#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbj n GLU -1 N 0.00 5.51 -4.09 -0.52 1.02 -1.26 -5.03 120.64 116.27 1vbj n GLU -1 Ca 0.00 -0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1vbj n GLU -1 Cb 0.00 -0.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.75 1vbj n GLU -1 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1vbj n PHE 0 N -1.12 -1.43 -3.87 -0.32 3.72 -1.26 -4.92 117.46 108.26 1vbj n PHE 0 Ca 0.00 0.30 -0.36 0.00 -0.05 0.00 0.00 57.45 57.35 1vbj n PHE 0 Cb 0.04 -2.93 -0.13 0.00 -0.94 0.00 0.00 39.48 35.51 1vbj n PHE 0 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1vbj s MET 1 N -7.21 3.56 -0.40 -1.08 1.75 -1.26 -5.02 119.30 109.65 1vbj s MET 1 Ca 0.33 -0.53 0.03 0.00 -1.25 0.00 0.00 55.69 54.26 1vbj s MET 1 Cb -0.17 -3.17 0.16 0.00 2.84 0.00 0.00 34.83 34.49 1vbj s MET 1 CO 0.96 -0.14 0.30 0.00 -0.65 0.00 0.00 175.02 175.48 1vbj s ALA 2 N 1.43 1.29 -1.11 4.11 0.00 -1.26 -3.68 121.76 122.53 1vbj s ALA 2 Ca 0.05 -2.28 -0.21 0.00 0.00 0.00 0.00 51.96 49.52 1vbj s ALA 2 Cb -0.15 -1.61 -0.08 0.00 0.00 0.00 0.00 23.12 21.29 1vbj s ALA 2 CO 0.01 -2.02 1.92 1.28 0.00 0.00 0.00 175.76 176.95 1vbj n LEU 3 N 3.25 3.75 -1.19 0.00 4.77 -0.16 -4.69 117.00 122.72 1vbj n LEU 3 Ca 0.23 -3.26 0.11 0.00 -0.03 0.00 0.00 56.01 53.07 1vbj n LEU 3 Cb 0.44 -1.59 0.25 0.00 -2.33 0.00 0.00 43.42 40.19 1vbj n LEU 3 CO 0.11 -1.07 0.72 0.35 -1.33 0.00 0.00 177.39 176.17 1vbj n THR 4 N 7.05 0.71 -1.63 -5.08 -2.24 -1.26 -4.40 114.28 107.43 1vbj n THR 4 Ca 0.47 -0.85 -0.49 0.00 -2.27 0.00 0.00 64.05 60.91 1vbj n THR 4 Cb 0.45 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.41 1vbj n THR 4 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1vbj n GLN 5 N 1.48 1.67 -4.02 -0.78 7.27 -1.26 -4.66 117.38 117.08 1vbj n GLN 5 Ca 0.21 0.60 -0.10 0.00 0.07 0.00 0.00 57.00 57.78 1vbj n GLN 5 Cb 0.60 -2.31 -0.06 0.00 2.41 0.00 0.00 30.24 30.88 1vbj n GLN 5 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 1vbj s SER 6 N 0.71 -0.04 -0.06 1.69 1.04 -1.26 -0.62 113.70 115.15 1vbj s SER 6 Ca 0.81 -0.98 -0.08 0.00 0.48 0.00 0.00 55.95 56.18 1vbj s SER 6 Cb -0.81 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 65.79 1vbj s SER 6 CO 0.42 -1.05 0.22 -0.76 0.98 0.00 0.00 173.24 173.05 1vbj s LEU 7 N -3.03 4.40 -0.36 2.42 1.43 -0.03 -4.85 118.68 118.66 1vbj s LEU 7 Ca 0.24 0.57 -0.20 0.00 -1.03 0.00 0.00 54.13 53.71 1vbj s LEU 7 Cb 0.01 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.89 1vbj s LEU 7 CO 0.08 0.35 0.63 -0.75 0.23 0.00 0.00 176.35 176.89 1vbj s LYS 8 N -1.28 3.65 1.07 1.70 2.20 -1.26 -1.25 119.74 124.58 1vbj s LYS 8 Ca 0.20 0.02 -0.12 0.00 -0.36 0.00 0.00 55.97 55.71 1vbj s LYS 8 Cb -0.13 -3.82 0.23 0.00 -1.51 0.00 0.00 37.83 32.60 1vbj s LYS 8 CO 0.10 -0.75 1.06 -0.51 -0.36 0.00 0.00 175.35 174.89 1vbj s LEU 9 N 2.70 1.37 0.62 5.43 1.43 0.13 -4.84 118.68 125.51 1vbj s LEU 9 Ca 0.24 1.54 0.33 0.00 -1.03 0.00 0.00 54.13 55.21 1vbj s LEU 9 Cb -0.14 -3.61 1.91 0.00 0.03 0.00 0.00 46.19 44.38 1vbj s LEU 9 CO 0.15 -3.71 2.20 0.77 0.23 0.00 0.00 176.35 175.99 1vbj h SER 10 N -2.28 0.00 -0.64 2.29 4.64 -1.84 -1.65 113.55 114.07 1vbj h SER 10 Ca -0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 1vbj h SER 10 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1vbj h SER 10 CO 0.51 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.01 1vbj n ASN 11 N -3.52 5.16 0.00 4.97 6.94 -1.26 -4.92 115.26 122.62 1vbj n ASN 11 Ca -0.01 -2.61 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 1vbj n ASN 11 Cb 0.20 -0.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 1vbj n ASN 11 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1vbj n GLY 12 N 0.99 1.46 3.68 4.83 0.00 -0.62 -5.03 105.19 110.50 1vbj n GLY 12 Ca 0.27 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 1vbj n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vbj s VAL 13 N -2.41 3.65 -0.27 1.61 1.01 -1.26 -4.69 120.40 118.04 1vbj s VAL 13 Ca 0.00 0.97 -0.25 0.00 0.00 0.00 0.00 61.98 62.70 1vbj s VAL 13 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1vbj s VAL 13 CO 0.00 -0.03 0.86 -0.32 0.00 0.00 0.00 175.10 175.61 1vbj s MET 14 N 2.93 4.11 -0.19 2.72 1.75 -1.26 0.17 119.30 129.54 1vbj s MET 14 Ca 0.66 0.88 0.01 0.00 -1.25 0.00 0.00 55.69 56.00 1vbj s MET 14 Cb -0.32 -3.68 0.02 0.00 2.84 0.00 0.00 34.83 33.69 1vbj s MET 14 CO 0.27 -0.61 -0.19 1.41 -0.65 0.00 0.00 175.02 175.25 1vbj s MET 15 N 2.98 2.95 0.18 4.11 0.00 -0.38 -4.95 119.30 124.19 1vbj s MET 15 Ca 0.36 -0.86 -0.33 0.00 0.00 0.00 0.00 55.69 54.86 1vbj s MET 15 Cb -0.15 -2.60 -0.13 0.00 0.00 0.00 0.00 34.83 31.95 1vbj s MET 15 CO 0.09 -0.23 1.59 -2.30 0.00 0.00 0.00 175.02 174.17 1vbj n PRO 16 N 4.61 2.28 0.19 4.11 -0.02 -1.26 -0.85 135.00 144.06 1vbj n PRO 16 Ca -0.20 0.82 0.14 0.00 -2.02 0.00 0.00 63.50 62.24 1vbj n PRO 16 Cb 0.49 -2.60 0.63 0.00 -0.02 0.00 0.00 33.50 32.01 1vbj n PRO 16 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1vbj h VAL 17 N 3.60 0.00 -3.32 -1.45 -1.51 -1.18 -3.40 116.25 108.99 1vbj h VAL 17 Ca -0.45 -0.21 -0.66 0.00 -1.23 0.00 0.00 66.70 64.16 1vbj h VAL 17 Cb 1.24 0.96 -0.28 0.00 -2.13 0.00 0.00 31.29 31.08 1vbj h VAL 17 CO 0.89 0.00 -0.78 -0.22 -1.23 0.00 0.00 177.57 176.23 1vbj s LEU 18 N -5.00 2.61 0.13 4.19 2.96 -1.26 -0.48 118.68 121.82 1vbj s LEU 18 Ca 0.01 -0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1vbj s LEU 18 Cb 0.09 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 45.16 1vbj s LEU 18 CO 0.38 0.16 0.03 -0.83 -1.32 0.00 0.00 176.35 174.77 1vbj s GLY 19 N 0.38 0.97 -0.25 7.98 0.00 -0.16 -4.38 107.32 111.86 1vbj s GLY 19 Ca -0.12 -1.46 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 1vbj s GLY 19 CO 0.06 -1.39 0.06 -0.12 0.00 0.00 0.00 173.10 171.70 1vbj s PHE 20 N -3.95 3.07 0.20 1.90 5.36 0.24 -3.35 117.98 121.45 1vbj s PHE 20 Ca 0.22 -0.50 -0.20 0.00 -0.96 0.00 0.00 56.93 55.49 1vbj s PHE 20 Cb 0.07 -2.22 -0.08 0.00 -0.34 0.00 0.00 43.02 40.45 1vbj s PHE 20 CO 0.01 -0.39 0.71 0.20 -1.46 0.00 0.00 175.22 174.29 1vbj s GLY 21 N 1.60 2.64 -0.18 13.12 0.00 -0.87 -0.28 107.32 123.34 1vbj s GLY 21 Ca 0.06 0.16 0.15 0.00 0.00 0.00 0.00 44.72 45.09 1vbj s GLY 21 CO 0.03 0.53 1.26 1.03 0.00 0.00 0.00 173.10 175.95 1vbj n MET 22 N 0.90 1.73 -2.90 2.90 0.00 -0.78 -4.43 117.12 114.54 1vbj n MET 22 Ca -0.03 -2.91 -0.40 0.00 0.00 0.00 0.00 57.70 54.35 1vbj n MET 22 Cb 0.51 -1.64 -0.05 0.00 0.00 0.00 0.00 33.22 32.04 1vbj n MET 22 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 175.97 175.51 1vbj s TRP 23 N -3.02 3.78 -0.21 2.03 -0.00 -1.26 -3.50 118.94 116.76 1vbj s TRP 23 Ca 0.37 1.60 0.00 0.00 -0.00 0.00 0.00 56.10 58.07 1vbj s TRP 23 Cb 0.33 -2.90 0.00 0.00 -0.00 0.00 0.00 33.47 30.91 1vbj s TRP 23 CO 0.01 0.27 0.00 1.63 -0.00 0.00 0.00 176.95 178.86 1vbj n LYS 24 N 2.70 -0.21 -3.41 5.86 5.02 -1.26 -4.98 118.16 121.87 1vbj n LYS 24 Ca -0.01 0.44 -0.44 0.00 -2.02 0.00 0.00 58.31 56.28 1vbj n LYS 24 Cb 0.50 -3.93 -0.02 0.00 -0.02 0.00 0.00 35.03 31.55 1vbj n LYS 24 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1vbj s LEU 25 N -0.44 6.32 -0.27 -0.35 2.96 -1.23 -5.03 118.68 120.64 1vbj s LEU 25 Ca 0.00 -3.18 -0.38 0.00 -0.22 0.00 0.00 54.13 50.35 1vbj s LEU 25 Cb 0.00 -2.14 -0.17 0.00 0.50 0.00 0.00 46.19 44.38 1vbj s LEU 25 CO 0.00 -0.40 1.21 0.00 -1.32 0.00 0.00 176.35 175.84 1vbj n GLN 26 N 3.24 0.00 -1.63 1.98 6.02 -1.26 -4.45 117.38 121.28 1vbj n GLN 26 Ca 0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.79 1vbj n GLN 26 Cb 0.42 -1.29 0.05 0.00 1.02 0.00 0.00 30.24 30.44 1vbj n GLN 26 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1vbj n ASP 27 N 2.65 1.02 0.00 1.08 2.03 -1.26 -3.03 116.55 119.04 1vbj n ASP 27 Ca 0.23 0.86 0.00 0.00 0.52 0.00 0.00 54.79 56.40 1vbj n ASP 27 Cb -0.01 -1.40 0.00 0.00 -0.72 0.00 0.00 41.12 38.99 1vbj n ASP 27 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1vbj n GLY 28 N 1.22 1.21 0.03 0.27 0.00 -1.26 -4.77 105.19 101.90 1vbj n GLY 28 Ca 0.13 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.12 1vbj n GLY 28 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1vbj h ASN 29 N 0.00 0.00 -0.91 1.61 -1.24 -1.99 -3.24 115.58 109.82 1vbj h ASN 29 Ca 0.00 0.00 0.24 0.00 0.71 0.00 0.00 56.30 57.25 1vbj h ASN 29 Cb 0.00 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 38.89 1vbj h ASN 29 CO 0.00 0.35 0.08 -0.08 -1.29 0.00 0.00 177.43 176.49 1vbj h GLU 30 N -0.63 0.08 -0.07 6.67 4.81 -1.86 -2.37 114.58 121.21 1vbj h GLU 30 Ca 0.00 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 1vbj h GLU 30 Cb 0.07 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.44 1vbj h GLU 30 CO 0.00 0.05 -0.37 0.00 -0.73 0.00 0.00 179.01 177.96 1vbj h ALA 31 N 1.87 0.14 -0.41 2.92 0.00 -1.73 -2.93 119.26 119.11 1vbj h ALA 31 Ca 0.55 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1vbj h ALA 31 Cb 1.10 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1vbj h ALA 31 CO -0.79 0.23 0.13 1.49 0.00 0.00 0.00 179.25 180.31 1vbj h GLU 32 N -0.11 0.59 0.09 0.00 4.81 -1.47 -2.12 114.58 116.37 1vbj h GLU 32 Ca -0.03 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1vbj h GLU 32 Cb 1.02 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.30 1vbj h GLU 32 CO 0.08 0.52 -0.04 1.79 -0.73 0.00 0.00 179.01 180.63 1vbj h THR 33 N 0.59 1.12 -0.36 0.32 1.35 -1.53 -2.85 112.91 111.54 1vbj h THR 33 Ca 0.14 -1.37 0.07 0.00 -0.55 0.00 0.00 66.41 64.70 1vbj h THR 33 Cb 0.18 1.92 -0.07 0.00 -1.73 0.00 0.00 68.15 68.46 1vbj h THR 33 CO -0.01 0.31 -0.07 0.00 -0.25 0.00 0.00 175.52 175.50 1vbj h ALA 34 N -0.09 0.26 -0.75 6.62 0.00 -1.48 0.18 119.26 124.01 1vbj h ALA 34 Ca -0.01 0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1vbj h ALA 34 Cb 0.59 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1vbj h ALA 34 CO 0.02 -0.44 0.49 1.15 0.00 0.00 0.00 179.25 180.47 1vbj h THR 35 N 0.02 0.93 -0.11 0.00 2.02 -1.48 0.91 112.91 115.20 1vbj h THR 35 Ca 0.17 -0.22 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 1vbj h THR 35 Cb 0.26 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1vbj h THR 35 CO -0.35 0.12 -0.59 -0.03 0.37 0.00 0.00 175.52 175.03 1vbj h MET 36 N 0.65 0.36 0.00 6.66 -1.53 -0.64 -2.45 114.93 117.97 1vbj h MET 36 Ca 0.35 -0.24 -0.06 0.00 -3.44 0.00 0.00 59.70 56.31 1vbj h MET 36 Cb 0.48 0.03 -0.01 0.00 -0.55 0.00 0.00 31.60 31.56 1vbj h MET 36 CO -0.13 0.85 -0.29 -1.49 0.14 0.00 0.00 176.91 175.99 1vbj h TRP 37 N 0.27 0.00 0.12 1.39 6.55 0.17 -2.50 115.95 121.95 1vbj h TRP 37 Ca -0.00 0.00 -0.17 0.00 0.95 0.00 0.00 58.89 59.67 1vbj h TRP 37 Cb 1.11 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.43 1vbj h TRP 37 CO 0.03 0.29 -0.73 0.00 -1.05 0.00 0.00 178.44 176.98 1vbj h ALA 38 N 1.71 -0.08 -0.51 1.49 0.00 -1.04 -3.03 119.26 117.80 1vbj h ALA 38 Ca -0.00 -0.67 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1vbj h ALA 38 Cb 0.61 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1vbj h ALA 38 CO 0.04 0.34 0.24 0.82 0.00 0.00 0.00 179.25 180.69 1vbj h ILE 39 N -0.42 1.18 0.00 0.00 2.04 -1.41 -0.06 117.51 118.84 1vbj h ILE 39 Ca -0.13 -0.51 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1vbj h ILE 39 Cb 1.57 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1vbj h ILE 39 CO 0.14 0.21 0.00 1.17 0.00 0.00 0.00 178.15 179.67 1vbj n LYS 40 N -4.37 0.23 0.00 2.37 4.81 -0.95 -2.50 118.16 117.75 1vbj n LYS 40 Ca 0.04 0.31 0.12 0.00 -0.87 0.00 0.00 58.31 57.91 1vbj n LYS 40 Cb 0.13 -1.83 0.19 0.00 0.02 0.00 0.00 35.03 33.54 1vbj n LYS 40 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1vbj n SER 41 N -2.24 1.24 0.00 3.14 7.64 -0.12 -4.90 113.62 118.38 1vbj n SER 41 Ca 0.04 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 58.93 1vbj n SER 41 Cb 0.33 0.35 0.00 0.00 -1.01 0.00 0.00 64.21 63.89 1vbj n SER 41 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vbj n GLY 42 N 1.41 1.70 3.75 0.23 0.00 -0.94 -4.80 105.19 106.53 1vbj n GLY 42 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1vbj n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vbj s TYR 43 N -2.04 2.80 -0.07 1.61 2.02 -0.69 -0.99 117.35 119.99 1vbj s TYR 43 Ca 0.00 0.83 0.11 0.00 -0.37 0.00 0.00 57.07 57.63 1vbj s TYR 43 Cb 0.00 -4.02 0.17 0.00 -0.40 0.00 0.00 41.96 37.71 1vbj s TYR 43 CO 0.00 -3.41 1.09 0.54 -1.57 0.00 0.00 175.55 172.20 1vbj n ARG 44 N 2.21 0.68 -3.71 -0.62 5.12 -1.26 -4.30 116.66 114.79 1vbj n ARG 44 Ca 0.08 -1.89 -0.17 0.00 -1.93 0.00 0.00 57.85 53.94 1vbj n ARG 44 Cb 0.38 -1.01 -0.17 0.00 -1.16 0.00 0.00 32.46 30.50 1vbj n ARG 44 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1vbj s HIS 45 N -1.53 -0.01 -0.06 -1.55 2.46 -1.26 -0.12 115.29 113.23 1vbj s HIS 45 Ca 0.18 0.29 0.03 0.00 0.47 0.00 0.00 55.06 56.04 1vbj s HIS 45 Cb 0.16 -0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.28 1vbj s HIS 45 CO 0.01 -0.17 -0.15 -1.50 -2.47 0.00 0.00 174.74 170.46 1vbj s ILE 46 N 1.75 1.31 -0.25 0.89 2.07 0.97 -0.59 121.20 127.34 1vbj s ILE 46 Ca -0.01 -0.61 -0.04 0.00 -1.41 0.00 0.00 60.65 58.58 1vbj s ILE 46 Cb -0.12 -1.15 0.01 0.00 0.13 0.00 0.00 42.46 41.32 1vbj s ILE 46 CO -0.04 0.39 -0.02 -0.62 -1.91 0.00 0.00 174.94 172.74 1vbj s ASP 47 N 0.34 4.51 0.00 4.50 2.15 0.61 -1.23 116.67 127.56 1vbj s ASP 47 Ca -0.10 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.23 1vbj s ASP 47 Cb -0.14 -1.75 0.00 0.00 -0.30 0.00 0.00 42.92 40.74 1vbj s ASP 47 CO 0.03 -0.10 0.00 0.41 -0.17 0.00 0.00 175.17 175.34 1vbj n THR 48 N 4.77 0.00 -3.62 1.71 -1.04 0.67 -1.86 114.28 114.91 1vbj n THR 48 Ca -0.17 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.81 1vbj n THR 48 Cb 0.49 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.98 1vbj n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1vbj s ALA 49 N -2.00 -2.14 0.07 2.41 0.00 -1.26 -3.49 121.76 115.35 1vbj s ALA 49 Ca 0.00 1.77 -0.30 0.00 0.00 0.00 0.00 51.96 53.43 1vbj s ALA 49 Cb 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 23.12 22.63 1vbj s ALA 49 CO 0.00 -0.56 1.65 0.00 0.00 0.00 0.00 175.76 176.85 1vbj h ALA 50 N 2.00 -0.63 -0.38 0.00 0.00 -1.93 -2.70 119.26 115.63 1vbj h ALA 50 Ca -0.05 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.83 1vbj h ALA 50 Cb 1.15 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1vbj h ALA 50 CO 0.21 -0.85 0.60 0.97 0.00 0.00 0.00 179.25 180.18 1vbj h ILE 51 N -0.64 0.18 0.00 0.00 -0.00 -1.97 0.24 117.51 115.32 1vbj h ILE 51 Ca -0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 64.86 64.68 1vbj h ILE 51 Cb 0.49 0.49 -0.02 0.00 -0.00 0.00 0.00 36.82 37.78 1vbj h ILE 51 CO 0.11 0.00 -0.56 1.88 -0.00 0.00 0.00 178.15 179.57 1vbj h TYR 52 N 0.00 0.00 -0.03 2.19 0.05 -1.88 -3.47 116.97 113.82 1vbj h TYR 52 Ca 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1vbj h TYR 52 Cb 1.37 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.10 1vbj h TYR 52 CO 0.00 0.56 -0.01 1.63 -1.05 0.00 0.00 178.16 179.29 1vbj n LYS 53 N -3.63 -0.48 -0.21 4.88 4.76 0.85 -4.83 118.16 119.49 1vbj n LYS 53 Ca -0.01 0.20 0.09 0.00 -2.87 0.00 0.00 58.31 55.73 1vbj n LYS 53 Cb 0.62 -3.62 0.17 0.00 -1.84 0.00 0.00 35.03 30.36 1vbj n LYS 53 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1vbj n ASN 54 N -0.06 2.65 0.32 4.39 0.23 -1.26 -4.56 115.26 116.96 1vbj n ASN 54 Ca -0.01 -3.15 0.20 0.00 -0.53 0.00 0.00 54.58 51.09 1vbj n ASN 54 Cb 0.13 -0.47 1.06 0.00 -2.08 0.00 0.00 39.78 38.42 1vbj n ASN 54 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1vbj h GLU 55 N 0.49 0.00 0.20 -3.83 5.08 -1.89 -1.79 114.58 112.84 1vbj h GLU 55 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1vbj h GLU 55 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1vbj h GLU 55 CO 0.06 0.01 -0.10 0.93 -1.00 0.00 0.00 179.01 178.91 1vbj h GLU 56 N 0.00 -0.26 0.00 2.33 5.08 -1.82 -1.37 114.58 118.53 1vbj h GLU 56 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1vbj h GLU 56 Cb 0.12 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1vbj h GLU 56 CO 0.00 0.13 0.00 -1.13 -1.00 0.00 0.00 179.01 177.01 1vbj n SER 57 N -4.98 0.25 0.04 1.42 3.41 -1.00 -2.44 113.62 110.32 1vbj n SER 57 Ca -0.08 0.56 -0.22 0.00 -0.26 0.00 0.00 58.87 58.87 1vbj n SER 57 Cb 0.26 -0.62 -0.14 0.00 -0.26 0.00 0.00 64.21 63.45 1vbj n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vbj h ALA 58 N 2.38 0.22 0.00 7.33 0.00 -1.24 -3.16 119.26 124.79 1vbj h ALA 58 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1vbj h ALA 58 Cb 0.27 0.52 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1vbj h ALA 58 CO 0.00 1.02 0.00 0.78 0.00 0.00 0.00 179.25 181.05 1vbj h GLY 59 N 0.55 0.00 0.08 0.00 0.00 -0.95 -2.76 103.07 99.99 1vbj h GLY 59 Ca -0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1vbj h GLY 59 CO 0.12 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.87 1vbj h ARG 60 N 0.00 -0.00 -0.53 4.80 3.08 -1.57 -3.18 114.38 116.98 1vbj h ARG 60 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 1vbj h ARG 60 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1vbj h ARG 60 CO 0.00 0.90 0.35 0.00 -1.07 0.00 0.00 179.97 180.15 1vbj h ALA 61 N 0.05 1.86 -0.71 0.04 0.00 -1.50 -0.29 119.26 118.71 1vbj h ALA 61 Ca -0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1vbj h ALA 61 Cb 0.90 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1vbj h ALA 61 CO 0.00 0.05 0.30 0.82 0.00 0.00 0.00 179.25 180.42 1vbj h ILE 62 N 0.50 1.24 0.05 0.00 2.04 -1.55 0.12 117.51 119.91 1vbj h ILE 62 Ca 0.23 -0.74 -0.22 0.00 1.00 0.00 0.00 64.86 65.13 1vbj h ILE 62 Cb 0.27 0.41 0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1vbj h ILE 62 CO -0.06 0.30 -0.88 0.00 0.00 0.00 0.00 178.15 177.51 1vbj h ALA 63 N 1.14 0.03 0.00 1.87 0.00 -1.29 -3.33 119.26 117.69 1vbj h ALA 63 Ca 0.24 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 1vbj h ALA 63 Cb 0.18 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1vbj h ALA 63 CO -0.02 0.50 -0.63 0.66 0.00 0.00 0.00 179.25 179.75 1vbj h SER 64 N 0.03 0.00 -4.25 0.00 4.64 -1.04 -3.45 113.55 109.48 1vbj h SER 64 Ca -0.12 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.67 1vbj h SER 64 Cb 1.59 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 63.84 1vbj h SER 64 CO 0.17 0.63 0.30 0.00 -0.87 0.00 0.00 176.83 177.07 1vbj h GLY 66 N -1.14 0.00 -4.43 0.00 0.00 -1.89 -3.46 103.07 92.16 1vbj h GLY 66 Ca -0.45 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.35 1vbj h GLY 66 CO 0.47 0.00 0.50 0.14 0.00 0.00 0.00 176.54 177.64 1vbj s VAL 67 N -3.18 4.26 1.07 4.60 1.01 -1.26 -5.03 120.40 121.87 1vbj s VAL 67 Ca 0.09 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 1vbj s VAL 67 Cb 0.10 -4.05 0.23 0.00 0.00 0.00 0.00 36.38 32.66 1vbj s VAL 67 CO 0.59 0.14 1.07 -2.16 0.00 0.00 0.00 175.10 174.74 1vbj s PRO 68 N 0.94 -0.15 0.13 2.72 0.04 -1.26 -4.94 135.00 132.49 1vbj s PRO 68 Ca 0.56 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 1vbj s PRO 68 Cb -0.27 -1.63 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 1vbj s PRO 68 CO 0.29 -3.26 1.59 0.00 0.04 0.00 0.00 177.00 175.66 1vbj h ARG 69 N -2.30 0.76 0.00 4.56 2.47 -1.94 -2.93 114.38 115.00 1vbj h ARG 69 Ca -0.55 -0.24 0.00 0.00 -1.26 0.00 0.00 59.98 57.93 1vbj h ARG 69 Cb 1.31 