#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vbj n SER -3 N 0.00 -5.15 0.26 1.61 2.88 -1.26 -4.50 113.62 107.46 1vbj n SER -3 Ca 0.00 0.73 0.13 0.00 -1.33 0.00 0.00 58.87 58.39 1vbj n SER -3 Cb 0.00 -2.78 0.73 0.00 -0.75 0.00 0.00 64.21 61.41 1vbj n SER -3 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1vbj h PRO -2 N 1.83 0.00 0.28 -1.46 0.11 -1.98 -2.49 132.00 128.28 1vbj h PRO -2 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1vbj h PRO -2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1vbj h PRO -2 CO 0.00 0.11 -0.13 0.93 -0.21 0.00 0.00 178.00 178.70 1vbj h GLU -1 N 0.00 -0.36 -5.34 1.05 3.07 -1.99 -2.66 114.58 108.36 1vbj h GLU -1 Ca -0.00 0.02 -0.66 0.00 -0.50 0.00 0.00 59.36 58.22 1vbj h GLU -1 Cb 0.31 0.08 -0.15 0.00 -0.84 0.00 0.00 28.75 28.14 1vbj h GLU -1 CO 0.01 -0.22 0.94 0.12 -1.40 0.00 0.00 179.01 178.46 1vbj s PHE 0 N -6.06 2.92 0.00 4.33 2.19 -0.94 -2.83 117.98 117.59 1vbj s PHE 0 Ca -0.15 -1.13 0.00 0.00 0.33 0.00 0.00 56.93 55.98 1vbj s PHE 0 Cb 0.05 -4.38 0.00 0.00 -1.31 0.00 0.00 43.02 37.38 1vbj s PHE 0 CO 0.64 -1.62 0.00 -1.33 1.83 0.00 0.00 175.22 174.74 1vbj n MET 1 N 7.26 0.00 -1.73 10.12 2.81 -1.24 -4.69 117.12 129.65 1vbj n MET 1 Ca 0.22 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.69 1vbj n MET 1 Cb 0.49 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.00 1vbj n MET 1 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vbj n ALA 2 N 0.00 1.70 -2.59 3.04 0.00 -1.00 -4.75 120.51 116.91 1vbj n ALA 2 Ca 0.00 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.35 1vbj n ALA 2 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.13 1vbj n ALA 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vbj n LEU 3 N 0.56 5.27 -0.62 0.00 4.77 0.24 -4.77 117.00 122.44 1vbj n LEU 3 Ca 0.04 -4.12 0.13 0.00 -0.03 0.00 0.00 56.01 52.03 1vbj n LEU 3 Cb 0.38 -1.70 0.40 0.00 -2.33 0.00 0.00 43.42 40.17 1vbj n LEU 3 CO 0.62 0.45 0.80 0.35 -1.33 0.00 0.00 177.39 178.28 1vbj n THR 4 N 5.67 0.02 -1.68 -5.08 -2.24 -1.26 -4.40 114.28 105.30 1vbj n THR 4 Ca 0.46 -0.33 -0.49 0.00 -2.27 0.00 0.00 64.05 61.42 1vbj n THR 4 Cb 0.44 0.76 -0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1vbj n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vbj n GLN 5 N 0.52 2.11 -4.31 -0.78 1.13 -1.26 -4.80 117.38 109.98 1vbj n GLN 5 Ca 0.18 0.77 -0.16 0.00 -1.94 0.00 0.00 57.00 55.84 1vbj n GLN 5 Cb 0.42 -2.60 -0.10 0.00 0.11 0.00 0.00 30.24 28.07 1vbj n GLN 5 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 1vbj s SER 6 N 3.63 1.29 0.13 1.08 0.01 -1.26 -0.71 113.70 117.87 1vbj s SER 6 Ca 0.91 -1.34 0.11 0.00 1.31 0.00 0.00 55.95 56.94 1vbj s SER 6 Cb -0.71 0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 1vbj s SER 6 CO 0.51 -0.69 -0.27 -1.48 0.41 0.00 0.00 173.24 171.72 1vbj s LEU 7 N -3.30 2.33 -0.25 2.44 0.05 0.08 -4.82 118.68 115.21 1vbj s LEU 7 Ca 0.35 -0.75 -0.21 0.00 0.05 0.00 0.00 54.13 53.57 1vbj s LEU 7 Cb 0.08 -1.23 -0.02 0.00 -2.05 0.00 0.00 46.19 42.97 1vbj s LEU 7 CO 0.12 0.18 0.68 -0.75 -0.55 0.00 0.00 176.35 176.03 1vbj s LYS 8 N -2.08 4.14 0.85 1.48 2.20 -1.26 -1.00 119.74 124.06 1vbj s LYS 8 Ca 0.14 0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 56.30 1vbj s LYS 8 Cb -0.10 -3.64 0.10 0.00 -1.51 0.00 0.00 37.83 32.68 1vbj s LYS 8 CO 0.06 -0.43 1.11 -0.51 -0.36 0.00 0.00 175.35 175.22 1vbj s LEU 9 N 2.56 2.36 0.63 5.43 1.43 0.31 -4.88 118.68 126.53 1vbj s LEU 9 Ca 0.29 1.25 0.32 0.00 -1.03 0.00 0.00 54.13 54.95 1vbj s LEU 9 Cb -0.15 -3.75 1.73 0.00 0.03 0.00 0.00 46.19 44.05 1vbj s LEU 9 CO 0.08 -2.26 2.03 0.77 0.23 0.00 0.00 176.35 177.20 1vbj h SER 10 N -1.29 0.00 -0.67 2.29 4.64 -1.85 -0.43 113.55 116.24 1vbj h SER 10 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1vbj h SER 10 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1vbj h SER 10 CO 0.59 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.09 1vbj n ASN 11 N -3.32 4.40 0.00 4.97 6.94 -1.26 -4.94 115.26 122.05 1vbj n ASN 11 Ca 0.01 -2.28 0.00 0.00 -0.02 0.00 0.00 54.58 52.29 1vbj n ASN 11 Cb 0.37 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.24 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 1.33 1.31 3.75 4.83 0.00 -0.17 -5.04 105.19 111.19 1vbj n GLY 12 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.58 3.77 -0.16 1.61 1.01 -1.26 -4.75 120.40 118.05 1vbj s VAL 13 Ca 0.00 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.44 1vbj s VAL 13 Cb 0.00 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.29 1vbj s VAL 13 CO 0.00 0.34 0.54 -0.04 0.00 0.00 0.00 175.10 175.94 1vbj s MET 14 N -0.89 4.28 -0.15 2.72 -1.94 -1.26 -0.53 119.30 121.53 1vbj s MET 14 Ca 0.46 0.51 0.02 0.00 -1.71 0.00 0.00 55.69 54.97 1vbj s MET 14 Cb -0.30 -3.51 0.01 0.00 2.01 0.00 0.00 34.83 33.05 1vbj s MET 14 CO 0.37 -0.03 -0.20 1.41 -0.01 0.00 0.00 175.02 176.55 1vbj s MET 15 N 1.22 2.91 0.08 2.03 0.00 -0.17 -4.93 119.30 120.45 1vbj s MET 15 Ca 0.27 -0.81 -0.33 0.00 0.00 0.00 0.00 55.69 54.82 1vbj s MET 15 Cb -0.16 -2.41 -0.12 0.00 0.00 0.00 0.00 34.83 32.14 1vbj s MET 15 CO 0.11 -0.09 1.75 -2.30 0.00 0.00 0.00 175.02 174.50 1vbj n PRO 16 N 4.27 2.39 0.03 4.11 -0.02 -1.26 -0.74 135.00 143.79 1vbj n PRO 16 Ca -0.20 0.87 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1vbj n PRO 16 Cb 0.51 -2.70 0.26 0.00 -0.02 0.00 0.00 33.50 31.54 1vbj n PRO 16 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1vbj n VAL 17 N 4.34 1.30 -4.62 -1.45 0.24 0.11 -4.45 118.33 113.80 1vbj n VAL 17 Ca 0.19 0.37 -0.29 0.00 -2.04 0.00 0.00 64.34 62.56 1vbj n VAL 17 Cb 0.32 -1.24 -0.17 0.00 -1.47 0.00 0.00 33.84 31.28 1vbj n VAL 17 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1vbj s LEU 18 N -3.32 1.84 0.26 1.34 2.96 -1.26 0.12 118.68 120.63 1vbj s LEU 18 Ca 0.04 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1vbj s LEU 18 Cb 0.06 -1.18 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 1vbj s LEU 18 CO 0.19 0.05 0.07 -0.83 -1.32 0.00 0.00 176.35 174.51 1vbj s GLY 19 N 0.83 1.76 -0.31 7.98 0.00 0.11 -4.41 107.32 113.28 1vbj s GLY 19 Ca -0.09 -1.88 -0.10 0.00 0.00 0.00 0.00 44.72 42.65 1vbj s GLY 19 CO 0.00 -1.64 0.16 -0.12 0.00 0.00 0.00 173.10 171.50 1vbj s PHE 20 N -3.63 3.18 0.20 1.90 5.36 0.00 -3.17 117.98 121.82 1vbj s PHE 20 Ca 0.36 -0.48 -0.30 0.00 -0.96 0.00 0.00 56.93 55.55 1vbj s PHE 20 Cb 0.08 -2.36 -0.08 0.00 -0.34 0.00 0.00 43.02 40.32 1vbj s PHE 20 CO 0.13 -0.42 1.00 0.20 -1.46 0.00 0.00 175.22 174.67 1vbj s GLY 21 N 1.63 3.03 0.00 13.12 0.00 -0.39 -0.80 107.32 123.92 1vbj s GLY 21 Ca 0.05 0.69 0.06 0.00 0.00 0.00 0.00 44.72 45.52 1vbj s GLY 21 CO 0.07 1.40 1.08 1.03 0.00 0.00 0.00 173.10 176.68 1vbj n MET 22 N 1.97 2.45 -1.65 2.90 2.81 -0.71 -4.31 117.12 120.58 1vbj n MET 22 Ca 0.00 -1.68 -0.44 0.00 -1.81 0.00 0.00 57.70 53.77 1vbj n MET 22 Cb 0.47 -1.15 -0.04 0.00 -0.71 0.00 0.00 33.22 31.79 1vbj n MET 22 CO 0.00 0.00 0.00 1.87 1.51 0.00 0.00 175.97 179.35 1vbj n TRP 23 N 0.14 2.35 -3.32 2.03 -0.00 -1.26 -2.92 117.44 114.46 1vbj n TRP 23 Ca 0.06 -0.22 -0.16 0.00 -0.00 