -0.02 0.00 -1.04 0.00 0.00 56.93 55.57 1vlx s PHE 111 Cb -0.10 0.64 -0.02 0.00 -1.21 0.00 0.00 43.02 42.32 1vlx s PHE 111 CO 0.01 -1.24 -0.08 0.00 -1.34 0.00 0.00 175.22 172.57 1vlx n THR 113 N 3.36 0.00 -1.83 0.00 -2.24 -1.26 -3.26 114.28 109.04 1vlx n THR 113 Ca -0.18 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 1vlx n THR 113 Cb 0.53 0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 69.46 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 -2.03 2.78 -0.37 4.78 2.19 -1.26 -4.49 117.98 119.59 1vlx s PHE 114 Ca 0.35 0.90 -0.45 0.00 0.33 0.00 0.00 56.93 58.07 1vlx s PHE 114 Cb 0.21 -4.01 -0.19 0.00 -1.31 0.00 0.00 43.02 37.72 1vlx s PHE 114 CO 0.34 -3.28 1.53 -2.30 1.83 0.00 0.00 175.22 173.34 1vlx n PRO 115 N 1.90 0.22 0.00 10.12 -0.02 -1.26 -0.99 135.00 144.96 1vlx n PRO 115 Ca 0.07 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1vlx n PRO 115 Cb 0.38 -1.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 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 3.59 2.88 0.23 -1.23 0.00 -1.26 -4.84 105.19 104.56 1vlx n GLY 116 Ca 0.28 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.38 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 -1.33 -2.73 115.15 116.57 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 0.20 0.00 -1.13 0.86 0.00 0.00 177.93 177.86 1vlx n SER 118 N -3.91 0.55 -0.20 2.45 3.41 -1.20 -0.48 113.62 114.24 1vlx n SER 118 Ca -0.02 0.72 0.01 0.00 -0.26 0.00 0.00 58.87 59.33 1vlx n SER 118 Cb 0.29 -0.81 0.27 0.00 -0.26 0.00 0.00 64.21 63.70 1vlx n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vlx h ALA 119 N 2.07 1.50 0.00 7.33 0.00 -1.84 -3.33 119.26 125.00 1vlx h ALA 119 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vlx h ALA 119 Cb 0.09 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 1vlx h ALA 119 CO 0.00 0.46 -1.10 1.28 0.00 0.00 0.00 179.25 179.89 1vlx n LEU 120 N -4.43 0.00 -4.17 0.00 4.77 -0.87 -4.85 117.00 107.45 1vlx n LEU 120 Ca 0.08 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.66 1vlx n LEU 120 Cb 0.05 0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1vlx n LEU 120 CO 0.36 0.01 0.55 0.23 -1.33 0.00 0.00 177.39 177.21 1vlx n MET 121 N -1.63 3.08 -4.00 3.23 2.81 0.36 -4.67 117.12 116.30 1vlx n MET 121 Ca -0.01 -4.48 -0.09 0.00 -1.81 0.00 0.00 57.70 51.31 1vlx n MET 121 Cb 0.11 -2.46 -0.06 0.00 -0.71 0.00 0.00 33.22 30.10 1vlx n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1vlx s LYS 122 N -1.48 1.48 -0.05 0.03 -2.85 -1.26 -2.28 119.74 113.33 1vlx s LYS 122 Ca 0.29 -1.25 -0.31 0.00 -1.00 0.00 0.00 55.97 53.70 1vlx s LYS 122 Cb -0.07 0.45 0.12 0.00 -2.06 0.00 0.00 37.83 36.27 1vlx s LYS 122 CO -0.09 -0.60 1.35 0.20 0.10 0.00 0.00 175.35 176.30 1vlx s GLY 123 N -3.02 -0.34 0.16 0.59 0.00 -0.82 -4.71 107.32 99.19 1vlx s GLY 123 Ca 0.23 0.54 0.04 0.00 0.00 0.00 0.00 44.72 45.52 1vlx s GLY 123 CO 0.08 2.54 0.23 -0.51 0.00 0.00 0.00 173.10 175.44 1vlx s THR 124 N -2.13 4.99 -0.05 0.90 -4.23 -0.27 -1.63 115.64 113.22 1vlx s THR 124 Ca 0.21 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.86 1vlx s THR 124 Cb 0.04 -3.58 0.02 0.00 1.34 0.00 0.00 72.50 70.32 1vlx s THR 124 CO -0.04 -0.12 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.63 1vlx s LEU 125 N -3.26 1.46 -0.01 4.79 0.20 -0.19 -0.00 118.68 121.67 1vlx s LEU 125 Ca 0.33 -0.18 0.01 0.00 0.69 0.00 0.00 54.13 54.98 1vlx s LEU 125 Cb -0.10 -0.56 0.00 0.00 -0.43 0.00 0.00 46.19 45.10 1vlx s LEU 125 CO 0.27 -0.02 -0.05 0.28 -0.29 0.00 0.00 176.35 176.54 1vlx s THR 126 N 0.78 0.43 -0.63 3.68 -1.32 -0.07 -2.79 115.64 115.72 1vlx s THR 126 Ca -0.12 -0.19 -0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1vlx s THR 126 Cb -0.15 -0.40 0.04 0.00 -1.51 0.00 0.00 72.50 70.48 1vlx s THR 126 CO 0.01 0.15 1.16 -0.22 -2.21 0.00 0.00 174.62 173.51 1vlx s LEU 127 N 0.18 3.55 0.00 9.08 0.20 -1.26 0.19 118.68 130.62 1vlx s LEU 127 Ca -0.02 -0.24 0.00 0.00 0.69 0.00 0.00 54.13 54.57 1vlx s LEU 127 Cb -0.06 -2.86 0.00 0.00 -0.43 0.00 0.00 46.19 42.85 1vlx s LEU 127 CO -0.00 -1.55 0.33 0.29 -0.29 0.00 0.00 176.35 175.13