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.56 1vbj h ARG 69 CO 0.49 0.82 0.03 -0.85 0.56 0.00 0.00 179.97 181.02 1vbj n GLU 70 N -4.41 0.13 -0.26 0.04 0.28 -1.26 -1.18 120.64 113.98 1vbj n GLU 70 Ca -0.00 0.63 0.08 0.00 -0.16 0.00 0.00 57.16 57.71 1vbj n GLU 70 Cb 0.29 -1.97 0.22 0.00 1.43 0.00 0.00 31.44 31.40 1vbj n GLU 70 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1vbj n GLU 71 N -2.23 2.87 -4.91 3.44 1.02 -1.11 -4.97 120.64 114.75 1vbj n GLU 71 Ca -0.01 -2.30 -0.30 0.00 -0.02 0.00 0.00 57.16 54.53 1vbj n GLU 71 Cb 0.07 -1.40 -0.15 0.00 -0.02 0.00 0.00 31.44 29.94 1vbj n GLU 71 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1vbj s LEU 72 N -1.09 2.17 -0.27 -4.62 1.43 -0.32 -4.82 118.68 111.15 1vbj s LEU 72 Ca 0.33 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1vbj s LEU 72 Cb 0.18 -1.29 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1vbj s LEU 72 CO 0.21 0.26 -0.04 0.12 0.23 0.00 0.00 176.35 177.13 1vbj s PHE 73 N -0.81 3.17 -0.16 0.29 5.36 0.83 -4.96 117.98 121.70 1vbj s PHE 73 Ca 0.12 -1.76 -0.01 0.00 -0.96 0.00 0.00 56.93 54.31 1vbj s PHE 73 Cb -0.10 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.50 1vbj s PHE 73 CO 0.02 -0.78 -0.10 0.08 -1.46 0.00 0.00 175.22 172.99 1vbj s VAL 74 N 1.28 3.19 -0.05 3.12 1.01 -1.26 -0.02 120.40 127.66 1vbj s VAL 74 Ca -0.03 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 61.42 1vbj s VAL 74 Cb -0.18 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1vbj s VAL 74 CO -0.03 0.50 -0.23 -0.89 0.00 0.00 0.00 175.10 174.44 1vbj s THR 75 N 0.68 2.23 0.21 3.92 2.01 -0.37 -2.14 115.64 122.19 1vbj s THR 75 Ca -0.05 -1.02 0.02 0.00 0.31 0.00 0.00 61.69 60.95 1vbj s THR 75 Cb -0.15 -1.81 -0.05 0.00 0.01 0.00 0.00 72.50 70.50 1vbj s THR 75 CO 0.02 0.57 0.04 -0.89 -0.69 0.00 0.00 174.62 173.68 1vbj s THR 76 N -0.37 0.65 0.10 -0.82 2.01 -0.77 -0.24 115.64 116.21 1vbj s THR 76 Ca 0.03 -1.99 0.05 0.00 0.31 0.00 0.00 61.69 60.08 1vbj s THR 76 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1vbj s THR 76 CO 0.02 -0.28 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.00 1vbj s LYS 77 N -3.96 0.92 -0.31 4.92 1.02 -1.23 -1.98 119.74 119.13 1vbj s LYS 77 Ca 0.30 -1.16 -0.18 0.00 0.02 0.00 0.00 55.97 54.95 1vbj s LYS 77 Cb 0.07 -0.76 -0.01 0.00 -0.52 0.00 0.00 37.83 36.61 1vbj s LYS 77 CO 0.08 0.14 0.53 -1.17 -0.92 0.00 0.00 175.35 174.02 1vbj s LEU 78 N -2.32 4.20 0.64 3.17 2.96 -0.42 -3.13 118.68 123.77 1vbj s LEU 78 Ca 0.06 0.25 -0.16 0.00 -0.22 0.00 0.00 54.13 54.06 1vbj s LEU 78 Cb -0.05 -2.65 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 1vbj s LEU 78 CO 0.02 -0.41 1.12 0.86 -1.32 0.00 0.00 176.35 176.61 1vbj s TRP 79 N 2.41 2.61 0.16 5.38 -0.00 -1.26 -2.67 118.94 125.56 1vbj s TRP 79 Ca 0.21 1.55 -0.18 0.00 -0.00 0.00 0.00 56.10 57.68 1vbj s TRP 79 Cb -0.15 -3.20 0.07 0.00 -0.00 0.00 0.00 33.47 30.18 1vbj s TRP 79 CO 0.12 -1.70 1.68 -0.91 -0.00 0.00 0.00 176.95 176.13 1vbj h ASN 80 N 0.21 -0.33 0.00 5.86 2.35 -1.88 -1.61 115.58 120.18 1vbj h ASN 80 Ca -0.47 0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1vbj h ASN 80 Cb 1.25 0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.84 1vbj h ASN 80 CO 0.54 -0.12 0.02 -1.54 -1.65 0.00 0.00 177.43 174.69 1vbj n SER 81 N -5.28 0.00 -0.27 5.81 3.41 -1.19 -1.52 113.62 114.58 1vbj n SER 81 Ca 0.01 0.16 0.03 0.00 -0.26 0.00 0.00 58.87 58.82 1vbj n SER 81 Cb 0.20 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 1vbj n SER 81 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1vbj n ASP 82 N -1.13 2.43 -4.77 4.04 8.00 -0.61 -5.04 116.55 119.49 1vbj n ASP 82 Ca 0.00 -2.11 -0.39 0.00 0.71 0.00 0.00 54.79 53.00 1vbj n ASP 82 Cb 0.02 -0.13 -0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1vbj n ASP 82 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1vbj s GLN 83 N -1.20 3.87 0.00 -1.24 -0.21 -0.57 -2.60 119.66 117.71 1vbj s GLN 83 Ca 0.12 2.15 0.00 0.00 0.02 0.00 0.00 55.36 57.65 1vbj s GLN 83 Cb 0.08 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.40 1vbj s GLN 83 CO 0.06 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.07 1vbj n GLY 84 N 0.64 4.29 0.36 3.09 0.00 -1.26 -4.76 105.19 107.55 1vbj n GLY 84 Ca 0.05 -1.26 -0.05 0.00 0.00 0.00 0.00 46.02 44.75 1vbj n GLY 84 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1vbj h TYR 85 N 0.00 -1.00 0.03 1.61 3.20 -1.88 0.11 116.97 119.04 1vbj h TYR 85 Ca 0.00 0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 1vbj h TYR 85 Cb 0.00 0.53 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1vbj h TYR 85 CO 0.00 -0.39 -0.01 1.49 -1.64 0.00 0.00 178.16 177.61 1vbj h GLU 86 N -0.16 -0.03 -0.62 1.82 4.57 -1.93 -2.86 114.58 115.37 1vbj h GLU 86 Ca 0.23 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.53 1vbj h GLU 86 Cb 0.56 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.12 1vbj h GLU 86 CO -0.71 0.44 0.42 0.77 -1.18 0.00 0.00 179.01 178.76 1vbj h SER 87 N -0.52 0.34 0.01 1.04 0.02 -1.72 -1.65 113.55 111.07 1vbj h SER 87 Ca -0.00 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1vbj h SER 87 Cb 0.49 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1vbj h SER 87 CO 0.01 0.20 -0.00 0.71 -1.14 0.00 0.00 176.83 176.60 1vbj h THR 88 N 0.37 1.51 -0.90 -2.27 1.35 -0.71 0.23 112.91 112.48 1vbj h THR 88 Ca 0.29 -1.60 0.12 0.00 -0.55 0.00 0.00 66.41 64.68 1vbj h THR 88 Cb 0.65 2.58 -0.07 0.00 -1.73 0.00 0.00 68.15 69.58 1vbj h THR 88 CO -0.08 0.41 0.58 -0.07 -0.25 0.00 0.00 175.52 176.11 1vbj h LEU 89 N -0.71 0.73 -0.10 3.87 3.38 -1.25 0.23 115.31 121.48 1vbj h LEU 89 Ca -0.00 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 1vbj h LEU 89 Cb 0.68 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.33 1vbj h LEU 89 CO 0.00 0.40 -0.54 0.28 0.09 0.00 0.00 178.44 178.66 1vbj h SER 90 N 0.79 0.65 -0.23 -0.43 0.02 -1.29 -2.86 113.55 110.19 1vbj h SER 90 Ca 0.44 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1vbj h SER 90 Cb 0.58 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1vbj h SER 90 CO -0.20 1.19 0.10 0.00 -1.14 0.00 0.00 176.83 176.79 1vbj h ALA 91 N 0.47 1.65 -0.24 3.77 0.00 0.64 -2.27 119.26 123.27 1vbj h ALA 91 Ca -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1vbj h ALA 91 Cb 1.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1vbj h ALA 91 CO 0.11 0.28 0.02 0.35 0.00 0.00 0.00 179.25 180.01 1vbj h PHE 92 N 0.40 0.45 -0.33 0.00 3.57 -0.56 -2.82 116.94 117.64 1vbj h PHE 92 Ca 0.10 -0.07 0.07 0.00 3.53 0.00 0.00 57.97 61.60 1vbj h PHE 92 Cb 0.11 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 38.64 1vbj h PHE 92 CO 0.00 0.56 -0.27 0.93 -2.23 0.00 0.00 178.31 177.30 1vbj h GLU 93 N 0.21 -0.23 -0.98 1.11 4.39 -1.18 0.27 114.58 118.17 1vbj h GLU 93 Ca 0.07 0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.88 1vbj h GLU 93 Cb 0.36 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.99 1vbj h GLU 93 CO 0.01 -0.15 0.63 -0.22 -1.16 0.00 0.00 179.01 178.12 1vbj h LYS 94 N -0.24 1.01 0.59 2.33 3.64 -1.49 -0.03 116.57 122.39 1vbj h LYS 94 Ca 0.16 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 1vbj h LYS 94 Cb 0.50 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1vbj h LYS 94 CO -0.47 0.67 -0.28 0.77 -2.27 0.00 0.00 179.45 177.87 1vbj h SER 95 N 1.04 -0.67 -0.20 4.20 0.02 -0.65 -0.49 113.55 116.80 1vbj h SER 95 Ca 0.46 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1vbj h SER 95 Cb 0.35 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1vbj h SER 95 CO -0.21 -0.28 0.16 -0.29 -1.14 0.00 0.00 176.83 175.07 1vbj h ILE 96 N -1.17 0.73 -0.02 3.27 6.09 -0.47 0.10 117.51 126.04 1vbj h ILE 96 Ca -0.08 0.00 -0.26 0.00 -1.37 0.00 0.00 64.86 63.15 1vbj h ILE 96 Cb 0.64 0.88 0.02 0.00 0.47 0.00 0.00 36.82 38.83 1vbj h ILE 96 CO 0.13 0.00 -1.01 0.11 -3.07 0.00 0.00 178.15 174.31 1vbj h LYS 97 N 0.00 0.69 -0.12 2.19 1.57 -0.96 -2.68 116.57 117.26 1vbj h LYS 97 Ca 0.09 -0.72 -0.13 0.00 -1.87 0.00 0.00 60.65 58.02 1vbj h LYS 97 Cb 0.41 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1vbj h LYS 97 CO -0.00 1.30 -0.48 0.87 -0.57 0.00 0.00 179.45 180.58 1vbj h LYS 98 N 0.40 0.31 0.00 3.15 1.57 0.59 -2.19 116.57 120.40 1vbj h LYS 98 Ca -0.12 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1vbj h LYS 98 Cb 1.66 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1vbj h LYS 98 CO 0.20 0.73 0.00 1.28 -0.57 0.00 0.00 179.45 181.08 1vbj n LEU 99 N -3.97 0.00 -1.46 2.94 4.77 -0.14 -4.34 117.00 114.80 1vbj n LEU 99 Ca -0.02 0.02 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1vbj n LEU 99 Cb 0.53 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 1vbj n LEU 99 CO 0.43 -0.00 -0.12 0.61 -1.33 0.00 0.00 177.39 176.98 1vbj n GLY 100 N 0.79 1.04 3.97 -0.72 0.00 -0.82 -4.44 105.19 104.99 1vbj n GLY 100 Ca 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.02 1vbj n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vbj s LEU 101 N -3.82 4.12 -0.10 0.99 1.43 -1.02 -5.02 118.68 115.25 1vbj s LEU 101 Ca 0.00 0.10 0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1vbj s LEU 101 Cb 0.00 -2.94 -0.24 0.00 0.03 0.00 0.00 46.19 43.04 1vbj s LEU 101 CO 0.00 -0.25 0.43 -0.62 0.23 0.00 0.00 176.35 176.13 1vbj n GLU 102 N -1.59 0.66 -4.01 1.70 -0.58 -1.26 -4.65 120.64 110.90 1vbj n GLU 102 Ca -0.05 0.20 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 1vbj n GLU 102 Cb 0.57 -1.70 -0.08 0.00 -0.57 0.00 0.00 31.44 29.66 1vbj n GLU 102 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 1vbj s TYR 103 N -2.56 0.53 0.04 -0.32 -0.85 -1.26 -4.88 117.35 108.04 1vbj s TYR 103 Ca -0.10 -0.90 0.08 0.00 -0.52 0.00 