0.00 0.00 57.50 57.18 1vbj n TRP 23 Cb 0.32 -2.75 0.08 0.00 -0.00 0.00 0.00 31.31 28.97 1vbj n TRP 23 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 177.69 178.05 1vbj n LYS 24 N 7.51 -6.15 -0.21 5.87 2.85 -1.26 -4.97 118.16 121.80 1vbj n LYS 24 Ca 0.23 0.76 0.08 0.00 -1.05 0.00 0.00 58.31 58.33 1vbj n LYS 24 Cb 0.38 -5.52 0.22 0.00 -0.65 0.00 0.00 35.03 29.45 1vbj n LYS 24 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1vbj n LEU 25 N -3.93 2.37 -2.16 -5.58 4.32 -1.15 -5.02 117.00 105.85 1vbj n LEU 25 Ca -0.21 -1.16 0.00 0.00 -0.02 0.00 0.00 56.01 54.62 1vbj n LEU 25 Cb 0.64 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1vbj n LEU 25 CO 0.55 0.58 -0.43 0.00 -1.22 0.00 0.00 177.39 176.87 1vbj n GLN 26 N 0.79 -4.66 -1.71 3.23 1.13 -1.26 -0.70 117.38 114.20 1vbj n GLN 26 Ca 0.15 3.43 -0.41 0.00 -1.94 0.00 0.00 57.00 58.23 1vbj n GLN 26 Cb 0.38 -4.19 0.01 0.00 0.11 0.00 0.00 30.24 26.55 1vbj n GLN 26 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1vbj n ASP 27 N 1.63 2.68 0.00 1.08 2.03 -1.26 -1.59 116.55 121.12 1vbj n ASP 27 Ca 0.00 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.44 1vbj n ASP 27 Cb 0.00 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 38.89 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 0.78 0.47 0.22 0.27 0.00 -1.26 -4.68 105.19 100.98 1vbj n GLY 28 Ca 0.06 -1.70 -0.07 0.00 0.00 0.00 0.00 46.02 44.31 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 0.61 0.41 1.61 -1.24 -1.95 -1.66 115.58 113.36 1vbj h ASN 29 Ca 0.00 -0.06 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 1vbj h ASN 29 Cb 0.00 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.89 1vbj h ASN 29 CO 0.00 0.49 -0.28 -0.08 -1.29 0.00 0.00 177.43 176.26 1vbj h GLU 30 N 0.68 -0.63 -0.52 6.67 4.81 -1.79 0.25 114.58 124.03 1vbj h GLU 30 Ca 0.18 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 1vbj h GLU 30 Cb -0.01 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1vbj h GLU 30 CO -0.03 -0.42 0.24 0.00 -0.73 0.00 0.00 179.01 178.06 1vbj h ALA 31 N -1.43 0.66 -0.09 2.92 0.00 0.10 -0.87 119.26 120.55 1vbj h ALA 31 Ca -0.05 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1vbj h ALA 31 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vbj h ALA 31 CO 0.03 -0.13 0.01 1.49 0.00 0.00 0.00 179.25 180.66 1vbj h GLU 32 N 0.46 0.05 -0.46 0.00 4.81 -1.23 -0.75 114.58 117.46 1vbj h GLU 32 Ca 0.24 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.40 1vbj h GLU 32 Cb 0.19 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1vbj h GLU 32 CO -0.20 0.03 0.01 1.79 -0.73 0.00 0.00 179.01 179.92 1vbj h THR 33 N 0.05 1.26 -0.70 0.32 1.35 -0.26 -1.49 112.91 113.43 1vbj h THR 33 Ca 0.04 -1.03 -0.01 0.00 -0.55 0.00 0.00 66.41 64.85 1vbj h THR 33 Cb 0.03 1.03 -0.03 0.00 -1.73 0.00 0.00 68.15 67.45 1vbj h THR 33 CO -0.05 0.36 0.38 0.00 -0.25 0.00 0.00 175.52 175.95 1vbj h ALA 34 N 0.92 0.90 -0.37 6.62 0.00 -1.04 -0.21 119.26 126.08 1vbj h ALA 34 Ca 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1vbj h ALA 34 Cb 0.49 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1vbj h ALA 34 CO 0.02 0.42 -0.05 1.15 0.00 0.00 0.00 179.25 180.79 1vbj h THR 35 N 0.96 1.23 -0.37 0.00 2.02 -1.01 -1.71 112.91 114.03 1vbj h THR 35 Ca 0.25 -0.96 -0.12 0.00 0.77 0.00 0.00 66.41 66.35 1vbj h THR 35 Cb 0.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1vbj h THR 35 CO -0.04 0.32 -0.25 -0.03 0.37 0.00 0.00 175.52 175.89 1vbj h MET 36 N 0.57 0.82 -0.86 6.66 -1.53 -0.60 -1.02 114.93 118.96 1vbj h MET 36 Ca 0.11 -0.39 0.03 0.00 -3.44 0.00 0.00 59.70 56.01 1vbj h MET 36 Cb 0.44 -0.01 -0.05 0.00 -0.55 0.00 0.00 31.60 31.43 1vbj h MET 36 CO 0.02 1.03 0.56 -1.49 0.14 0.00 0.00 176.91 177.17 1vbj h TRP 37 N 0.62 1.05 0.47 1.39 6.55 -0.69 0.17 115.95 125.52 1vbj h TRP 37 Ca 0.07 0.03 -0.02 0.00 0.95 0.00 0.00 58.89 59.92 1vbj h TRP 37 Cb 0.82 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 28.78 1vbj h TRP 37 CO 0.06 0.61 -0.23 0.00 -1.05 0.00 0.00 178.44 177.84 1vbj h ALA 38 N 1.35 -0.63 -0.85 1.49 0.00 -1.04 -0.43 119.26 119.14 1vbj h ALA 38 Ca 0.34 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.17 1vbj h ALA 38 Cb -0.01 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1vbj h ALA 38 CO -0.11 -0.80 0.51 0.82 0.00 0.00 0.00 179.25 179.67 1vbj h ILE 39 N -0.74 0.97 0.00 0.00 2.04 -0.90 0.08 117.51 118.96 1vbj h ILE 39 Ca -0.06 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.45 1vbj h ILE 39 Cb 0.54 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 1vbj h ILE 39 CO 0.11 0.16 -0.17 0.11 0.00 0.00 0.00 178.15 178.36 1vbj h LYS 40 N 0.89 0.00 0.00 2.37 1.57 -0.84 -2.52 116.57 118.03 1vbj h LYS 40 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 1vbj h LYS 40 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1vbj h LYS 40 CO -0.21 0.17 0.00 0.43 -0.57 0.00 0.00 179.45 179.27 1vbj n SER 41 N -3.40 0.65 0.00 0.86 7.64 -0.03 -4.90 113.62 114.43 1vbj n SER 41 Ca -0.00 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.44 1vbj n SER 41 Cb 0.37 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 1.33 1.07 3.76 0.23 0.00 -0.95 -4.84 105.19 105.79 1vbj n GLY 42 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.59 2.97 -0.06 1.61 2.02 -0.91 0.80 117.35 122.19 1vbj s TYR 43 Ca 0.00 1.20 0.13 0.00 -0.37 0.00 0.00 57.07 58.03 1vbj s TYR 43 Cb 0.00 -3.79 0.24 0.00 -0.40 0.00 0.00 41.96 38.01 1vbj s TYR 43 CO 0.00 -2.38 1.11 0.54 -1.57 0.00 0.00 175.55 173.25 1vbj n ARG 44 N 1.46 0.52 -3.69 -0.62 5.12 -1.26 -4.43 116.66 113.75 1vbj n ARG 44 Ca 0.03 -1.96 -0.13 0.00 -1.93 0.00 0.00 57.85 53.86 1vbj n ARG 44 Cb 0.41 -0.75 -0.13 0.00 -1.16 0.00 0.00 32.46 30.83 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 -1.11 -0.40 -0.05 -1.55 2.46 -1.26 -0.52 115.29 112.86 1vbj s HIS 45 Ca 0.22 0.92 0.04 0.00 0.47 0.00 0.00 55.06 56.70 1vbj s HIS 45 Cb 0.22 0.02 -0.00 0.00 -0.13 0.00 0.00 32.58 32.69 1vbj s HIS 45 CO -0.05 -0.31 -0.16 0.42 -2.47 0.00 0.00 174.74 172.18 1vbj s ILE 46 N 1.89 1.35 -0.18 0.89 1.01 0.29 -0.82 121.20 125.64 1vbj s ILE 46 Ca -0.04 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1vbj s ILE 46 Cb -0.11 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.19 1vbj s ILE 46 CO -0.09 0.39 -0.14 -0.62 0.00 0.00 0.00 174.94 174.48 1vbj s ASP 47 N 0.16 3.58 0.05 3.58 2.15 0.02 -1.29 116.67 124.92 1vbj s ASP 47 Ca -0.06 -0.53 0.01 0.00 0.43 0.00 0.00 52.55 52.39 1vbj s ASP 47 Cb -0.12 -1.57 -0.00 0.00 -0.30 0.00 0.00 42.92 40.92 1vbj s ASP 47 CO 0.03 0.02 0.03 0.41 -0.17 0.00 0.00 175.17 175.48 1vbj n THR 48 N 4.53 0.00 -3.61 1.71 -1.04 -0.17 -1.74 114.28 113.97 1vbj n THR 48 Ca -0.20 -0.31 -0.10 0.00 -2.04 0.00 0.00 64.05 61.40 1vbj n THR 48 Cb 0.51 0.13 -0.06 0.00 -1.82 0.00 0.00 70.33 69.08 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 -2.16 -1.94 0.18 2.41 0.00 -1.26 -3.80 121.76 115.19 1vbj s ALA 49 Ca 0.04 1.74 -0.21 0.00 0.00 0.00 0.00 51.96 53.53 1vbj s ALA 49 Cb 0.00 -1.09 0.10 0.00 0.00 0.00 0.00 23.12 22.13 1vbj s ALA 49 CO 0.03 -0.27 1.59 0.00 0.00 0.00 