0.00 57.07 55.64 1vbj s TYR 103 Cb 0.07 -0.19 -0.03 0.00 0.38 0.00 0.00 41.96 42.20 1vbj s TYR 103 CO 0.81 -0.65 -0.24 0.08 -1.52 0.00 0.00 175.55 174.03 1vbj s VAL 104 N -3.99 1.90 -0.04 -3.49 1.01 -0.17 -4.99 120.40 110.63 1vbj s VAL 104 Ca 0.19 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 1vbj s VAL 104 Cb 0.05 -1.63 -0.23 0.00 0.00 0.00 0.00 36.38 34.56 1vbj s VAL 104 CO -0.00 0.31 1.05 0.44 0.00 0.00 0.00 175.10 176.90 1vbj h ASP 105 N 4.89 0.27 -3.59 3.32 3.32 -1.75 0.72 116.42 123.60 1vbj h ASP 105 Ca -0.44 -0.76 -0.34 0.00 0.02 0.00 0.00 57.03 55.51 1vbj h ASP 105 Cb 1.15 -0.08 -0.32 0.00 0.22 0.00 0.00 39.33 40.29 1vbj h ASP 105 CO 0.44 0.99 -0.75 -0.22 -1.72 0.00 0.00 179.24 177.98 1vbj s LEU 106 N -8.52 1.42 -0.09 1.55 0.20 -0.91 -0.37 118.68 111.96 1vbj s LEU 106 Ca -0.15 -0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.65 1vbj s LEU 106 Cb 0.01 -0.23 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 1vbj s LEU 106 CO 0.75 -0.06 -0.17 -0.47 -0.29 0.00 0.00 176.35 176.12 1vbj s TYR 107 N 0.70 2.01 0.08 5.38 5.04 -1.05 -1.85 117.35 127.65 1vbj s TYR 107 Ca -0.07 -0.85 0.09 0.00 -2.44 0.00 0.00 57.07 53.79 1vbj s TYR 107 Cb -0.10 -1.41 -0.03 0.00 0.35 0.00 0.00 41.96 40.77 1vbj s TYR 107 CO -0.01 -0.40 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.05 1vbj s LEU 108 N 0.69 2.23 -0.31 6.97 1.43 -0.84 -0.80 118.68 128.05 1vbj s LEU 108 Ca -0.13 -0.63 -0.29 0.00 -1.03 0.00 0.00 54.13 52.06 1vbj s LEU 108 Cb -0.16 -1.07 0.02 0.00 0.03 0.00 0.00 46.19 45.01 1vbj s LEU 108 CO 0.03 0.16 1.08 -0.63 0.23 0.00 0.00 176.35 177.22 1vbj s ILE 109 N -0.95 4.51 0.26 -0.59 1.01 -1.12 -1.31 121.20 123.02 1vbj s ILE 109 Ca 0.09 1.74 -0.05 0.00 0.00 0.00 0.00 60.65 62.44 1vbj s ILE 109 Cb -0.10 -4.41 0.24 0.00 0.01 0.00 0.00 42.46 38.21 1vbj s ILE 109 CO 0.03 -0.47 1.91 -0.74 0.00 0.00 0.00 174.94 175.68 1vbj h HIS 110 N 8.09 1.17 -3.36 3.97 2.76 -1.79 0.27 115.15 126.26 1vbj h HIS 110 Ca -0.21 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.81 1vbj h HIS 110 Cb 1.06 -0.39 -0.23 0.00 1.55 0.00 0.00 27.41 29.40 1vbj h HIS 110 CO 0.83 0.77 -0.48 -1.58 -1.30 0.00 0.00 177.93 176.17 1vbj s TRP 111 N -5.92 -0.09 0.16 5.26 0.52 -1.26 -4.40 118.94 113.21 1vbj s TRP 111 Ca -0.12 0.19 -0.13 0.00 0.02 0.00 0.00 56.10 56.06 1vbj s TRP 111 Cb 0.17 0.02 0.06 0.00 -1.15 0.00 0.00 33.47 32.57 1vbj s TRP 111 CO 0.81 -0.21 1.75 -1.35 0.02 0.00 0.00 176.95 177.97 1vbj h PRO 112 N 4.96 0.77 0.00 4.98 0.11 -1.76 -3.48 132.00 137.59 1vbj h PRO 112 Ca -0.28 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1vbj h PRO 112 Cb 1.19 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1vbj h PRO 112 CO 0.40 0.64 0.00 0.41 -0.21 0.00 0.00 178.00 179.23 1vbj n GLY 113 N -0.92 1.80 0.66 -0.55 0.00 -1.26 -4.28 105.19 100.63 1vbj n GLY 113 Ca 0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 46.02 45.48 1vbj n GLY 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1vbj n LYS 114 N 13.02 0.04 -1.47 1.61 4.76 -1.26 -4.99 118.16 129.87 1vbj n LYS 114 Ca 0.00 0.01 0.02 0.00 -2.87 0.00 0.00 58.31 55.48 1vbj n LYS 114 Cb 0.00 -0.31 0.01 0.00 -1.84 0.00 0.00 35.03 32.89 1vbj n LYS 114 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1vbj n ASP 115 N -2.77 0.70 -0.00 4.39 5.68 -1.26 -4.88 116.55 118.41 1vbj n ASP 115 Ca -0.01 -2.00 0.02 0.00 -0.50 0.00 0.00 54.79 52.30 1vbj n ASP 115 Cb 0.04 -0.21 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 1vbj n ASP 115 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1vbj n LYS 116 N 0.38 2.24 0.28 0.11 5.02 -1.26 -4.65 118.16 120.29 1vbj n LYS 116 Ca 0.01 -0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 1vbj n LYS 116 Cb 1.07 -0.95 0.82 0.00 -0.02 0.00 0.00 35.03 35.95 1vbj n LYS 116 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1vbj h PHE 117 N 0.00 0.00 -0.35 2.13 -0.00 -1.90 0.78 116.94 117.60 1vbj h PHE 117 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.97 57.87 1vbj h PHE 117 Cb 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.11 1vbj h PHE 117 CO 0.00 0.03 -0.17 0.82 -0.00 0.00 0.00 178.31 178.98 1vbj h ILE 118 N 0.00 1.29 -0.15 0.88 5.03 -1.93 -0.85 117.51 121.77 1vbj h ILE 118 Ca -0.00 -1.29 -0.15 0.00 -0.12 0.00 0.00 64.86 63.30 1vbj h ILE 118 Cb 0.06 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 35.22 1vbj h ILE 118 CO 0.00 0.42 -0.48 -0.78 -0.68 0.00 0.00 178.15 176.64 1vbj h ASP 119 N 0.52 0.68 0.24 1.72 3.58 -1.53 -3.05 116.42 118.58 1vbj h ASP 119 Ca 0.08 -0.60 -0.06 0.00 0.42 0.00 0.00 57.03 56.87 1vbj h ASP 119 Cb 0.71 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1vbj h ASP 119 CO 0.05 1.16 -0.27 0.71 -2.88 0.00 0.00 179.24 178.01 1vbj h THR 120 N 0.24 1.21 0.00 2.25 1.35 -0.89 -2.44 112.91 114.64 1vbj h THR 120 Ca -0.02 -1.01 -0.09 0.00 -0.55 0.00 0.00 66.41 64.75 1vbj h THR 120 Cb 1.10 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1vbj h THR 120 CO 0.10 0.29 -0.43 -0.25 -0.25 0.00 0.00 175.52 174.98 1vbj h TRP 121 N 0.05 0.00 -0.33 4.73 2.91 -1.11 -2.36 115.95 119.84 1vbj h TRP 121 Ca 0.01 0.00 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1vbj h TRP 121 Cb 0.52 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.15 1vbj h TRP 121 CO 0.00 0.43 0.10 0.87 -1.03 0.00 0.00 178.44 178.82 1vbj h LYS 122 N 0.00 0.47 -0.19 2.65 1.57 -1.33 -1.70 116.57 118.04 1vbj h LYS 122 Ca -0.00 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.57 1vbj h LYS 122 Cb 0.82 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1vbj h LYS 122 CO 0.06 0.42 -0.42 0.00 -0.57 0.00 0.00 179.45 178.94 1vbj h ALA 123 N 1.65 0.31 -0.71 3.86 0.00 -1.47 -3.00 119.26 119.90 1vbj h ALA 123 Ca 0.11 -0.46 0.11 0.00 0.00 0.00 0.00 54.91 54.68 1vbj h ALA 123 Cb 0.15 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 1vbj h ALA 123 CO -0.01 0.43 0.31 0.74 0.00 0.00 0.00 179.25 180.72 1vbj h PHE 124 N 0.31 0.53 0.00 0.00 0.05 -0.96 0.67 116.94 117.54 1vbj h PHE 124 Ca 0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1vbj h PHE 124 Cb 1.02 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 38.84 1vbj h PHE 124 CO 0.09 0.13 0.00 0.93 -0.18 0.00 0.00 178.31 179.28 1vbj h GLU 125 N 0.50 0.00 0.06 1.51 5.08 -1.28 -1.68 114.58 118.77 1vbj h GLU 125 Ca 0.37 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.56 1vbj h GLU 125 Cb 0.48 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.74 1vbj h GLU 125 CO -0.33 0.00 -0.69 -0.22 -1.00 0.00 0.00 179.01 176.77 1vbj h LYS 126 N 0.00 0.36 0.00 2.33 1.63 0.44 -2.31 116.57 119.02 1vbj h LYS 126 Ca 0.00 -0.47 -0.01 0.00 -0.85 0.00 0.00 60.65 59.32 1vbj h LYS 126 Cb 0.26 0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.04 1vbj h LYS 126 CO 0.00 1.16 -0.05 -0.07 -3.45 0.00 0.00 179.45 177.05 1vbj h LEU 127 N -0.23 0.00 0.21 5.20 3.38 -0.55 -1.29 115.31 122.02 1vbj h LEU 127 Ca -0.10 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 1vbj h LEU 127 Cb 1.46 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.24 1vbj h LEU 127 CO 0.13 0.05 -1.36 0.22 0.09 0.00 0.00 178.44 177.57 1vbj h TYR 128 N 0.00 0.80 0.00 1.13 3.20 -1.30 0.11 116.97 120.90 1vbj h TYR 128 Ca -0.00 -0.58 -0.09 0.00 3.14 0.00 0.00 58.73 61.20 1vbj h TYR 128 Cb 0.44 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1vbj h TYR 128 CO 0.00 1.52 -0.41 0.00 -1.64 0.00 0.00 178.16 177.63 1vbj h ALA 129 N 0.11 0.99 -0.34 1.82 0.00 -1.20 -2.88 119.26 117.76 1vbj h ALA 129 Ca -0.25 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1vbj h ALA 129 Cb 2.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.72 1vbj h ALA 129 CO 0.21 0.51 0.00 -0.25 0.00 0.00 0.00 179.25 179.73 1vbj n ASP 130 N -3.57 1.94 0.00 0.00 8.00 -0.51 -4.91 116.55 117.50 1vbj n ASP 130 Ca -0.00 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1vbj n ASP 130 Cb 0.53 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1vbj n ASP 130 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1vbj n LYS 131 N 0.55 -0.63 0.28 -1.24 4.76 -1.09 -4.83 118.16 115.96 1vbj n LYS 131 Ca 0.13 0.16 0.16 0.00 -2.87 0.00 0.00 58.31 55.88 1vbj n LYS 131 Cb 0.31 -4.18 0.80 0.00 -1.84 0.00 0.00 35.03 30.13 1vbj n LYS 131 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 1vbj h LYS 132 N 0.58 0.00 -3.65 1.97 1.57 -1.07 -3.43 116.57 112.54 1vbj h LYS 132 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 1vbj h LYS 132 Cb 0.31 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.35 1vbj h LYS 132 CO 0.00 0.08 -0.68 0.14 -0.57 0.00 0.00 179.45 178.42 1vbj s VAL 133 N -4.05 0.00 -0.22 0.50 -7.23 -0.98 -1.00 120.40 107.42 1vbj s VAL 133 Ca -0.02 -0.02 0.18 0.00 -1.81 0.00 0.00 61.98 60.31 1vbj s VAL 133 Cb 0.12 -0.06 0.08 0.00 0.56 0.00 0.00 36.38 37.08 1vbj s VAL 133 CO 0.54 -0.01 1.33 0.03 -0.31 0.00 0.00 175.10 176.68 1vbj h ARG 134 N 6.06 0.00 -3.11 4.82 3.08 -0.79 -3.41 114.38 121.03 1vbj h ARG 134 Ca -0.24 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.69 1vbj h ARG 134 Cb 1.21 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.06 1vbj h ARG 134 CO 0.49 0.30 -0.29 0.00 -1.07 0.00 0.00 179.97 179.39 1vbj s ALA 135 N -3.06 -0.72 0.00 0.04 0.00 0.50 -4.97 121.76 113.56 1vbj s ALA 135 Ca 0.03 0.24 0.04 0.00 0.00 0.00 0.00 51.96 52.27 1vbj s ALA 135 Cb 0.07 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.29 1vbj s ALA 135 CO 0.75 -0.27 -0.12 0.96 0.00 0.00 0.00 175.76 177.07 1vbj s ILE 136 N -1.47 0.96 0.00 0.00 -4.36 -1.26 -2.54 121.20 112.53 1vbj s ILE 136 Ca -0.13 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.63 1vbj s ILE 136 Cb -0.05 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.83 1vbj s ILE 136 CO 0.03 0.19 0.00 0.61 0.24 0.00 0.00 174.94 176.01 1vbj n GLY 137 N 2.56 4.41 3.18 6.27 0.00 0.02 -2.08 105.19 119.55 1vbj n GLY 137 Ca -0.15 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.43 1vbj n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbj s VAL 138 N -1.65 0.56 -0.00 1.61 0.11 0.25 -2.79 120.40 118.49 1vbj s VAL 138 Ca 0.00 -1.94 -0.01 0.00 -2.93 0.00 0.00 61.98 57.11 1vbj s VAL 138 Cb 0.00 -1.87 -0.00 0.00 -1.53 0.00 0.00 36.38 32.98 1vbj s VAL 138 CO 0.00 -0.69 0.01 -0.55 -3.33 0.00 0.00 175.10 170.54 1vbj s SER 139 N -3.08 0.05 -1.41 3.54 0.15 0.08 -1.85 113.70 111.18 1vbj s SER 139 Ca 0.17 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.63 1vbj s SER 139 Cb 0.06 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.47 1vbj s SER 139 CO -0.01 -0.09 1.07 0.59 1.20 0.00 0.00 173.24 175.99 1vbj n ASN 140 N 2.65 -5.15 -4.56 5.45 5.03 -0.12 -4.09 115.26 114.46 1vbj n ASN 140 Ca -0.15 -0.65 -0.35 0.00 0.87 0.00 0.00 54.58 54.29 1vbj n ASN 140 Cb 0.59 -4.55 -0.11 0.00 -1.02 0.00 0.00 39.78 34.68 1vbj n ASN 140 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1vbj s PHE 141 N -3.34 3.18 0.77 3.10 2.99 -1.26 -4.33 117.98 119.09 1vbj s PHE 141 Ca 0.54 -0.10 -0.12 0.00 0.00 0.00 0.00 56.93 57.25 1vbj s PHE 141 Cb -0.25 -2.14 0.06 0.00 0.00 0.00 0.00 43.02 40.68 1vbj s PHE 141 CO 0.77 -0.04 1.15 -1.01 -0.00 0.00 0.00 175.22 176.08 1vbj s HIS 142 N 0.87 3.07 0.55 0.36 3.76 -1.26 -4.87 115.29 117.78 1vbj s HIS 142 Ca 0.04 0.83 0.23 0.00 -0.15 0.00 0.00 55.06 56.01 1vbj s HIS 142 Cb -0.14 -3.35 1.54 0.00 1.11 0.00 0.00 32.58 31.74 1vbj s HIS 142 CO 0.03 -1.57 2.20 1.05 -0.85 0.00 0.00 174.74 175.59 1vbj h GLU 143 N -0.91 0.00 -0.01 1.40 9.09 -1.99 -1.52 114.58 120.65 1vbj h GLU 143 Ca -0.46 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 58.77 1vbj h GLU 143 Cb 1.30 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.39 1vbj h GLU 143 CO 0.65 0.00 -0.83 1.12 0.05 0.00 0.00 179.01 180.00 1vbj h HIS 144 N 0.00 0.25 -0.69 2.06 2.07 -1.99 -0.57 115.15 116.29 1vbj h HIS 144 Ca 0.01 -0.13 -0.05 0.00 -2.85 0.00 0.00 60.37 57.34 1vbj h HIS 144 Cb 0.03 -0.03 -0.03 0.00 2.57 0.00 0.00 27.41 29.95 1vbj h HIS 144 CO 0.00 0.92 0.21 0.45 -3.07 0.00 0.00 177.93 176.45 1vbj h HIS 145 N 0.10 1.09 -0.18 6.12 3.86 -1.65 -0.79 115.15 123.70 1vbj h HIS 145 Ca -0.03 -0.10 -0.17 0.00 -1.16 0.00 0.00 60.37 58.91 1vbj h HIS 145 Cb 1.44 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 29.60 1vbj h HIS 145 CO 0.02 0.87 -0.54 0.82 0.86 0.00 0.00 177.93 179.96 1vbj h ILE 146 N 1.02 1.32 -0.92 2.45 2.04 -1.26 -2.35 117.51 119.81 1vbj h ILE 146 Ca 0.22 -1.78 0.01 0.00 1.00 0.00 0.00 64.86 64.32 1vbj h ILE 146 Cb 0.29 1.94 -0.05 0.00 -0.74 0.00 0.00 36.82 38.26 1vbj h ILE 146 CO -0.01 0.55 0.61 -0.33 0.00 0.00 0.00 178.15 178.98 1vbj h GLU 147 N 0.37 1.20 -0.02 2.37 4.39 -0.88 0.11 114.58 122.13 1vbj h GLU 147 Ca -0.02 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1vbj h GLU 147 Cb 1.16 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 1vbj h GLU 147 CO 0.12 0.80 -0.39 1.49 -1.16 0.00 0.00 179.01 179.86 1vbj h GLU 148 N 1.24 0.04 0.09 2.33 4.81 -1.06 -3.06 114.58 118.97 1vbj h GLU 148 Ca 0.34 -0.01 -0.22 0.00 -0.13 0.00 0.00 59.36 59.34 1vbj h GLU 148 Cb -0.13 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.27 1vbj h GLU 148 CO -0.08 0.42 -0.92 1.25 -0.73 0.00 0.00 179.01 178.96 1vbj h LEU 149 N 0.03 0.64 -1.23 1.64 6.46 -0.70 -3.22 115.31 118.94 1vbj h LEU 149 Ca 0.00 -0.85 0.00 0.00 -0.12 0.00 0.00 57.88 56.91 1vbj h LEU 149 Cb 0.70 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 1vbj h LEU 149 CO 0.05 1.43 0.04 0.18 -0.62 0.00 0.00 178.44 179.52 1vbj n LEU 150 N -4.03 0.48 -0.03 2.25 4.77 0.26 -0.44 117.00 120.26 1vbj n LEU 150 Ca -0.13 0.71 -0.06 0.00 -0.03 0.00 0.00 56.01 56.51 1vbj n LEU 150 Cb 0.84 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 41.04 1vbj n LEU 150 CO 0.52 -0.87 -0.62 0.29 -1.33 0.00 0.00 177.39 175.37 1vbj n LYS 151 N -2.16 0.64 -2.95 3.23 5.02 -1.18 -4.49 118.16 116.27 1vbj n LYS 151 Ca -0.01 0.18 -0.28 0.00 -2.02 0.00 0.00 58.31 56.17 1vbj n LYS 151 Cb 0.07 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.32 1vbj n LYS 151 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1vbj n HIS 152 N -2.89 3.92 -3.48 2.13 8.25 0.42 -5.04 115.22 118.53 1vbj n HIS 152 Ca -0.18 -3.88 -0.15 0.00 -0.26 0.00 0.00 57.72 53.24 1vbj n HIS 152 Cb 0.99 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 1vbj n HIS 152 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1vbj n LYS 154 N 0.33 0.78 -3.86 0.00 4.76 -1.26 -4.85 118.16 114.07 1vbj n LYS 154 Ca -0.18 -0.09 -0.28 0.00 -2.87 0.00 0.00 58.31 54.89 1vbj n LYS 154 Cb 0.61 -1.48 -0.16 0.00 -1.84 0.00 0.00 35.03 32.15 1vbj n LYS 154 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1vbj s VAL 155 N -2.88 1.02 0.57 -0.18 1.01 -1.26 -5.14 120.40 113.55 1vbj s VAL 155 Ca -0.08 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.06 1vbj s VAL 155 Cb 0.09 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 1vbj s VAL 155 CO 0.81 0.05 1.16 0.00 0.00 0.00 0.00 175.10 177.12 1vbj s ALA 156 N 1.66 2.61 0.61 5.51 0.00 -1.26 -4.98 121.76 125.90 1vbj s ALA 156 Ca -0.00 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1vbj s ALA 156 Cb -0.16 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1vbj s ALA 156 CO -0.07 -0.99 1.25 -1.25 0.00 0.00 0.00 175.76 174.70 1vbj s PRO 157 N -3.37 2.85 0.00 0.00 0.04 -1.26 -4.94 135.00 128.32 1vbj s PRO 157 Ca 0.74 1.94 0.09 0.00 0.04 0.00 0.00 61.00 63.82 1vbj s PRO 157 Cb -0.26 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.26 1vbj s PRO 157 CO 0.31 -1.33 0.45 -1.33 0.04 0.00 0.00 177.00 175.14 1vbj n MET 158 N -1.63 3.52 -3.80 4.56 2.81 -0.88 -4.73 117.12 116.96 1vbj n MET 158 Ca 0.14 -0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1vbj n MET 158 Cb 0.49 -0.97 -0.09 0.00 -0.71 0.00 0.00 33.22 31.93 1vbj n MET 158 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1vbj s VAL 159 N -1.77 0.06 -0.21 2.03 1.01 -1.26 -1.56 120.40 118.71 1vbj s VAL 159 Ca 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 61.98 61.44 1vbj s VAL 159 Cb 0.07 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.98 1vbj s VAL 159 CO 0.35 -0.29 0.12 0.21 0.00 0.00 0.00 175.10 175.49 1vbj s ASN 160 N -1.32 2.58 -0.26 3.32 2.47 0.51 -0.59 114.94 121.66 1vbj s ASN 160 Ca -0.14 -0.78 -0.20 0.00 0.42 0.00 0.00 52.86 52.16 1vbj s ASN 160 Cb -0.06 -0.19 -0.02 0.00 -1.45 0.00 0.00 41.25 39.53 1vbj s ASN 160 CO 0.03 -0.37 0.63 -1.58 -3.72 0.00 0.00 177.10 172.09 1vbj s GLN 161 N 2.15 4.10 0.08 0.43 0.74 -0.77 -2.19 119.66 124.20 1vbj s GLN 161 Ca 0.05 0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.99 1vbj s GLN 161 Cb -0.16 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 1vbj s GLN 161 CO -0.18 -0.42 -0.04 0.96 -0.55 0.00 0.00 175.29 175.06 1vbj s ILE 162 N 2.51 0.44 0.10 -2.34 -4.36 0.32 -0.94 121.20 116.92 1vbj s ILE 162 Ca 0.26 -1.87 -0.31 0.00 -0.26 0.00 0.00 60.65 58.47 1vbj s ILE 162 Cb -0.15 -1.62 -0.09 0.00 1.25 0.00 0.00 42.46 41.85 1vbj s ILE 162 CO 0.09 -0.92 1.58 -0.70 0.24 0.00 0.00 174.94 175.23 1vbj s GLU 163 N -3.88 4.22 -0.22 0.37 2.12 -1.26 -0.32 118.70 119.72 1vbj s GLU 163 Ca 0.10 2.30 -0.09 0.00 0.36 0.00 0.00 54.97 57.63 1vbj s GLU 163 Cb 0.07 -3.41 0.09 0.00 0.26 0.00 0.00 34.13 31.13 1vbj s GLU 163 CO -0.07 -0.65 0.49 -1.17 -0.54 0.00 0.00 175.26 173.31 1vbj s LEU 164 N 1.98 -0.62 0.26 2.70 2.96 -0.87 -4.82 118.68 120.26 1vbj s LEU 164 Ca 0.71 1.13 -0.20 0.00 -0.22 0.00 0.00 54.13 55.54 1vbj s LEU 164 Cb -0.40 1.63 0.06 0.00 0.50 0.00 0.00 46.19 47.98 1vbj s LEU 164 CO 0.31 -0.22 0.90 -1.38 -1.32 0.00 0.00 176.35 174.64 1vbj s HIS 165 N 2.23 0.02 0.52 5.38 -3.43 -1.01 -3.80 115.29 115.22 1vbj s HIS 165 Ca -0.05 -0.51 0.31 0.00 -0.80 0.00 0.00 55.06 54.01 1vbj s HIS 165 Cb -0.10 0.74 1.46 0.00 -1.43 0.00 0.00 32.58 33.25 1vbj s HIS 165 CO -0.15 -1.18 1.86 -1.35 -2.00 0.00 0.00 174.74 171.93 1vbj h PRO 166 N 2.00 0.05 -0.01 -0.38 0.11 -1.90 0.19 132.00 132.05 1vbj h PRO 166 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1vbj h PRO 166 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vbj h PRO 166 CO 0.34 0.03 -0.14 1.28 -0.21 0.00 0.00 178.00 179.30 1vbj n LEU 167 N -4.28 1.17 -2.98 2.35 4.77 -1.26 -2.48 117.00 114.28 1vbj n LEU 167 Ca 0.21 -0.34 -0.15 0.00 -0.03 0.00 0.00 56.01 55.70 1vbj n LEU 167 Cb 1.02 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1vbj n LEU 167 CO 0.38 0.21 -0.04 -0.11 -1.33 0.00 0.00 177.39 176.49 1vbj n LEU 168 N -0.35 -1.80 0.17 2.23 7.94 0.02 -1.04 117.00 124.18 1vbj n LEU 168 Ca 0.15 -3.77 0.13 0.00 -1.11 0.00 0.00 56.01 51.41 1vbj n LEU 168 Cb 0.34 0.72 0.59 0.00 0.53 0.00 0.00 43.42 45.60 1vbj n LEU 168 CO 0.22 1.98 0.89 -0.55 -1.11 0.00 0.00 177.39 178.82 1vbj h ASN 169 N 4.53 0.00 -3.15 1.96 7.08 -1.65 -2.67 115.58 121.69 1vbj h ASN 169 Ca 0.03 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.98 1vbj h ASN 169 Cb 0.99 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.19 1vbj h ASN 169 CO 0.30 0.00 -0.33 0.00 -2.08 0.00 0.00 177.43 175.31 1vbj n GLN 170 N -2.43 -1.94 -0.30 4.14 1.13 -1.26 -4.84 117.38 111.87 1vbj n GLN 170 Ca 0.01 0.70 0.08 0.00 -1.94 0.00 0.00 57.00 55.85 1vbj n GLN 170 Cb 0.19 -5.23 0.24 0.00 0.11 0.00 0.00 30.24 25.55 1vbj n GLN 170 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1vbj h LYS 171 N 0.00 0.62 -0.21 -1.09 1.57 -2.00 -1.00 116.57 114.47 1vbj h LYS 171 Ca -0.32 