0.00 175.76 177.11 1vbj h ALA 50 N 3.53 -0.08 0.00 0.00 0.00 -1.92 0.16 119.26 120.95 1vbj h ALA 50 Ca -0.24 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1vbj h ALA 50 Cb 1.17 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1vbj h ALA 50 CO 0.20 -0.68 0.32 0.97 0.00 0.00 0.00 179.25 180.05 1vbj h ILE 51 N -0.19 0.00 0.00 0.00 -0.00 -1.97 -0.03 117.51 115.32 1vbj h ILE 51 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.07 1vbj h ILE 51 Cb 0.54 0.61 0.00 0.00 -0.00 0.00 0.00 36.82 37.97 1vbj h ILE 51 CO -0.61 0.00 0.00 1.88 -0.00 0.00 0.00 178.15 179.42 1vbj h TYR 52 N 0.00 0.00 -4.75 2.19 0.05 -1.08 -3.47 116.97 109.91 1vbj h TYR 52 Ca 0.00 0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.37 1vbj h TYR 52 Cb 0.64 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.44 1vbj h TYR 52 CO 0.00 0.00 -0.62 1.63 -1.05 0.00 0.00 178.16 178.12 1vbj n LYS 53 N -2.88 -5.12 -0.41 4.88 4.76 -0.02 -4.74 118.16 114.63 1vbj n LYS 53 Ca 0.03 0.86 0.00 0.00 -2.87 0.00 0.00 58.31 56.33 1vbj n LYS 53 Cb 0.40 -5.73 0.00 0.00 -1.84 0.00 0.00 35.03 27.86 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 -2.57 0.00 -0.33 4.39 0.23 -1.26 -4.32 115.26 111.41 1vbj n ASN 54 Ca -0.09 -1.77 -0.01 0.00 -0.53 0.00 0.00 54.58 52.18 1vbj n ASN 54 Cb 0.61 -0.15 0.12 0.00 -2.08 0.00 0.00 39.78 38.27 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 0.00 1.08 -0.84 -3.83 5.08 -1.89 -1.90 114.58 112.29 1vbj h GLU 55 Ca 0.00 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1vbj h GLU 55 Cb 1.31 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.27 1vbj h GLU 55 CO 0.00 0.72 0.54 0.93 -1.00 0.00 0.00 179.01 180.20 1vbj h GLU 56 N 1.11 1.03 -0.84 2.33 5.08 -1.90 0.63 114.58 122.02 1vbj h GLU 56 Ca 0.36 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1vbj h GLU 56 Cb 0.02 -0.23 -0.04 0.00 0.50 0.00 0.00 28.75 29.00 1vbj h GLU 56 CO -0.12 0.68 0.39 0.77 -1.00 0.00 0.00 179.01 179.73 1vbj h SER 57 N 1.06 1.11 -0.44 1.42 0.02 -1.67 -1.76 113.55 113.30 1vbj h SER 57 Ca 0.33 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1vbj h SER 57 Cb -0.01 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1vbj h SER 57 CO -0.11 0.94 0.25 0.00 -1.14 0.00 0.00 176.83 176.77 1vbj h ALA 58 N 1.21 0.56 -0.23 3.77 0.00 -0.53 -2.46 119.26 121.57 1vbj h ALA 58 Ca 0.29 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.15 1vbj h ALA 58 Cb 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1vbj h ALA 58 CO -0.03 0.07 0.06 0.78 0.00 0.00 0.00 179.25 180.13 1vbj h GLY 59 N 0.58 0.27 0.75 0.00 0.00 -0.36 -1.41 103.07 102.90 1vbj h GLY 59 Ca 0.16 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.51 1vbj h GLY 59 CO -0.03 0.01 0.45 3.21 0.00 0.00 0.00 176.54 180.18 1vbj h ARG 60 N 0.15 0.82 -0.24 4.80 3.08 -1.17 0.17 114.38 121.99 1vbj h ARG 60 Ca 0.11 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.11 1vbj h ARG 60 Cb 0.09 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1vbj h ARG 60 CO -0.13 0.54 0.14 0.00 -1.07 0.00 0.00 179.97 179.45 1vbj h ALA 61 N 1.35 0.30 -0.80 0.04 0.00 -1.06 0.14 119.26 119.24 1vbj h ALA 61 Ca 0.32 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1vbj h ALA 61 Cb 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1vbj h ALA 61 CO -0.16 -0.25 0.42 0.82 0.00 0.00 0.00 179.25 180.08 1vbj h ILE 62 N 0.30 1.24 0.00 0.00 2.04 -0.46 0.13 117.51 120.76 1vbj h ILE 62 Ca 0.09 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1vbj h ILE 62 Cb -0.01 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.27 1vbj h ILE 62 CO -0.04 0.28 0.00 0.00 0.00 0.00 0.00 178.15 178.39 1vbj h ALA 63 N 1.22 1.00 0.00 1.87 0.00 -0.23 -3.29 119.26 119.84 1vbj h ALA 63 Ca 0.28 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.88 1vbj h ALA 63 Cb 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1vbj h ALA 63 CO -0.04 0.00 -2.25 0.43 0.00 0.00 0.00 179.25 177.39 1vbj n SER 64 N -2.74 0.09 -4.71 0.00 7.64 0.44 -4.97 113.62 109.38 1vbj n SER 64 Ca 0.03 0.04 -0.31 0.00 1.01 0.00 0.00 58.87 59.64 1vbj n SER 64 Cb 0.37 1.03 0.14 0.00 -1.01 0.00 0.00 64.21 64.74 1vbj n SER 64 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vbj n GLY 66 N -0.47 2.70 3.53 0.00 0.00 -1.26 -4.89 105.19 104.80 1vbj n GLY 66 Ca 0.10 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1vbj n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vbj s VAL 67 N -1.98 3.71 0.45 1.61 0.11 -1.26 -5.09 120.40 117.94 1vbj s VAL 67 Ca 0.32 -0.45 -0.25 0.00 -2.93 0.00 0.00 61.98 58.67 1vbj s VAL 67 Cb 0.25 -2.57 -0.08 0.00 -1.53 0.00 0.00 36.38 32.45 1vbj s VAL 67 CO 0.08 0.55 1.43 -2.16 -3.33 0.00 0.00 175.10 171.68 1vbj s PRO 68 N -0.21 3.70 0.38 1.54 0.04 -1.26 -4.88 135.00 134.30 1vbj s PRO 68 Ca 0.03 2.43 0.17 0.00 0.04 0.00 0.00 61.00 63.68 1vbj s PRO 68 Cb -0.13 -2.67 1.10 0.00 0.04 0.00 0.00 34.50 32.84 1vbj s PRO 68 CO 0.03 -0.81 1.73 -0.09 0.04 0.00 0.00 177.00 177.89 1vbj h ARG 69 N 2.36 0.37 -0.06 4.56 1.12 -1.94 -0.39 114.38 120.40 1vbj h ARG 69 Ca -0.51 -0.02 0.02 0.00 -1.11 0.00 0.00 59.98 58.35 1vbj h ARG 69 Cb 1.26 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 31.14 1vbj h ARG 69 CO 0.61 0.25 0.04 1.05 -3.11 0.00 0.00 179.97 178.81 1vbj h GLU 70 N 0.38 0.00 -0.11 0.20 4.11 -2.03 -1.59 114.58 115.54 1vbj h GLU 70 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.09 1vbj h GLU 70 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1vbj h GLU 70 CO -0.39 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.08 1vbj n GLU 71 N -4.34 1.71 -4.80 1.06 1.02 -0.16 -4.87 120.64 110.26 1vbj n GLU 71 Ca -0.02 -1.06 -0.33 0.00 -0.02 0.00 0.00 57.16 55.74 1vbj n GLU 71 Cb 0.14 -1.43 -0.13 0.00 -0.02 0.00 0.00 31.44 30.01 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 -1.72 2.84 -0.32 -4.62 1.43 -0.60 -4.81 118.68 110.88 1vbj s LEU 72 Ca 0.34 -0.17 -0.08 0.00 -1.03 0.00 0.00 54.13 53.19 1vbj s LEU 72 Cb 0.19 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.82 1vbj s LEU 72 CO 0.29 0.32 0.13 0.12 0.23 0.00 0.00 176.35 177.44 1vbj s PHE 73 N -0.56 3.19 -0.16 0.29 5.36 0.32 -4.94 117.98 121.49 1vbj s PHE 73 Ca 0.08 -0.93 -0.01 0.00 -0.96 0.00 0.00 56.93 55.10 1vbj s PHE 73 Cb -0.12 -2.33 -0.01 0.00 -0.34 0.00 0.00 43.02 40.23 1vbj s PHE 73 CO 0.02 -0.58 -0.11 0.08 -1.46 0.00 0.00 175.22 173.16 1vbj s VAL 74 N 1.53 3.10 -0.08 3.12 1.01 -1.26 -0.54 120.40 127.28 1vbj s VAL 74 Ca 0.02 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1vbj s VAL 74 Cb -0.18 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1vbj s VAL 74 CO 0.04 0.50 -0.19 -0.89 0.00 0.00 0.00 175.10 174.56 1vbj s THR 75 N 0.68 2.57 0.26 3.92 2.01 -0.41 -2.10 115.64 122.57 1vbj s THR 75 Ca -0.06 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.09 1vbj s THR 75 Cb -0.15 -2.00 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 1vbj s THR 75 CO 0.02 0.56 0.08 -0.89 -0.69 0.00 0.00 174.62 173.70 1vbj s THR 76 N -0.14 0.70 0.09 -0.82 2.01 -0.94 -0.99 115.64 115.56 1vbj s THR 76 Ca -0.03 -2.00 0.04 0.00 0.31 0.00 0.00 61.69 60.01 1vbj s THR 76 Cb -0.14 -2.61 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1vbj s THR 76 CO 0.04 -0.06 -0.11 -0.54 -0.69 0.00 0.00 174.62 173.26 1vbj s LYS 77 N -3.99 0.83 -0.38 4.92 1.02 -1.25 -2.10 119.74 118.79 1vbj s LYS 77 Ca 0.36 -1.