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.40 1vbj h LYS 171 Cb 1.16 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1vbj h LYS 171 CO 0.39 0.41 0.01 0.00 -0.57 0.00 0.00 179.45 179.70 1vbj h ALA 172 N 1.57 0.28 -0.43 3.86 0.00 -1.99 -1.42 119.26 121.12 1vbj h ALA 172 Ca 0.48 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 55.13 1vbj h ALA 172 Cb 0.69 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1vbj h ALA 172 CO -0.37 -0.03 0.01 1.25 0.00 0.00 0.00 179.25 180.11 1vbj h LEU 173 N 0.13 0.66 -0.38 0.00 5.85 -1.81 -1.06 115.31 118.71 1vbj h LEU 173 Ca 0.06 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 1vbj h LEU 173 Cb 0.36 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 1vbj h LEU 173 CO 0.01 0.73 0.10 0.00 -0.34 0.00 0.00 178.44 178.94 1vbj h GLU 175 N 0.47 0.14 0.06 0.00 4.57 -0.85 0.06 114.58 119.03 1vbj h GLU 175 Ca 0.12 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 1vbj h GLU 175 Cb 0.30 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1vbj h GLU 175 CO 0.00 0.09 -0.08 -0.92 -1.18 0.00 0.00 179.01 176.92 1vbj h TYR 176 N 0.14 -0.20 -0.68 0.92 3.20 -0.84 -1.99 116.97 117.52 1vbj h TYR 176 Ca 0.16 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.04 1vbj h TYR 176 Cb 0.19 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 1vbj h TYR 176 CO -0.20 -0.12 0.45 0.00 -1.64 0.00 0.00 178.16 176.65 1vbj h LYS 178 N 0.89 1.07 0.00 0.00 3.64 -0.74 0.74 116.57 122.17 1vbj h LYS 178 Ca 0.26 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 1vbj h LYS 178 Cb -0.05 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1vbj h LYS 178 CO -0.06 1.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.85 1vbj h SER 179 N 0.96 0.00 -0.61 4.20 4.64 -0.76 -1.61 113.55 120.37 1vbj h SER 179 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1vbj h SER 179 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1vbj h SER 179 CO 0.04 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.29 1vbj n LYS 180 N -2.61 2.82 -3.72 4.77 4.01 -0.89 -4.95 118.16 117.60 1vbj n LYS 180 Ca 0.01 -2.48 -0.25 0.00 -0.51 0.00 0.00 58.31 55.08 1vbj n LYS 180 Cb 0.24 -1.49 0.05 0.00 -0.51 0.00 0.00 35.03 33.32 1vbj n LYS 180 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1vbj n ASN 181 N 1.26 -4.32 -4.15 4.39 3.02 -0.61 -4.98 115.26 109.88 1vbj n ASN 181 Ca 0.20 -0.69 -0.33 0.00 -0.03 0.00 0.00 54.58 53.73 1vbj n ASN 181 Cb 0.57 -4.43 -0.15 0.00 -0.61 0.00 0.00 39.78 35.15 1vbj n ASN 181 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1vbj s ILE 182 N -3.38 2.31 0.42 2.41 1.01 0.25 -4.46 121.20 119.76 1vbj s ILE 182 Ca 0.44 -0.97 -0.24 0.00 0.00 0.00 0.00 60.65 59.87 1vbj s ILE 182 Cb -0.21 -2.05 -0.08 0.00 0.01 0.00 0.00 42.46 40.13 1vbj s ILE 182 CO 0.78 0.43 1.15 0.00 0.00 0.00 0.00 174.94 177.30 1vbj s ALA 183 N 1.29 3.10 -0.10 9.38 0.00 -0.60 -3.81 121.76 131.02 1vbj s ALA 183 Ca 0.03 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.90 1vbj s ALA 183 Cb -0.14 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1vbj s ALA 183 CO -0.10 -0.52 -0.07 0.08 0.00 0.00 0.00 175.76 175.15 1vbj s VAL 184 N -1.48 3.66 -0.09 0.00 1.01 -1.26 -0.37 120.40 121.87 1vbj s VAL 184 Ca 0.59 -0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.14 1vbj s VAL 184 Cb -0.29 -2.53 -0.01 0.00 0.00 0.00 0.00 36.38 33.56 1vbj s VAL 184 CO 0.36 0.56 -0.23 -0.89 0.00 0.00 0.00 175.10 174.89 1vbj s THR 185 N -0.32 2.15 -0.26 3.92 2.01 -0.93 -0.61 115.64 121.59 1vbj s THR 185 Ca 0.05 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 60.92 1vbj s THR 185 Cb -0.13 -1.81 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1vbj s THR 185 CO 0.02 0.56 0.26 0.00 -0.69 0.00 0.00 174.62 174.78 1vbj s ALA 186 N 0.16 3.56 0.18 7.40 0.00 0.11 -0.52 121.76 132.65 1vbj s ALA 186 Ca -0.13 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 50.96 1vbj s ALA 186 Cb -0.16 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.39 1vbj s ALA 186 CO 0.07 -0.48 0.32 1.67 0.00 0.00 0.00 175.76 177.33 1vbj s TRP 187 N 1.66 3.48 -1.46 0.00 1.48 0.56 -3.15 118.94 121.50 1vbj s TRP 187 Ca 0.11 0.09 -0.11 0.00 -1.06 0.00 0.00 56.10 55.13 1vbj s TRP 187 Cb -0.15 -1.65 0.05 0.00 -1.16 0.00 0.00 33.47 30.56 1vbj s TRP 187 CO 0.09 0.48 0.98 0.43 -4.06 0.00 0.00 176.95 174.87 1vbj n SER 188 N -0.82 -5.46 0.33 -2.66 7.64 -1.26 -2.05 113.62 109.32 1vbj n SER 188 Ca -0.07 -0.62 0.17 0.00 1.01 0.00 0.00 58.87 59.36 1vbj n SER 188 Cb 0.55 -4.35 0.93 0.00 -1.01 0.00 0.00 64.21 60.33 1vbj n SER 188 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1vbj h PRO 189 N -2.16 0.00 -0.38 1.43 0.13 -1.72 0.42 132.00 129.71 1vbj h PRO 189 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1vbj h PRO 189 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1vbj h PRO 189 CO 0.61 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.66 1vbj n LEU 190 N -2.90 3.82 -2.89 1.56 4.77 -1.26 -4.67 117.00 115.43 1vbj n LEU 190 Ca -0.02 -2.56 -0.19 0.00 -0.03 0.00 0.00 56.01 53.21 1vbj n LEU 190 Cb 0.27 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 40.97 1vbj n LEU 190 CO 0.15 0.72 0.17 0.61 -1.33 0.00 0.00 177.39 177.71 1vbj n GLY 191 N 0.21 -0.25 3.40 -0.72 0.00 0.15 -2.02 105.19 105.95 1vbj n GLY 191 Ca 0.19 0.05 -0.24 0.00 0.00 0.00 0.00 46.02 46.02 1vbj n GLY 191 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vbj n GLN 192 N -3.99 -3.49 0.00 1.61 6.02 -1.25 -0.48 117.38 115.81 1vbj n GLN 192 Ca -0.01 0.49 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 1vbj n GLN 192 Cb 0.56 -5.21 0.00 0.00 1.02 0.00 0.00 30.24 26.61 1vbj n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vbj n GLY 193 N -1.21 2.41 0.00 1.08 0.00 -0.86 -4.90 105.19 101.72 1vbj n GLY 193 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1vbj n GLY 193 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1vbj n HIS 194 N -2.00 0.00 0.00 1.61 8.25 0.37 -3.23 115.22 120.23 1vbj n HIS 194 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1vbj n HIS 194 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1vbj n HIS 194 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1vbj n LEU 195 N -0.98 0.00 0.11 2.41 4.77 -1.22 -4.74 117.00 117.35 1vbj n LEU 195 Ca 0.16 -0.36 0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1vbj n LEU 195 Cb 0.07 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.49 1vbj n LEU 195 CO 0.12 0.00 0.72 1.33 -1.33 0.00 0.00 177.39 178.22 1vbj n VAL 196 N -0.79 1.08 -1.23 4.08 0.24 -1.20 -0.70 118.33 119.81 1vbj n VAL 196 Ca 0.00 0.67 0.09 0.00 -2.04 0.00 0.00 64.34 63.05 1vbj n VAL 196 Cb 0.00 -1.67 0.13 0.00 -1.47 0.00 0.00 33.84 30.84 1vbj n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1vbj n GLU 197 N -1.92 1.18 -2.12 7.34 -0.58 -1.26 -4.44 120.64 118.84 1vbj n GLU 197 Ca -0.01 -2.50 -0.40 0.00 -0.42 0.00 0.00 57.16 53.83 1vbj n GLU 197 Cb 0.15 -1.40 -0.02 0.00 -0.57 0.00 0.00 31.44 29.60 1vbj n GLU 197 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vbj s ASP 198 N -2.73 6.62 0.41 1.62 2.15 0.12 -4.92 116.67 119.93 1vbj s ASP 198 Ca 0.30 2.64 0.21 0.00 0.43 0.00 0.00 52.55 56.13 1vbj s ASP 198 Cb 0.27 -2.64 0.80 0.00 -0.30 0.00 0.00 42.92 41.04 1vbj s ASP 198 CO 0.01 -0.64 1.78 0.00 -0.17 0.00 0.00 175.17 176.16 1vbj h ALA 199 N 3.10 1.02 0.05 3.66 0.00 -1.97 -2.72 119.26 122.41 1vbj h ALA 199 Ca -0.49 -0.28 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1vbj h ALA 199 Cb 1.23 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.99 1vbj h ALA 199 CO 0.64 0.38 -0.87 0.00 0.00 0.00 0.00 179.25 179.40 1vbj h ARG 200 N 0.00 0.50 -0.38 0.00 3.08 -1.97 -2.70 114.38 112.91 1vbj h ARG 200 Ca -0.00 -0.61 -0.12 0.00 0.07 0.00 0.00 59.98 59.31 1vbj h ARG 200 Cb 0.82 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.05 1vbj h ARG 200 CO 0.04 1.24 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.86 1vbj h LEU 201 N 0.04 0.88 0.02 3.04 -0.00 -1.92 -2.89 115.31 114.48 1vbj h LEU 201 Ca -0.12 -0.43 0.02 0.00 -0.00 0.00 0.00 57.88 57.35 1vbj h LEU 201 Cb 1.58 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.97 1vbj h LEU 201 CO 0.17 1.12 -0.13 0.11 -0.00 0.00 0.00 178.44 179.71 1vbj h LYS 202 N 0.65 -0.22 -0.33 1.13 1.57 -1.57 0.28 116.57 118.07 1vbj h LYS 202 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1vbj h LYS 202 Cb 0.82 0.05 -0.07 0.00 0.08 0.00 0.00 32.23 33.11 1vbj h LYS 202 CO 0.07 -0.15 -0.44 0.00 -0.57 0.00 0.00 179.45 178.36 1vbj h ALA 203 N 0.71 -0.68 -0.99 3.86 0.00 -1.45 0.75 119.26 121.47 1vbj h ALA 203 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1vbj h ALA 203 Cb 0.27 1.05 -0.10 0.00 0.00 0.00 0.00 17.79 19.01 1vbj h ALA 203 CO -0.11 -0.89 0.60 0.82 0.00 0.00 0.00 179.25 179.67 1vbj h ILE 204 N -0.31 0.79 -0.30 0.00 2.04 -1.29 -1.07 117.51 117.38 1vbj h ILE 204 Ca 0.06 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 1vbj h ILE 204 Cb 0.47 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1vbj h ILE 204 CO -0.48 0.15 0.00 1.23 0.00 0.00 0.00 178.15 179.05 1vbj h GLY 205 N 0.84 0.48 0.44 5.37 0.00 0.12 -3.08 103.07 107.25 1vbj h GLY 205 Ca 0.53 -0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.72 1vbj h GLY 205 CO -0.33 0.26 0.63 -1.33 0.00 0.00 0.00 176.54 175.76 1vbj h GLY 206 N 0.77 1.65 2.00 4.60 0.00 0.37 0.14 103.07 112.60 1vbj h GLY 206 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1vbj h GLY 206 CO 0.01 0.14 0.00 0.50 0.00 0.00 0.00 176.54 177.19 1vbj h LYS 207 N 0.97 0.00 -0.00 4.80 1.57 -1.62 -2.64 116.57 119.64 1vbj h LYS 207 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 1vbj h LYS 207 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1vbj h LYS 207 CO -0.28 0.00 -0.16 0.66 -0.57 0.00 0.00 179.45 179.10 1vbj n TYR 208 N -2.85 0.00 -2.22 -1.35 4.01 -0.33 -4.99 117.16 109.44 1vbj n TYR 208 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 1vbj n TYR 208 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1vbj n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vbj n GLY 209 N 0.87 0.03 3.55 2.72 0.00 0.33 -5.03 105.19 107.66 1vbj n GLY 209 Ca 0.02 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 1vbj n GLY 209 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbj s LYS 210 N -4.50 1.98 0.76 1.61 -0.14 -0.28 -5.01 119.74 114.16 1vbj s LYS 210 Ca 0.02 -1.60 -0.07 0.00 -1.36 0.00 0.00 55.97 52.96 1vbj s LYS 210 Cb -0.01 -1.96 0.11 0.00 -1.68 0.00 0.00 37.83 34.30 1vbj s LYS 210 CO 0.02 0.35 1.07 0.95 -0.76 0.00 0.00 175.35 176.97 1vbj s THR 211 N -2.42 2.19 0.13 2.17 -4.23 -1.26 -4.03 115.64 108.19 1vbj s THR 211 Ca 0.31 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.33 1vbj s THR 211 Cb -0.06 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.91 1vbj s THR 211 CO 0.17 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 175.97 1vbj h ALA 212 N -0.79 0.48 -0.58 3.99 0.00 -1.80 -0.80 119.26 119.75 1vbj h ALA 212 Ca -0.42 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.43 1vbj h ALA 212 Cb 1.