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.04 1vbj s LYS 77 Cb 0.08 -0.59 0.01 0.00 -0.52 0.00 0.00 37.83 36.81 1vbj s LYS 77 CO 0.13 0.10 0.69 -1.17 -0.92 0.00 0.00 175.35 174.19 1vbj s LEU 78 N -2.26 4.26 0.55 3.17 2.96 0.39 -3.17 118.68 124.57 1vbj s LEU 78 Ca 0.03 0.10 -0.20 0.00 -0.22 0.00 0.00 54.13 53.85 1vbj s LEU 78 Cb -0.05 -2.86 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 1vbj s LEU 78 CO 0.01 -0.70 1.17 0.86 -1.32 0.00 0.00 176.35 176.37 1vbj s TRP 79 N 2.90 2.59 0.30 5.38 -0.00 -1.26 -2.35 118.94 126.50 1vbj s TRP 79 Ca 0.27 1.53 0.05 0.00 -0.00 0.00 0.00 56.10 57.95 1vbj s TRP 79 Cb -0.14 -3.38 0.79 0.00 -0.00 0.00 0.00 33.47 30.74 1vbj s TRP 79 CO 0.17 -1.81 1.68 -0.91 -0.00 0.00 0.00 176.95 176.08 1vbj h ASN 80 N 1.21 0.31 0.22 5.86 2.35 -1.90 -0.34 115.58 123.30 1vbj h ASN 80 Ca -0.50 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1vbj h ASN 80 Cb 1.27 0.16 0.00 0.00 0.05 0.00 0.00 38.32 39.80 1vbj h ASN 80 CO 0.57 -0.05 0.00 0.77 -1.65 0.00 0.00 177.43 177.07 1vbj h SER 81 N 0.36 0.00 -0.48 5.81 4.64 -1.86 -2.58 113.55 119.44 1vbj h SER 81 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 1vbj h SER 81 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1vbj h SER 81 CO -0.56 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.87 1vbj n ASP 82 N -2.30 3.34 -4.76 4.97 8.00 -0.14 -5.02 116.55 120.64 1vbj n ASP 82 Ca -0.00 -2.04 -0.36 0.00 0.71 0.00 0.00 54.79 53.09 1vbj n ASP 82 Cb 0.10 -0.33 0.03 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.07 3.14 0.00 -1.24 -0.21 -0.97 -2.76 119.66 116.54 1vbj s GLN 83 Ca 0.33 1.85 0.00 0.00 0.02 0.00 0.00 55.36 57.56 1vbj s GLN 83 Cb 0.18 -2.04 0.00 0.00 1.00 0.00 0.00 33.01 32.15 1vbj s GLN 83 CO 0.22 -1.08 0.00 0.41 -2.12 0.00 0.00 175.29 172.72 1vbj n GLY 84 N 0.49 3.77 0.06 3.09 0.00 -1.26 -4.74 105.19 106.61 1vbj n GLY 84 Ca 0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.17 -0.03 1.61 3.20 -1.88 0.19 116.97 119.89 1vbj h TYR 85 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 1vbj h TYR 85 Cb 0.00 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.33 1vbj h TYR 85 CO 0.00 -0.07 -0.19 1.49 -1.64 0.00 0.00 178.16 177.75 1vbj h GLU 86 N -0.10 0.05 -0.25 1.82 4.57 -1.94 -2.25 114.58 116.47 1vbj h GLU 86 Ca -0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 1vbj h GLU 86 Cb 0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1vbj h GLU 86 CO -0.02 0.24 -0.30 0.77 -1.18 0.00 0.00 179.01 178.52 1vbj h SER 87 N 0.05 0.52 -0.07 1.04 0.02 -1.76 -2.62 113.55 110.73 1vbj h SER 87 Ca 0.01 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1vbj h SER 87 Cb 0.36 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1vbj h SER 87 CO 0.03 0.80 -0.08 0.74 -1.14 0.00 0.00 176.83 177.18 1vbj h THR 88 N 0.44 1.38 -0.81 -2.27 2.02 -0.04 -1.01 112.91 112.63 1vbj h THR 88 Ca 0.06 -1.28 0.09 0.00 0.77 0.00 0.00 66.41 66.05 1vbj h THR 88 Cb 0.75 2.08 -0.07 0.00 -1.74 0.00 0.00 68.15 69.16 1vbj h THR 88 CO 0.06 0.35 0.46 -0.07 0.37 0.00 0.00 175.52 176.69 1vbj h LEU 89 N -0.27 0.66 -0.66 2.58 3.38 -1.44 0.17 115.31 119.73 1vbj h LEU 89 Ca 0.01 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1vbj h LEU 89 Cb 0.61 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1vbj h LEU 89 CO 0.02 0.38 -0.22 0.28 0.09 0.00 0.00 178.44 179.00 1vbj h SER 90 N 0.78 0.83 -0.44 -0.43 0.02 -1.42 -2.11 113.55 110.77 1vbj h SER 90 Ca 0.39 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1vbj h SER 90 Cb 0.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1vbj h SER 90 CO -0.24 1.02 -0.06 0.00 -1.14 0.00 0.00 176.83 176.41 1vbj h ALA 91 N 1.04 0.61 -0.65 3.77 0.00 -0.16 -2.54 119.26 121.33 1vbj h ALA 91 Ca 0.10 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vbj h ALA 91 Cb 0.74 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 1vbj h ALA 91 CO 0.06 0.45 0.42 0.35 0.00 0.00 0.00 179.25 180.53 1vbj h PHE 92 N 0.66 0.80 -0.54 0.00 3.57 -0.54 -1.20 116.94 119.68 1vbj h PHE 92 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1vbj h PHE 92 Cb 0.58 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1vbj h PHE 92 CO 0.04 0.49 0.35 0.93 -2.23 0.00 0.00 178.31 177.90 1vbj h GLU 93 N 0.85 0.72 -0.36 1.11 4.39 -1.26 0.15 114.58 120.18 1vbj h GLU 93 Ca 0.25 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1vbj h GLU 93 Cb -0.06 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1vbj h GLU 93 CO -0.07 0.49 0.23 -0.22 -1.16 0.00 0.00 179.01 178.28 1vbj h LYS 94 N 0.74 0.48 0.05 2.33 3.64 -1.00 -0.36 116.57 122.45 1vbj h LYS 94 Ca 0.20 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1vbj h LYS 94 Cb -0.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1vbj h LYS 94 CO -0.04 0.34 -0.02 0.77 -2.27 0.00 0.00 179.45 178.22 1vbj h SER 95 N 0.48 -0.05 -0.62 4.20 0.02 -0.85 -2.35 113.55 114.38 1vbj h SER 95 Ca 0.13 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1vbj h SER 95 Cb -0.03 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1vbj h SER 95 CO -0.03 0.06 0.40 -0.29 -1.14 0.00 0.00 176.83 175.83 1vbj h ILE 96 N -0.16 1.17 0.00 3.27 6.09 -0.56 -1.35 117.51 125.97 1vbj h ILE 96 Ca -0.01 -0.32 -0.09 0.00 -1.37 0.00 0.00 64.86 63.07 1vbj h ILE 96 Cb 0.14 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.68 1vbj h ILE 96 CO 0.01 0.16 -0.41 0.11 -3.07 0.00 0.00 178.15 174.95 1vbj h LYS 97 N 0.85 0.00 0.10 2.19 1.57 -0.88 -0.63 116.57 119.76 1vbj h LYS 97 Ca 0.23 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.74 1vbj h LYS 97 Cb -0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.24 1vbj h LYS 97 CO -0.05 0.41 -1.17 0.87 -0.57 0.00 0.00 179.45 178.94 1vbj h LYS 98 N 0.00 0.37 0.00 3.15 1.57 -0.82 -3.03 116.57 117.80 1vbj h LYS 98 Ca -0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1vbj h LYS 98 Cb 0.76 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.25 1vbj h LYS 98 CO 0.05 1.22 0.00 1.28 -0.57 0.00 0.00 179.45 181.43 1vbj n LEU 99 N -3.64 0.72 -3.76 2.94 4.77 -0.58 -3.66 117.00 113.80 1vbj n LEU 99 Ca -0.09 0.62 -0.24 0.00 -0.03 0.00 0.00 56.01 56.27 1vbj n LEU 99 Cb 0.97 -0.45 0.03 0.00 -2.33 0.00 0.00 43.42 41.64 1vbj n LEU 99 CO 0.54 -0.37 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1vbj n GLY 100 N 0.65 -0.36 3.53 -0.72 0.00 -0.26 -4.36 105.19 103.67 1vbj n GLY 100 Ca 0.04 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 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 -6.88 2.63 0.05 0.99 1.43 -1.10 -5.03 118.68 110.76 1vbj s LEU 101 Ca 0.23 -1.30 0.23 0.00 -1.03 0.00 0.00 54.13 52.26 1vbj s LEU 101 Cb -0.11 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.37 1vbj s LEU 101 CO 0.81 -0.41 1.01 -0.62 0.23 0.00 0.00 176.35 177.37 1vbj n GLU 102 N -0.80 0.30 -3.55 1.70 -0.58 -1.26 -4.81 120.64 111.64 1vbj n GLU 102 Ca -0.04 -0.01 -0.10 0.00 -0.42 0.00 0.00 57.16 56.59 1vbj n GLU 102 Cb 0.65 -1.59 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 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 -3.20 -0.36 -0.06 -0.32 -0.85 -1.26 -4.87 117.35 106.43 1vbj s TYR 103 Ca 0.03 0.48 0.00 0.00 -0.52 0.00 0.00 57.07 57.07 1vbj s TYR 103 Cb 0.14 0.48 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 1vbj s TYR 103 CO 0.80 -0.41 -0.04 0.08 -1.52 0.00 0.00 175.55 174.47 1vbj s VAL 104 N -1.84 3.97 0.12 -3.49 1.01 0.12 -4.98 120.40 115.31 1vbj s VAL 104 Ca 0.01 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1vbj s VAL 104 Cb -0.01 -2.67 -0.12 0.00 0.00 0.00 0.00 36.38 33.59 1vbj s VAL 104 CO -0.02 0.56 1.37 0.44 0.00 0.00 0.00 175.10 177.45 1vbj h ASP 105 N 5.04 0.94 -3.59 3.32 3.32 -1.73 -1.02 116.42 122.71 1vbj h ASP 105 Ca -0.49 -0.56 -0.19 0.00 0.02 0.00 0.00 57.03 55.81 1vbj h ASP 105 Cb 1.18 -0.27 -0.28 0.00 0.22 0.00 0.00 39.33 40.17 1vbj h ASP 105 CO 0.54 1.35 -0.49 -0.22 -1.72 0.00 0.00 179.24 178.70 1vbj s LEU 106 N -8.55 0.83 -0.07 1.55 2.96 -1.03 -1.55 118.68 112.82 1vbj s LEU 106 Ca -0.10 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1vbj s LEU 106 Cb 0.10 0.70 0.00 0.00 0.50 0.00 0.00 46.19 47.48 1vbj s LEU 106 CO 0.90 -0.12 -0.18 -0.47 -1.32 0.00 0.00 176.35 175.16 1vbj s TYR 107 N 0.67 1.90 0.07 5.38 5.04 -1.09 -2.21 117.35 127.11 1vbj s TYR 107 Ca -0.05 -0.67 0.07 0.00 -2.44 0.00 0.00 57.07 53.98 1vbj s TYR 107 Cb -0.06 -1.30 -0.03 0.00 0.35 0.00 0.00 41.96 40.92 1vbj s TYR 107 CO -0.04 -0.28 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.20 1vbj s LEU 108 N 0.33 2.23 -0.31 6.97 1.43 -0.89 -1.00 118.68 127.43 1vbj s LEU 108 Ca -0.12 -0.57 -0.27 0.00 -1.03 0.00 0.00 54.13 52.13 1vbj s LEU 108 Cb -0.15 -0.80 0.01 0.00 0.03 0.00 0.00 46.19 45.28 1vbj s LEU 108 CO 0.05 0.07 0.99 -0.63 0.23 0.00 0.00 176.35 177.05 1vbj s ILE 109 N -0.99 4.61 0.17 -0.59 1.01 -1.07 -0.46 121.20 123.87 1vbj s ILE 109 Ca 0.05 1.61 -0.14 0.00 0.00 0.00 0.00 60.65 62.16 1vbj s ILE 109 Cb -0.09 -4.33 0.06 0.00 0.01 0.00 0.00 42.46 38.11 1vbj s ILE 109 CO 0.03 -0.38 1.78 -0.74 0.00 0.00 0.00 174.94 175.62 1vbj h HIS 110 N 8.04 0.43 -3.93 3.97 2.76 -1.74 -1.49 115.15 123.19 1vbj h HIS 110 Ca -0.21 0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 57.80 1vbj h HIS 110 Cb 1.07 -0.13 -0.21 0.00 1.55 0.00 0.00 27.41 29.69 1vbj h HIS 110 CO 0.81 0.22 -0.69 -1.58 -1.30 0.00 0.00 177.93 175.39 1vbj s TRP 111 N -6.14 0.23 0.01 5.26 0.52 -1.26 -4.32 118.94 113.24 1vbj s TRP 111 Ca -0.13 -0.47 -0.25 0.00 0.02 0.00 0.00 56.10 55.27 1vbj s TRP 111 Cb 0.13 -0.17 -0.19 0.00 -1.15 0.00 0.00 33.47 32.09 1vbj s TRP 111 CO 0.73 -0.19 1.38 -1.35 0.02 0.00 0.00 176.95 177.55 1vbj h PRO 112 N 4.71 -0.04 0.00 4.98 0.11 -1.78 -3.47 132.00 136.51 1vbj h PRO 112 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1vbj h PRO 112 Cb 1.21 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1vbj h PRO 112 CO 0.42 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.92 1vbj n GLY 113 N -0.17 0.54 0.57 -0.55 0.00 -1.26 -4.39 105.19 99.93 1vbj n GLY 113 Ca -0.08 -0.84 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 1vbj n GLY 113 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1vbj n LYS 114 N 12.16 0.20 -1.52 1.61 0.00 -1.26 -4.99 118.16 124.35 1vbj n LYS 114 Ca 0.00 0.08 -0.02 0.00 0.00 0.00 0.00 58.31 58.37 1vbj n LYS 114 Cb 0.00 -0.79 -0.01 0.00 0.00 0.00 0.00 35.03 34.24 1vbj n LYS 114 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1vbj n ASP 115 N -3.63 -0.11 -0.03 3.14 5.68 -1.26 -4.92 116.55 115.43 1vbj n ASP 115 Ca -0.05 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 1vbj n ASP 115 Cb 0.19 0.06 0.01 0.00 -1.14 0.00 0.00 41.12 40.24 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 -0.04 1.55 0.08 0.11 5.02 -1.26 -4.73 118.16 118.88 1vbj n LYS 116 Ca -0.12 -1.16 -0.10 0.00 -2.02 0.00 0.00 58.31 54.91 1vbj n LYS 116 Cb 0.89 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.78 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 0.11 0.21 -0.78 2.13 -0.00 -1.91 -2.58 116.94 114.13 1vbj h PHE 117 Ca 0.00 -0.15 -0.04 0.00 -0.00 0.00 0.00 57.97 57.79 1vbj h PHE 117 Cb 0.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 35.95 36.24 1vbj h PHE 117 CO 0.01 1.09 0.34 0.82 -0.00 0.00 0.00 178.31 180.56 1vbj h ILE 118 N 0.04 1.25 -0.18 0.88 2.04 -1.92 0.19 117.51 119.81 1vbj h ILE 118 Ca -0.06 -0.75 -0.13 0.00 1.00 0.00 0.00 64.86 64.93 1vbj h ILE 118 Cb 1.79 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1vbj h ILE 118 CO 0.16 0.31 -0.39 -0.78 0.00 0.00 0.00 178.15 177.44 1vbj h ASP 119 N 1.11 0.65 -0.67 1.72 1.82 -1.88 -2.85 116.42 116.32 1vbj h ASP 119 Ca 0.26 -0.56 0.06 0.00 -0.39 0.00 0.00 57.03 56.40 1vbj h ASP 119 Cb 0.16 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 39.94 1vbj h ASP 119 CO -0.03 1.10 0.44 0.74 -1.61 0.00 0.00 179.24 179.88 1vbj h THR 120 N 0.24 1.03 -0.72 2.25 2.02 -1.05 -2.31 112.91 114.36 1vbj h THR 120 Ca 0.00 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 66.87 1vbj h THR 120 Cb 1.00 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1vbj h THR 120 CO 0.09 0.13 0.19 -0.25 0.37 0.00 0.00 175.52 176.05 1vbj h TRP 121 N 0.71 1.20 -0.98 3.16 2.91 -0.41 -2.54 115.95 120.01 1vbj h TRP 121 Ca 0.29 -0.14 0.14 0.00 1.13 0.00 0.00 58.89 60.31 1vbj h TRP 121 Cb 0.23 -0.34 -0.09 0.00 -0.51 0.00 0.00 29.16 28.44 1vbj h TRP 121 CO -0.00 0.97 0.60 0.87 -1.03 0.00 0.00 178.44 179.84 1vbj h LYS 122 N 1.09 0.85 -0.75 2.65 1.57 -1.28 0.26 116.57 120.95 1vbj h LYS 122 Ca 0.23 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.90 1vbj h LYS 122 Cb 0.36 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1vbj h LYS 122 CO -0.00 0.56 0.25 0.00 -0.57 0.00 0.00 179.45 179.69 1vbj h ALA 123 N 1.57 1.01 -0.33 3.86 0.00 -1.49 -1.25 119.26 122.63 1vbj h ALA 123 Ca 0.51 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1vbj h ALA 123 Cb 0.62 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1vbj h ALA 123 CO -0.31 0.67 0.17 0.74 0.00 0.00 0.00 179.25 180.51 1vbj h PHE 124 N 1.12 0.46 0.00 0.00 0.05 -0.30 -0.95 116.94 117.31 1vbj h PHE 124 Ca 0.24 -0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.98 1vbj h PHE 124 Cb 0.29 -0.14 -0.00 0.00 2.00 0.00 0.00 35.95 38.09 1vbj h PHE 124 CO 0.02 0.39 -0.15 0.93 -0.18 0.00 0.00 178.31 179.32 1vbj h GLU 125 N 0.40 0.00 -0.03 1.51 5.08 -0.61 -0.18 114.58 120.75 1vbj h GLU 125 Ca 0.11 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 1vbj h GLU 125 Cb 0.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1vbj h GLU 125 CO -0.02 0.15 -0.03 -0.22 -1.00 0.00 0.00 179.01 177.89 1vbj h LYS 126 N 0.00 0.07 -0.23 2.33 1.63 -0.67 -0.94 116.57 118.76 1vbj h LYS 126 Ca -0.00 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1vbj h LYS 126 Cb 0.28 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1vbj h LYS 126 CO 0.02 0.56 0.04 -0.07 -3.45 0.00 0.00 179.45 176.56 1vbj h LEU 127 N -0.42 0.29 -0.10 5.20 3.38 -0.76 -1.71 115.31 121.19 1vbj h LEU 127 Ca 0.00 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1vbj h LEU 127 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1vbj h LEU 127 CO 0.01 0.32 -0.18 0.22 0.09 0.00 0.00 178.44 178.89 1vbj h TYR 128 N 0.32 0.37 -0.99 1.13 3.20 -0.95 0.13 116.97 120.18 1vbj h TYR 128 Ca 0.08 -0.13 0.03 0.00 3.14 0.00 0.00 58.73 61.85 1vbj h TYR 128 Cb 0.15 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.29 1vbj h TYR 128 CO 0.00 0.78 0.65 0.00 -1.64 0.00 0.00 178.16 177.96 1vbj h ALA 129 N 0.52 1.30 0.00 1.82 0.00 -0.83 -1.28 119.26 120.79 1vbj h ALA 129 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vbj h ALA 129 Cb 0.76 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1vbj h ALA 129 CO 0.04 0.56 0.00 -0.25 0.00 0.00 0.00 179.25 179.60 1vbj n ASP 130 N -4.44 0.31 -0.05 0.00 8.00 -0.67 -4.92 116.55 114.77 1vbj n ASP 130 Ca 0.13 0.54 -0.01 0.00 0.71 0.00 0.00 54.79 56.16 1vbj n ASP 130 Cb 0.08 -0.62 -0.00 0.00 -0.02 0.00 0.00 41.12 40.56 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 -1.80 -0.04 0.19 -1.24 4.76 -0.48 -4.92 118.16 114.64 1vbj n LYS 131 Ca 0.06 0.30 0.09 0.00 -2.87 0.00 0.00 58.31 55.88 1vbj n LYS 131 Cb 0.33 -3.82 0.17 0.00 -1.84 0.00 0.00 35.03 29.87 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 0.00 0.00 -4.06 1.97 1.57 -1.00 -3.44 116.57 111.61 1vbj h LYS 132 Ca -0.01 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.46 1vbj h LYS 132 Cb 0.47 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.49 1vbj h LYS 132 CO 0.01 0.19 -0.75 0.14 -0.57 0.00 0.00 179.45 178.48 1vbj s VAL 133 N -3.18 0.28 -1.89 0.50 -7.23 -1.17 0.11 120.40 107.82 1vbj s VAL 133 Ca 0.05 -0.12 0.27 0.00 -1.81 0.00 0.00 61.98 60.38 1vbj s VAL 133 Cb 0.06 -0.26 0.36 0.00 0.56 0.00 0.00 36.38 37.10 1vbj s VAL 133 CO 0.69 0.10 1.65 0.54 -0.31 0.00 0.00 175.10 177.77 1vbj n ARG 134 N 3.21 0.98 -3.57 4.82 1.74 -0.39 -4.38 116.66 119.08 1vbj n ARG 134 Ca -0.15 -0.54 -0.13 0.00 -0.77 0.00 0.00 57.85 56.26 1vbj n ARG 134 Cb 0.57 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 1vbj n ARG 134 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vbj s ALA 135 N -2.39 -1.88 0.02 7.54 0.00 -0.60 -4.91 121.76 119.54 1vbj s ALA 135 Ca 0.28 1.54 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1vbj s ALA 135 Cb 0.20 -0.57 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1vbj s ALA 135 CO 0.47 -0.32 -0.13 0.96 0.00 0.00 0.00 175.76 176.74 1vbj s ILE 136 N -0.99 1.00 0.01 0.00 -4.36 -1.26 -2.67 121.20 112.94 1vbj s ILE 136 Ca -0.04 -0.77 -0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1vbj s ILE 136 Cb -0.01 -0.88 0.00 0.00 1.25 0.00 0.00 42.46 42.82 1vbj s ILE 136 CO 0.04 0.11 0.02 0.61 0.24 0.00 0.00 174.94 175.96 1vbj n GLY 137 N 2.30 3.12 3.37 6.27 0.00 -0.17 -1.19 105.19 118.89 1vbj n GLY 137 Ca -0.16 -1.39 -0.19 0.00 0.00 0.00 0.00 46.02 44.28 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 -2.44 1.21 -0.08 1.61 0.11 0.17 -2.60 120.40 118.39 1vbj s VAL 138 Ca 0.01 -2.05 -0.06 0.00 -2.93 0.00 0.00 61.98 56.95 1vbj s VAL 138 Cb -0.00 -2.42 0.03 0.00 -1.53 0.00 0.00 36.38 32.46 1vbj s VAL 138 CO 0.01 -0.29 0.20 -0.55 -3.33 0.00 0.00 175.10 171.14 1vbj s SER 139 N -3.36 -0.20 -1.46 3.54 0.15 -0.56 -1.39 113.70 110.41 1vbj s SER 139 Ca 0.29 0.41 -0.01 0.00 0.70 0.00 0.00 55.95 57.34 1vbj s SER 139 Cb 0.05 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 1vbj s SER 139 CO 0.10 -0.09 0.16 0.59 1.20 0.00 0.00 173.24 175.20 1vbj n ASN 140 N 3.31 -5.26 -4.76 5.45 5.03 -0.35 -4.02 115.26 114.67 1vbj n ASN 140 Ca -0.16 -0.09 -0.36 0.00 0.87 0.00 0.00 54.58 54.84 1vbj n ASN 140 Cb 0.57 -4.26 -0.07 0.00 -1.02 0.00 0.00 39.78 35.00 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 -2.94 3.49 0.75 3.10 2.99 -1.26 -4.44 117.98 119.67 1vbj s PHE 141 Ca 0.08 0.57 -0.06 0.00 0.00 0.00 0.00 56.93 57.52 1vbj s PHE 141 Cb -0.03 -2.26 0.10 0.00 0.00 0.00 0.00 43.02 40.83 1vbj s PHE 141 CO 0.10 0.34 1.05 -1.01 -0.00 0.00 0.00 175.22 175.70 1vbj s HIS 142 N 0.13 2.29 0.32 0.36 3.76 -1.26 -4.90 115.29 116.00 1vbj s HIS 142 Ca 0.15 0.19 0.01 0.00 -0.15 0.00 0.00 55.06 55.26 1vbj s HIS 142 Cb -0.13 -3.30 0.54 0.00 1.11 0.00 0.00 32.58 30.81 1vbj s HIS 142 CO 0.04 -1.70 1.96 1.05 -0.85 0.00 0.00 174.74 175.24 1vbj h GLU 143 N -0.74 0.97 0.00 1.40 9.09 -1.98 -1.91 114.58 121.40 1vbj h GLU 143 Ca -0.42 -0.06 -0.07 0.00 0.05 0.00 0.00 59.36 58.86 1vbj h GLU 143 Cb 1.29 -0.22 -0.01 0.00 -1.65 0.00 0.00 28.75 28.16 1vbj h GLU 143 CO 0.50 0.64 -0.33 1.12 0.05 0.00 0.00 179.01 180.99 1vbj h HIS 144 N 1.00 0.00 -0.46 2.06 2.07 -1.99 -1.43 115.15 116.40 1vbj h HIS 144 Ca 0.31 0.00 -0.13 0.00 -2.85 0.00 0.00 60.37 57.70 1vbj h HIS 144 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 1vbj h HIS 144 CO -0.00 0.33 -0.23 0.45 -3.07 0.00 0.00 177.93 175.41 1vbj h HIS 145 N 0.00 1.12 -0.25 6.12 3.86 -1.72 -2.20 115.15 122.08 1vbj h HIS 145 Ca -0.00 -0.28 -0.16 0.00 -1.16 0.00 0.00 60.37 58.77 1vbj h HIS 145 Cb 0.77 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1vbj h HIS 145 CO 0.00 1.10 -0.48 0.82 0.86 0.00 0.00 177.93 180.23 1vbj h ILE 146 N 0.81 1.30 -1.00 2.45 2.04 -1.24 -1.90 117.51 119.97 1vbj h ILE 146 Ca 0.10 -1.68 0.07 0.00 1.00 0.00 0.00 64.86 64.35 1vbj h ILE 146 Cb 0.81 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 38.56 1vbj h ILE 146 CO 0.07 0.54 0.65 -0.33 0.00 0.00 0.00 178.15 179.07 1vbj h GLU 147 N 0.50 1.13 -0.49 2.37 4.39 -1.24 0.29 114.58 121.53 1vbj h GLU 147 Ca 0.01 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1vbj h GLU 147 Cb 1.08 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.46 1vbj h GLU 147 CO 0.11 0.75 -0.13 1.49 -1.16 0.00 0.00 179.01 180.07 1vbj h GLU 148 N 1.16 0.96 -0.28 2.33 4.81 -1.23 -2.95 114.58 119.39 1vbj h GLU 148 Ca 0.44 -0.37 -0.16 0.00 -0.13 0.00 0.00 59.36 59.14 1vbj h GLU 148 Cb 0.19 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 1vbj h GLU 148 CO -0.18 1.04 -0.47 1.25 -0.73 0.00 0.00 179.01 179.92 1vbj h LEU 149 N 0.81 0.79 -1.68 1.64 5.85 -0.50 -3.02 115.31 119.20 1vbj h LEU 149 Ca 0.12 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1vbj h LEU 149 Cb 0.69 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1vbj h LEU 149 CO 0.05 1.13 0.00 -0.07 -0.34 0.00 0.00 178.44 179.21 1vbj h LEU 150 N 0.58 0.00 0.00 2.25 3.38 -0.34 -0.13 115.31 121.05 1vbj h LEU 150 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1vbj h LEU 150 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1vbj h LEU 150 CO 0.10 0.00 -0.75 0.11 0.09 0.00 0.00 178.44 177.99 1vbj h LYS 151 N 0.00 0.00 -2.10 1.13 1.57 -1.39 -3.39 116.57 112.39 1vbj h LYS 151 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 1vbj h LYS 151 Cb 0.18 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.09 1vbj h LYS 151 CO 0.00 0.00 -1.00 0.72 -0.57 0.00 0.00 179.45 178.60 1vbj n HIS 152 N -2.09 1.53 -3.42 -1.35 8.25 -0.07 -5.09 115.22 112.98 1vbj n HIS 152 Ca 0.03 -3.88 -0.12 0.00 -0.26 0.00 0.00 57.72 53.49 1vbj n HIS 152 Cb 0.44 -0.44 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -0.36 