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1vbj h ALA 212 CO 0.49 0.04 0.33 0.00 0.00 0.00 0.00 179.25 180.11 1vbj h ALA 213 N 1.03 0.76 -0.75 0.00 0.00 -1.89 -0.38 119.26 118.04 1vbj h ALA 213 Ca 0.13 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1vbj h ALA 213 Cb 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1vbj h ALA 213 CO -0.02 0.02 0.24 1.96 0.00 0.00 0.00 179.25 181.45 1vbj h GLN 214 N 0.64 1.15 -0.17 0.00 4.20 -1.81 -2.20 115.11 116.92 1vbj h GLN 214 Ca 0.25 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1vbj h GLN 214 Cb 0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1vbj h GLN 214 CO -0.14 0.98 0.11 0.28 -0.67 0.00 0.00 178.83 179.38 1vbj h VAL 215 N 1.11 1.07 -0.58 -0.54 2.07 -0.25 -1.26 116.25 117.87 1vbj h VAL 215 Ca 0.24 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.66 1vbj h VAL 215 Cb 0.30 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1vbj h VAL 215 CO -0.01 0.06 0.31 0.24 0.02 0.00 0.00 177.57 178.19 1vbj h MET 216 N 0.21 0.56 -0.47 1.57 2.86 -0.91 -0.24 114.93 118.51 1vbj h MET 216 Ca 0.06 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1vbj h MET 216 Cb 0.01 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 1vbj h MET 216 CO -0.01 0.37 0.19 -0.07 1.06 0.00 0.00 176.91 178.45 1vbj h LEU 217 N 0.58 0.64 -0.91 1.22 4.07 -1.17 -1.51 115.31 118.24 1vbj h LEU 217 Ca 0.26 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 57.96 1vbj h LEU 217 Cb 0.16 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 1vbj h LEU 217 CO -0.17 0.63 -0.15 -0.09 -1.08 0.00 0.00 178.44 177.58 1vbj h ARG 218 N 0.61 0.64 -0.52 1.13 1.12 -0.89 -0.88 114.38 115.58 1vbj h ARG 218 Ca 0.16 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.80 1vbj h ARG 218 Cb 0.19 -0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.07 1vbj h ARG 218 CO -0.01 0.76 0.27 2.35 -3.11 0.00 0.00 179.97 180.23 1vbj h TRP 219 N 0.58 0.73 -0.41 2.20 7.01 -0.75 0.17 115.95 125.47 1vbj h TRP 219 Ca 0.10 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 1vbj h TRP 219 Cb 0.59 -0.23 -0.02 0.00 -2.10 0.00 0.00 29.16 27.40 1vbj h TRP 219 CO 0.02 0.55 0.15 0.93 -2.79 0.00 0.00 178.44 177.31 1vbj h GLU 220 N 0.69 0.63 -0.40 2.65 5.08 -0.95 -1.44 114.58 120.84 1vbj h GLU 220 Ca 0.18 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1vbj h GLU 220 Cb 0.08 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 1vbj h GLU 220 CO -0.03 0.60 0.24 0.82 -1.00 0.00 0.00 179.01 179.64 1vbj h ILE 221 N 0.52 1.13 0.00 3.13 2.04 -0.69 -1.52 117.51 122.13 1vbj h ILE 221 Ca 0.14 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1vbj h ILE 221 Cb 0.22 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1vbj h ILE 221 CO -0.01 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1vbj n GLN 222 N -4.77 0.08 0.00 2.37 6.02 0.55 -1.24 117.38 120.39 1vbj n GLN 222 Ca 0.00 0.28 0.14 0.00 -0.01 0.00 0.00 57.00 57.42 1vbj n GLN 222 Cb 0.06 -1.64 0.63 0.00 1.02 0.00 0.00 30.24 30.31 1vbj n GLN 222 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1vbj n ALA 223 N -1.61 2.52 -0.65 -1.58 0.00 -0.56 -4.91 120.51 113.73 1vbj n ALA 223 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1vbj n ALA 223 Cb 0.22 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1vbj n ALA 223 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vbj n GLY 224 N 1.41 0.60 3.84 0.00 0.00 -0.37 -5.07 105.19 105.58 1vbj n GLY 224 Ca 0.10 -0.72 -0.29 0.00 0.00 0.00 0.00 46.02 45.12 1vbj n GLY 224 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1vbj s VAL 225 N -2.00 1.49 -0.01 1.61 -7.23 -1.10 -4.76 120.40 108.40 1vbj s VAL 225 Ca 0.00 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.46 1vbj s VAL 225 Cb 0.00 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 1vbj s VAL 225 CO 0.00 0.00 0.04 -0.63 -0.31 0.00 0.00 175.10 174.20 1vbj s ILE 226 N -2.80 4.44 -0.02 -0.62 1.01 0.22 -4.39 121.20 119.03 1vbj s ILE 226 Ca 0.23 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1vbj s ILE 226 Cb -0.00 -2.99 -0.00 0.00 0.01 0.00 0.00 42.46 39.47 1vbj s ILE 226 CO 0.14 0.38 -0.11 0.28 0.00 0.00 0.00 174.94 175.63 1vbj s THR 227 N -1.12 0.92 -0.56 2.92 -1.32 0.36 0.09 115.64 116.93 1vbj s THR 227 Ca 0.20 -0.46 0.07 0.00 -1.21 0.00 0.00 61.69 60.29 1vbj s THR 227 Cb -0.12 -0.80 0.26 0.00 -1.51 0.00 0.00 72.50 70.34 1vbj s THR 227 CO 0.11 0.27 0.72 2.30 -2.21 0.00 0.00 174.62 175.81 1vbj n ILE 228 N 3.08 1.64 -2.01 5.08 -5.35 -1.19 -0.99 119.36 119.62 1vbj n ILE 228 Ca -0.16 -4.96 -0.38 0.00 -0.27 0.00 0.00 62.75 56.97 1vbj n ILE 228 Cb 0.55 -1.91 0.01 0.00 -1.74 0.00 0.00 39.64 36.55 1vbj n ILE 228 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1vbj s PRO 229 N -2.30 3.62 -0.05 6.28 0.04 -1.21 -3.44 135.00 137.94 1vbj s PRO 229 Ca 0.40 2.09 0.01 0.00 0.04 0.00 0.00 61.00 63.53 1vbj s PRO 229 Cb 0.18 -2.49 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1vbj s PRO 229 CO -0.05 -0.75 -0.04 0.21 0.04 0.00 0.00 177.00 176.41 1vbj s LYS 230 N -2.60 2.77 -0.16 4.56 2.47 -1.26 -2.05 119.74 123.46 1vbj s LYS 230 Ca 0.64 -0.56 -0.23 0.00 -1.56 0.00 0.00 55.97 54.26 1vbj s LYS 230 Cb -0.36 -2.64 0.06 0.00 -1.46 0.00 0.00 37.83 33.43 1vbj s LYS 230 CO 0.45 0.66 0.61 0.45 0.16 0.00 0.00 175.35 177.67 1vbj s SER 231 N -1.07 -0.61 -0.31 1.43 0.15 -1.26 -4.99 113.70 107.04 1vbj s SER 231 Ca 0.15 1.00 0.08 0.00 0.70 0.00 0.00 55.95 57.88 1vbj s SER 231 Cb -0.11 0.99 0.49 0.00 -1.71 0.00 0.00 66.02 65.68 1vbj s SER 231 CO 0.04 -0.34 1.45 0.61 1.20 0.00 0.00 173.24 176.20 1vbj n GLY 232 N 2.13 5.16 2.84 9.45 0.00 -1.26 -4.92 105.19 118.58 1vbj n GLY 232 Ca -0.16 -1.46 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 1vbj n GLY 232 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1vbj s ASN 233 N -2.69 1.71 0.45 1.61 2.47 -1.26 -5.03 114.94 112.21 1vbj s ASN 233 Ca 0.46 -0.17 0.16 0.00 0.42 0.00 0.00 52.86 53.73 1vbj s ASN 233 Cb 0.41 -0.59 1.10 0.00 -1.45 0.00 0.00 41.25 40.72 1vbj s ASN 233 CO -0.01 -0.14 1.97 -0.08 -3.72 0.00 0.00 177.10 175.13 1vbj h GLU 234 N 8.08 0.32 -0.10 0.43 4.81 -1.96 0.16 114.58 126.32 1vbj h GLU 234 Ca -0.26 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 1vbj h GLU 234 Cb 1.13 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.45 1vbj h GLU 234 CO 0.34 0.21 -0.46 0.00 -0.73 0.00 0.00 179.01 178.37 1vbj h ALA 235 N 1.70 0.18 -0.02 2.92 0.00 -2.00 -2.93 119.26 119.11 1vbj h ALA 235 Ca 0.28 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1vbj h ALA 235 Cb 0.67 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1vbj h ALA 235 CO -0.07 0.34 -0.45 0.00 0.00 0.00 0.00 179.25 179.07 1vbj h ARG 236 N 0.06 0.05 -0.27 0.00 3.08 -1.78 -1.47 114.38 114.05 1vbj h ARG 236 Ca -0.03 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1vbj h ARG 236 Cb 1.11 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 1vbj h ARG 236 CO 0.10 0.49 0.11 0.82 -1.07 0.00 0.00 179.97 180.42 1vbj h ILE 237 N 0.04 1.17 -0.29 2.04 1.08 -1.01 0.32 117.51 120.87 1vbj h ILE 237 Ca -0.00 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 63.94 1vbj h ILE 237 Cb 0.81 1.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.57 1vbj h ILE 237 CO 0.06 0.18 0.16 0.11 -0.69 0.00 0.00 178.15 177.96 1vbj h LYS 238 N 0.28 0.41 -0.31 2.37 1.57 -1.31 -2.61 116.57 116.97 1vbj h LYS 238 Ca 0.09 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1vbj h LYS 238 Cb 0.17 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1vbj h LYS 238 CO -0.01 0.36 0.06 1.49 -0.57 0.00 0.00 179.45 180.78 1vbj h GLU 239 N 0.35 0.17 0.00 3.15 4.81 -0.98 -1.74 114.58 120.34 1vbj h GLU 239 Ca 0.10 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1vbj h GLU 239 Cb 0.07 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 1vbj h GLU 239 CO -0.02 0.11 -0.06 -0.91 -0.73 0.00 0.00 179.01 177.40 1vbj h ASN 240 N 0.17 0.00 1.28 1.04 2.35 -0.79 -1.98 115.58 117.65 1vbj h ASN 240 Ca 0.14 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.83 1vbj h ASN 240 Cb 0.16 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1vbj h ASN 240 CO -0.19 0.06 -0.75 1.23 -1.65 0.00 0.00 177.43 176.13 1vbj h GLY 241 N 0.59 0.00 -5.86 2.83 0.00 -0.96 -3.40 103.07 96.28 1vbj h GLY 241 Ca -0.00 0.00 -0.71 0.00 0.00 0.00 0.00 47.33 46.62 1vbj h GLY 241 CO 0.01 0.00 3.18 -2.01 0.00 0.00 0.00 176.54 177.72 1vbj n ASN 242 N -2.95 4.79 0.00 0.19 4.05 -0.74 -4.37 115.26 116.24 1vbj n ASN 242 Ca -0.01 -2.82 0.00 0.00 0.45 0.00 0.00 54.58 52.21 1vbj n ASN 242 Cb 0.65 -1.63 0.00 0.00 1.23 0.00 0.00 39.78 40.03 1vbj n ASN 242 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1vbj n ILE 243 N 4.71 0.28 -0.44 -1.44 -5.35 -1.26 -4.66 119.36 111.20 1vbj n ILE 243 Ca 0.56 -0.28 0.09 0.00 -0.27 0.00 0.00 62.75 62.85 1vbj n ILE 243 Cb 0.36 0.87 0.28 0.00 -1.74 0.00 0.00 39.64 39.42 1vbj n ILE 243 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1vbj n PHE 244 N -0.14 0.99 0.14 4.28 3.01 -1.26 -4.33 117.46 120.14 1vbj n PHE 244 Ca 0.00 -0.56 0.07 0.00 1.01 0.00 0.00 57.45 57.97 1vbj n PHE 244 Cb 0.42 -0.10 0.05 0.00 -0.01 0.00 0.00 39.48 39.84 1vbj n PHE 244 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1vbj h ASP 245 N 3.46 0.00 -2.59 4.37 3.58 -1.93 -3.48 116.42 119.83 1vbj h ASP 245 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1vbj h ASP 245 Cb 1.09 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.11 1vbj h ASP 245 CO 0.08 0.26 -0.10 2.22 -2.88 0.00 0.00 179.24 178.83 1vbj n PHE 246 N -3.03 -0.35 -3.67 0.28 -0.00 -1.26 -5.16 117.46 104.27 1vbj n PHE 246 Ca 0.00 -0.70 -0.12 0.00 -0.00 0.00 0.00 57.45 56.64 1vbj n PHE 246 Cb 0.65 0.10 -0.12 0.00 -0.00 0.00 0.00 39.48 40.11 1vbj n PHE 246 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1vbj s GLU 247 N -2.31 0.22 0.15 3.97 2.12 -1.26 -5.08 118.70 116.51 1vbj s GLU 247 Ca 0.10 0.84 -0.31 0.00 0.36 0.00 0.00 54.97 55.96 1vbj s GLU 247 Cb 0.00 0.09 -0.08 0.00 0.26 0.00 0.00 34.13 34.40 1vbj s GLU 247 CO 0.07 -0.26 1.35 -0.51 -0.54 0.00 0.00 175.26 175.37 1vbj s LEU 248 N 2.36 4.39 0.78 2.70 1.02 -1.26 -4.99 118.68 123.68 1vbj s LEU 248 Ca -0.01 2.35 -0.11 0.00 0.02 0.00 0.00 54.13 56.38 1vbj s LEU 248 Cb -0.12 -3.60 0.06 0.00 0.02 0.00 0.00 46.19 42.56 1vbj s LEU 248 CO -0.10 -0.59 1.11 0.42 0.02 0.00 0.00 176.35 177.21 1vbj s THR 249 N 0.64 3.08 0.55 5.49 -4.23 -1.26 -4.80 115.64 115.10 1vbj s THR 249 Ca 0.61 0.37 0.22 0.00 -1.18 0.00 0.00 61.69 61.71 1vbj s THR 249 Cb -0.36 -2.79 0.31 0.00 1.34 0.00 0.00 72.50 70.99 1vbj s THR 249 CO 0.34 -0.44 2.19 0.00 -0.54 0.00 0.00 174.62 176.18 1vbj h ALA 250 N -1.07 1.81 -0.14 3.99 0.00 -1.99 -1.40 119.26 120.45 1vbj h ALA 250 Ca -0.44 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1vbj h ALA 250 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1vbj h ALA 250 CO 0.50 -0.01 -0.02 1.49 0.00 0.00 0.00 179.25 181.20 1vbj h GLU 251 N 0.00 0.27 -0.02 0.00 4.81 -2.00 -2.26 114.58 115.37 1vbj h GLU 251 Ca 0.00 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1vbj h GLU 251 Cb 0.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1vbj h GLU 251 CO -0.00 0.54 -0.34 -0.44 -0.73 0.00 0.00 179.01 178.04 1vbj h ASP 252 N -0.02 0.05 -0.32 1.04 3.45 -1.68 -2.65 116.42 116.28 1vbj h ASP 252 Ca 0.04 -0.01 -0.07 0.00 0.43 0.00 0.00 57.03 57.41 1vbj h ASP 252 Cb 0.43 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.18 1vbj h ASP 252 CO 0.01 0.38 -0.08 0.40 -1.57 0.00 0.00 179.24 178.39 1vbj h ILE 253 N 0.04 1.28 -0.82 0.35 2.04 -1.19 -2.20 117.51 117.01 1vbj h ILE 253 Ca 0.00 -1.13 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1vbj h ILE 253 Cb 0.62 1.35 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1vbj h ILE 253 CO 0.05 0.37 0.46 1.56 0.00 0.00 0.00 178.15 180.58 1vbj h GLN 254 N 0.40 1.14 -0.54 2.37 4.20 -1.23 0.00 115.11 121.45 1vbj h GLN 254 Ca 0.08 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1vbj h GLN 254 Cb 0.57 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.10 1vbj h GLN 254 CO 0.03 0.83 0.28 0.28 -0.67 0.00 0.00 178.83 179.58 1vbj h VAL 255 N 1.14 1.19 -0.29 -0.54 2.07 -1.36 -1.26 116.25 117.20 1vbj h VAL 255 Ca 0.29 -0.52 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 1vbj h VAL 255 Cb 0.02 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1vbj h VAL 255 CO -0.05 0.21 -0.29 0.40 0.02 0.00 0.00 177.57 177.87 1vbj h ILE 256 N 0.73 1.28 0.00 4.57 2.04 -1.06 -1.85 117.51 123.21 1vbj h ILE 256 Ca 0.19 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.64 1vbj h ILE 256 Cb 0.09 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.53 1vbj h ILE 256 CO -0.03 0.44 -0.14 0.44 0.00 0.00 0.00 178.15 178.87 1vbj h ASP 257 N 0.52 0.00 0.44 1.72 3.32 -0.64 -2.29 116.42 119.50 1vbj h ASP 257 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1vbj h ASP 257 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1vbj h ASP 257 CO 0.06 0.14 -0.02 0.61 -1.72 0.00 0.00 179.24 178.31 1vbj n GLY 258 N -0.44 -1.17 0.09 2.75 0.00 -0.51 -3.60 105.19 102.31 1vbj n GLY 258 Ca -0.01 -0.18 0.13 0.00 0.00 0.00 0.00 46.02 45.96 1vbj n GLY 258 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1vbj n MET 259 N -1.18 0.24 -1.56 1.61 2.81 -0.86 -4.94 117.12 113.25 1vbj n MET 259 Ca 0.16 0.19 -0.49 0.00 -1.81 0.00 0.00 57.70 55.74 1vbj n MET 259 Cb 0.23 -1.77 -0.04 0.00 -0.71 0.00 0.00 33.22 30.93 1vbj n MET 259 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1vbj n ASN 260 N -2.19 1.05 0.00 7.83 5.15 -1.03 -4.56 115.26 121.51 1vbj n ASN 260 Ca 0.05 1.14 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 1vbj n ASN 260 Cb 0.42 -1.18 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1vbj n ASN 260 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1vbj n ALA 261 N 1.30 0.87 -2.04 5.20 0.00 -0.56 -4.99 120.51 120.29 1vbj n ALA 261 Ca 0.15 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 1vbj n ALA 261 Cb 0.24 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 1vbj n ALA 261 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vbj n GLY 262 N -0.03 0.52 3.66 0.00 0.00 -0.21 -4.93 105.19 104.19 1vbj n GLY 262 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1vbj n GLY 262 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vbj s HIS 263 N -2.88 3.37 -0.23 1.61 5.65 -0.59 -4.97 115.29 117.25 1vbj s HIS 263 Ca 0.00 1.19 -0.07 0.00 0.25 0.00 0.00 55.06 56.42 1vbj s HIS 263 Cb 0.00 -3.01 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 1vbj s HIS 263 CO 0.00 -0.30 0.07 0.50 -0.65 0.00 0.00 174.74 174.36 1vbj s ARG 264 N 2.41 3.74 0.08 2.88 3.52 -1.26 -4.36 118.95 125.96 1vbj s ARG 264 Ca 0.36 -0.45 0.12 0.00 -0.13 0.00 0.00 55.73 55.64 1vbj s ARG 264 Cb -0.16 -3.29 -0.16 0.00 -1.56 0.00 0.00 34.95 29.78 1vbj s ARG 264 CO 0.10 -0.06 1.02 1.88 -0.81 0.00 0.00 175.30 177.42 1vbj h TYR 265 N 7.82 0.00 -5.59 5.12 0.05 -1.98 -3.47 116.97 118.92 1vbj h TYR 265 Ca -0.37 0.00 -0.33 0.00 0.05 0.00 0.00 58.73 58.08 1vbj h TYR 265 Cb 1.18 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.92 1vbj h TYR 265 CO 0.64 0.83 -0.07 0.41 -1.05 0.00 0.00 178.16 178.92 1vbj n GLY 266 N 1.40 2.15 3.77 3.88 0.00 -1.26 -5.11 105.19 110.02 1vbj n GLY 266 Ca -0.07 -2.21 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 1vbj n GLY 266 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vbj s PRO 267 N -3.67 1.32 -0.27 1.61 0.04 -1.26 -5.02 135.00 127.75 1vbj s PRO 267 Ca 0.36 0.47 -0.17 0.00 0.04 0.00 0.00 61.00 61.69 1vbj s PRO 267 Cb -0.03 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 1vbj s PRO 267 CO 0.23 -2.12 0.50 0.34 0.04 0.00 0.00 177.00 175.99 1vbj s ASP 268 N -3.85 6.40 0.34 6.66 3.68 -1.26 -4.94 116.67 123.70 1vbj s ASP 268 Ca 0.63 0.45 0.11 0.00 2.13 0.00 0.00 52.55 55.87 1vbj s ASP 268 Cb -0.16 -2.27 0.61 0.00 -1.45 0.00 0.00 42.92 39.65 1vbj s ASP 268 CO 0.55 -0.29 1.22 -0.65 0.13 0.00 0.00 175.17 176.13 1vbj h PRO 269 N 8.07 0.00 0.00 4.34 0.11 -1.93 0.09 132.00 142.69 1vbj h PRO 269 Ca -0.29 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.66 1vbj h PRO 269 Cb 1.14 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1vbj h PRO 269 CO 0.71 0.00 -0.80 0.93 -0.21 0.00 0.00 178.00 178.63 1vbj h GLU 270 N 0.00 0.00 0.00 1.05 4.39 -1.92 -3.40 114.58 114.70 1vbj h GLU 270 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1vbj h GLU 270 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1vbj h GLU 270 CO 0.00 0.68 -0.58 1.33 -1.16 0.00 0.00 179.01 179.28 1vbj n VAL 271 N -3.25 0.00 -1.55 3.13 0.24 -0.11 -4.98 118.33 111.82 1vbj n VAL 271 Ca -0.00 -0.07 -0.26 0.00 -2.04 0.00 0.00 64.34 61.96 1vbj n VAL 271 Cb 0.83 0.49 -0.06 0.00 -1.47 0.00 0.00 33.84 33.64 1vbj n VAL 271 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1vbj n PHE 272 N -1.01 1.25 -0.41 6.34 7.35 -0.46 -4.73 117.46 125.78 1vbj n PHE 272 Ca 0.00 0.07 0.08 0.00 -0.76 0.00 0.00 57.45 56.84 1vbj n PHE 272 Cb 0.00 -2.57 0.24 0.00 0.35 0.00 0.00 39.48 37.51 1vbj n PHE 272 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 1vbj n MET 273 N 8.82 3.03 -1.65 -4.13 2.81 -1.26 -4.62 117.12 120.11 1vbj n MET 273 Ca 0.43 -2.45 -0.54 0.00 -1.81 0.00 0.00 57.70 53.33 1vbj n MET 273 Cb 0.47 -1.53 -0.06 0.00 -0.71 0.00 0.00 33.22 31.39 1vbj n MET 273 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1vbj n ASN 274 N 0.75 2.09 -1.00 7.83 5.03 -1.26 -1.74 115.26 126.97 1vbj n ASN 274 Ca 0.18 1.09 -0.13 0.00 0.87 0.00 0.00 54.58 56.60 1vbj n ASN 274 Cb 0.62 -1.18 -0.06 0.00 -1.02 0.00 0.00 39.78 38.14 1vbj n ASN 274 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1vbj n ASP 275 N 3.98 -4.63 -0.80 6.41 9.92 -1.26 -4.76 116.55 125.42 1vbj n ASP 275 Ca 0.22 0.32 0.13 0.00 -0.53 0.00 0.00 54.79 54.93 1vbj n ASP 275 Cb 0.17 -3.27 0.24 0.00 -0.64 0.00 0.00 41.12 37.62 1vbj n ASP 275 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82