0.68 -4.35 0.00 4.76 -1.26 -4.89 118.16 112.73 1vbj n LYS 154 Ca -0.17 0.11 -0.30 0.00 -2.87 0.00 0.00 58.31 55.08 1vbj n LYS 154 Cb 0.65 -1.58 -0.17 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.52 1.61 0.32 -0.18 1.01 -1.26 -5.13 120.40 114.25 1vbj s VAL 155 Ca -0.17 -0.69 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 1vbj s VAL 155 Cb 0.07 -1.47 -0.09 0.00 0.00 0.00 0.00 36.38 34.89 1vbj s VAL 155 CO 0.76 0.46 1.13 0.00 0.00 0.00 0.00 175.10 177.46 1vbj s ALA 156 N 1.11 3.35 0.74 5.51 0.00 -1.26 -4.98 121.76 126.23 1vbj s ALA 156 Ca -0.03 0.94 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 1vbj s ALA 156 Cb -0.14 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.61 1vbj s ALA 156 CO -0.04 -0.28 0.70 -0.35 0.00 0.00 0.00 175.76 175.78 1vbj n PRO 157 N 0.84 0.33 -0.00 0.00 -0.04 -1.26 -4.93 135.00 129.94 1vbj n PRO 157 Ca 0.00 0.16 0.05 0.00 -0.04 0.00 0.00 63.50 63.67 1vbj n PRO 157 Cb 0.45 -1.99 -0.06 0.00 -0.04 0.00 0.00 33.50 31.86 1vbj n PRO 157 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1vbj n MET 158 N -1.28 2.74 -3.83 0.54 2.81 -0.33 -4.73 117.12 113.04 1vbj n MET 158 Ca 0.11 -0.03 -0.12 0.00 -1.81 0.00 0.00 57.70 55.86 1vbj n MET 158 Cb 0.50 -1.06 -0.10 0.00 -0.71 0.00 0.00 33.22 31.85 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 -2.17 0.06 -0.22 2.03 1.01 -1.26 -1.28 120.40 118.57 1vbj s VAL 159 Ca 0.02 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 61.50 1vbj s VAL 159 Cb 0.08 -0.44 0.07 0.00 0.00 0.00 0.00 36.38 36.08 1vbj s VAL 159 CO 0.43 -0.27 0.04 0.21 0.00 0.00 0.00 175.10 175.51 1vbj s ASN 160 N -1.02 3.27 -0.34 3.32 3.04 0.27 0.46 114.94 123.93 1vbj s ASN 160 Ca -0.11 -1.03 -0.18 0.00 0.04 0.00 0.00 52.86 51.58 1vbj s ASN 160 Cb -0.06 -0.72 -0.01 0.00 -1.54 0.00 0.00 41.25 38.92 1vbj s ASN 160 CO 0.02 -0.32 0.50 -1.58 -3.04 0.00 0.00 177.10 172.68 1vbj s GLN 161 N 1.75 3.64 0.14 0.43 0.74 -0.49 -2.44 119.66 123.44 1vbj s GLN 161 Ca 0.00 -0.15 0.04 0.00 0.05 0.00 0.00 55.36 55.30 1vbj s GLN 161 Cb -0.17 -3.80 -0.04 0.00 1.10 0.00 0.00 33.01 30.09 1vbj s GLN 161 CO -0.11 -0.62 -0.09 0.96 -0.55 0.00 0.00 175.29 174.88 1vbj s ILE 162 N 2.36 1.05 0.10 -2.34 -4.36 -0.47 -1.21 121.20 116.34 1vbj s ILE 162 Ca 0.18 -2.03 -0.31 0.00 -0.26 0.00 0.00 60.65 58.23 1vbj s ILE 162 Cb -0.16 -1.83 -0.09 0.00 1.25 0.00 0.00 42.46 41.64 1vbj s ILE 162 CO 0.13 -0.76 1.60 -0.70 0.24 0.00 0.00 174.94 175.45 1vbj s GLU 163 N -3.77 4.21 -0.23 0.37 2.12 -1.26 -0.68 118.70 119.46 1vbj s GLU 163 Ca 0.16 2.32 -0.10 0.00 0.36 0.00 0.00 54.97 57.71 1vbj s GLU 163 Cb 0.03 -3.42 0.09 0.00 0.26 0.00 0.00 34.13 31.10 1vbj s GLU 163 CO -0.00 -0.67 0.53 -1.17 -0.54 0.00 0.00 175.26 173.41 1vbj s LEU 164 N 2.00 -0.71 0.30 2.70 0.20 -0.89 -4.83 118.68 117.45 1vbj s LEU 164 Ca 0.72 1.22 -0.19 0.00 0.69 0.00 0.00 54.13 56.57 1vbj s LEU 164 Cb -0.41 1.80 0.06 0.00 -0.43 0.00 0.00 46.19 47.21 1vbj s LEU 164 CO 0.32 -0.22 0.88 -1.38 -0.29 0.00 0.00 176.35 175.65 1vbj s HIS 165 N 2.21 0.07 0.56 5.38 -3.43 -1.03 -3.94 115.29 115.10 1vbj s HIS 165 Ca -0.06 -0.62 0.31 0.00 -0.80 0.00 0.00 55.06 53.89 1vbj s HIS 165 Cb -0.10 0.77 1.46 0.00 -1.43 0.00 0.00 32.58 33.29 1vbj s HIS 165 CO -0.16 -1.29 1.86 -1.35 -2.00 0.00 0.00 174.74 171.81 1vbj h PRO 166 N 2.00 0.00 -0.00 -0.38 0.11 -1.90 0.31 132.00 132.14 1vbj h PRO 166 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1vbj h PRO 166 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1vbj h PRO 166 CO 0.37 0.00 -0.33 1.28 -0.21 0.00 0.00 178.00 179.11 1vbj n LEU 167 N -4.03 0.79 -3.01 2.35 4.77 -1.26 -2.14 117.00 114.48 1vbj n LEU 167 Ca 0.16 -0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.83 1vbj n LEU 167 Cb 0.91 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.80 1vbj n LEU 167 CO 0.34 0.16 -0.07 -0.11 -1.33 0.00 0.00 177.39 176.38 1vbj n LEU 168 N -0.98 -1.46 0.00 2.23 -0.00 0.04 -0.72 117.00 116.10 1vbj n LEU 168 Ca 0.10 -3.94 0.06 0.00 -0.00 0.00 0.00 56.01 52.23 1vbj n LEU 168 Cb 0.34 0.71 0.27 0.00 -0.00 0.00 0.00 43.42 44.75 1vbj n LEU 168 CO 0.29 2.00 0.68 -0.46 -0.00 0.00 0.00 177.39 179.90 1vbj n ASN 169 N 1.86 0.00 -2.03 1.96 0.23 -0.82 -2.47 115.26 113.99 1vbj n ASN 169 Ca 0.17 0.39 -0.09 0.00 -0.53 0.00 0.00 54.58 54.52 1vbj n ASN 169 Cb 0.56 -0.44 -0.02 0.00 -2.08 0.00 0.00 39.78 37.81 1vbj n ASN 169 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1vbj n GLN 170 N -1.44 -1.99 -0.32 -3.83 1.13 -1.26 -4.83 117.38 104.84 1vbj n GLN 170 Ca 0.04 0.47 0.18 0.00 -1.94 0.00 0.00 57.00 55.75 1vbj n GLN 170 Cb 0.13 -4.90 0.44 0.00 0.11 0.00 0.00 30.24 26.01 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 0.52 -0.13 -1.09 1.57 -1.99 -0.37 116.57 115.09 1vbj h LYS 171 Ca -0.20 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1vbj h LYS 171 Cb 0.96 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 1vbj h LYS 171 CO 0.26 0.34 -0.09 0.00 -0.57 0.00 0.00 179.45 179.39 1vbj h ALA 172 N 1.64 0.18 -0.26 3.86 0.00 -1.99 -1.67 119.26 121.02 1vbj h ALA 172 Ca 0.58 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1vbj h ALA 172 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1vbj h ALA 172 CO -0.33 0.01 -0.22 1.25 0.00 0.00 0.00 179.25 179.96 1vbj h LEU 173 N -0.09 0.47 -0.83 0.00 5.85 -1.79 -1.02 115.31 117.91 1vbj h LEU 173 Ca 0.02 -0.15 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 1vbj h LEU 173 Cb 0.59 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1vbj h LEU 173 CO 0.02 0.70 0.16 0.00 -0.34 0.00 0.00 178.44 178.98 1vbj h GLU 175 N 0.99 0.62 0.23 0.00 4.57 -0.83 -1.23 114.58 118.92 1vbj h GLU 175 Ca 0.21 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1vbj h GLU 175 Cb 0.35 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1vbj h GLU 175 CO 0.00 0.78 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.52 1vbj h TYR 176 N 0.41 -0.43 -0.82 0.92 3.20 -0.89 -1.65 116.97 117.71 1vbj h TYR 176 Ca 0.09 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.04 1vbj h TYR 176 Cb 0.54 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.90 1vbj h TYR 176 CO 0.05 -0.26 0.48 0.00 -1.64 0.00 0.00 178.16 176.79 1vbj h LYS 178 N 0.83 0.64 -0.18 0.00 3.64 -0.91 0.25 116.57 120.84 1vbj h LYS 178 Ca 0.38 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 1vbj h LYS 178 Cb 0.30 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1vbj h LYS 178 CO -0.22 0.52 -0.03 0.77 -2.27 0.00 0.00 179.45 178.21 1vbj h SER 179 N 0.64 0.24 -0.65 4.20 0.02 -0.17 -2.16 113.55 115.68 1vbj h SER 179 Ca 0.16 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1vbj h SER 179 Cb 0.11 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1vbj h SER 179 CO -0.02 0.32 0.00 0.29 -1.14 0.00 0.00 176.83 176.28 1vbj n LYS 180 N -4.35 2.60 -3.44 3.45 4.01 -0.78 -4.96 118.16 114.70 1vbj n LYS 180 Ca -0.00 -2.48 -0.23 0.00 -0.51 0.00 0.00 58.31 55.09 1vbj n LYS 180 Cb 0.20 -1.54 0.07 0.00 -0.51 0.00 0.00 35.03 33.25 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 1.54 -6.19 -4.36 4.39 3.02 -0.65 -4.99 115.26 108.02 1vbj n ASN 181 Ca 0.23 -0.47 -0.36 0.00 -0.03 0.00 0.00 54.58 53.96 1vbj n ASN 181 Cb 0.59 -4.85 -0.13 0.00 -0.61 0.00 0.00 39.78 34.78 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 -3.28 3.73 0.39 2.41 1.01 0.80 -4.38 121.20 121.88 1vbj s ILE 182 Ca 0.51 -0.39 -0.25 0.00 0.00 0.00 0.00 60.65 60.52 1vbj s ILE 182 Cb -0.22 -2.72 -0.09 0.00 0.01 0.00 0.00 42.46 39.44 1vbj s ILE 182 CO 0.63 0.38 1.11 0.00 0.00 0.00 0.00 174.94 177.06 1vbj s ALA 183 N 1.53 3.13 -0.12 9.38 0.00 -0.40 -3.88 121.76 131.39 1vbj s ALA 183 Ca 0.06 0.84 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1vbj s ALA 183 Cb -0.15 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1vbj s ALA 183 CO -0.01 -0.37 -0.03 0.08 0.00 0.00 0.00 175.76 175.43 1vbj s VAL 184 N -1.51 3.96 -0.10 0.00 1.01 -1.26 -0.56 120.40 121.94 1vbj s VAL 184 Ca 0.57 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1vbj s VAL 184 Cb -0.27 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1vbj s VAL 184 CO 0.34 0.54 -0.21 -0.89 0.00 0.00 0.00 175.10 174.88 1vbj s THR 185 N -0.18 2.36 -0.23 3.92 2.01 -1.02 -0.57 115.64 121.92 1vbj s THR 185 Ca 0.04 -0.93 -0.15 0.00 0.31 0.00 0.00 61.69 60.96 1vbj s THR 185 Cb -0.13 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1vbj s THR 185 CO 0.02 0.56 0.37 0.00 -0.69 0.00 0.00 174.62 174.88 1vbj s ALA 186 N 0.17 3.57 0.21 7.40 0.00 0.14 -1.36 121.76 131.88 1vbj s ALA 186 Ca -0.12 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.20 1vbj s ALA 186 Cb -0.16 -2.64 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1vbj s ALA 186 CO 0.07 -0.45 0.33 1.67 0.00 0.00 0.00 175.76 177.38 1vbj s TRP 187 N 1.62 3.46 -1.51 0.00 1.48 0.15 -3.46 118.94 120.68 1vbj s TRP 187 Ca 0.16 0.03 -0.09 0.00 -1.06 0.00 0.00 56.10 55.14 1vbj s TRP 187 Cb -0.15 -1.60 0.07 0.00 -1.16 0.00 0.00 33.47 30.62 1vbj s TRP 187 CO 0.08 0.47 0.70 0.43 -4.06 0.00 0.00 176.95 174.57 1vbj n SER 188 N -1.10 -2.38 0.22 -2.66 7.64 -1.26 -2.10 113.62 111.98 1vbj n SER 188 Ca -0.08 -0.93 0.15 0.00 1.01 0.00 0.00 58.87 59.02 1vbj n SER 188 Cb 0.56 -3.30 0.76 0.00 -1.01 0.00 0.00 64.21 61.22 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 -1.81 0.00 -0.35 1.43 0.13 -1.73 -0.60 132.00 129.07 1vbj h PRO 189 Ca -0.60 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.44 1vbj h PRO 189 Cb 1.38 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.45 1vbj h PRO 189 CO 0.67 0.00 0.02 1.28 -0.23 0.00 0.00 178.00 179.75 1vbj n LEU 190 N -2.56 4.24 -2.81 1.56 4.77 -1.26 -4.71 117.00 116.23 1vbj n LEU 190 Ca -0.01 -3.28 -0.22 0.00 -0.03 0.00 0.00 56.01 52.47 1vbj n LEU 190 Cb 0.10 -0.60 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 1vbj n LEU 190 CO 0.16 0.87 -0.09 0.61 -1.33 0.00 0.00 177.39 177.61 1vbj n GLY 191 N -0.68 -0.52 2.50 -0.72 0.00 -0.23 -1.24 105.19 104.30 1vbj n GLY 191 Ca 0.28 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.68 -2.18 -0.14 1.61 6.02 -1.25 -1.56 117.38 116.19 1vbj n GLN 192 Ca -0.16 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1vbj n GLN 192 Cb 0.64 -5.56 0.00 0.00 1.02 0.00 0.00 30.24 26.34 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 -1.02 1.40 0.26 1.08 0.00 -0.37 -4.91 105.19 101.63 1vbj n GLY 193 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 0.08 -0.16 1.61 8.25 -0.60 -3.56 115.22 118.84 1vbj n HIS 194 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 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 -0.28 0.90 0.11 2.41 4.77 -1.22 -4.75 117.00 118.95 1vbj n LEU 195 Ca 0.16 -0.90 0.10 0.00 -0.03 0.00 0.00 56.01 55.35 1vbj n LEU 195 Cb 0.20 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.75 1vbj n LEU 195 CO 0.13 0.22 0.80 1.33 -1.33 0.00 0.00 177.39 178.55 1vbj n VAL 196 N -0.03 1.02 -0.81 4.08 0.24 -1.23 -2.38 118.33 119.21 1vbj n VAL 196 Ca 0.00 0.41 0.07 0.00 -2.04 0.00 0.00 64.34 62.79 1vbj n VAL 196 Cb 0.06 -1.35 0.10 0.00 -1.47 0.00 0.00 33.84 31.18 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 -2.10 1.70 -1.84 7.34 -0.58 -1.26 -4.46 120.64 119.45 1vbj n GLU 197 Ca 0.01 -2.30 -0.42 0.00 -0.42 0.00 0.00 57.16 54.02 1vbj n GLU 197 Cb 0.14 -1.37 -0.03 0.00 -0.57 0.00 0.00 31.44 29.61 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 -2.40 6.53 0.33 1.62 2.15 -1.00 -4.89 116.67 119.01 1vbj s ASP 198 Ca 0.24 2.59 0.03 0.00 0.43 0.00 0.00 52.55 55.84 1vbj s ASP 198 Cb 0.21 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.90 1vbj s ASP 198 CO 0.02 -0.94 1.95 0.00 -0.17 0.00 0.00 175.17 176.03 1vbj h ALA 199 N 8.49 1.60 -0.34 3.66 0.00 -1.96 0.16 119.26 130.86 1vbj h ALA 199 Ca -0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1vbj h ALA 199 Cb 1.21 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1vbj h ALA 199 CO 0.94 0.30 0.10 0.00 0.00 0.00 0.00 179.25 180.58 1vbj h ARG 200 N 0.89 0.53 -0.26 0.00 3.08 -1.99 -0.85 114.38 115.78 1vbj h ARG 200 Ca 0.33 -0.12 -0.11 0.00 0.07 0.00 0.00 59.98 60.15 1vbj h ARG 200 Cb 0.17 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1vbj h ARG 200 CO -0.11 0.57 -0.28 -0.07 -1.07 0.00 0.00 179.97 179.01 1vbj h LEU 201 N 0.39 0.70 -0.49 3.04 3.38 -1.76 -2.71 115.31 117.86 1vbj h LEU 201 Ca 0.11 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1vbj h LEU 201 Cb 0.26 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1vbj h LEU 201 CO -0.00 1.03 0.31 0.11 0.09 0.00 0.00 178.44 179.99 1vbj h LYS 202 N 0.38 0.66 -0.20 1.13 1.57 -0.67 -0.08 116.57 119.35 1vbj h LYS 202 Ca 0.04 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1vbj h LYS 202 Cb 0.84 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.97 1vbj h LYS 202 CO 0.07 0.45 -0.06 0.00 -0.57 0.00 0.00 179.45 179.34 1vbj h ALA 203 N 1.16 0.11 -0.31 3.86 0.00 -1.13 0.20 119.26 123.16 1vbj h ALA 203 Ca 0.18 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1vbj h ALA 203 Cb -0.05 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1vbj h ALA 203 CO -0.04 -0.49 0.12 0.82 0.00 0.00 0.00 179.25 179.66 1vbj h ILE 204 N -0.02 0.93 -0.67 0.00 2.04 -1.16 -1.99 117.51 116.64 1vbj h ILE 204 Ca 0.10 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1vbj h ILE 204 Cb 0.17 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1vbj h ILE 204 CO -0.21 0.05 0.44 1.23 0.00 0.00 0.00 178.15 179.65 1vbj h GLY 205 N 0.26 0.89 1.49 5.37 0.00 -0.21 -1.95 103.07 108.92 1vbj h GLY 205 Ca 0.14 -0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.24 1vbj h GLY 205 CO -0.14 0.25 0.19 -1.33 0.00 0.00 0.00 176.54 175.51 1vbj h GLY 206 N 0.75 0.00 2.00 4.60 0.00 0.16 -0.18 103.07 110.40 1vbj h GLY 206 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1vbj h GLY 206 CO -0.08 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.74 1vbj n LYS 207 N -4.33 0.09 0.00 4.80 5.02 -0.73 -3.08 118.16 119.93 1vbj n LYS 207 Ca 0.03 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1vbj n LYS 207 Cb 0.34 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1vbj n LYS 207 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1vbj n TYR 208 N -1.85 0.00 -1.72 2.13 4.01 -0.25 -4.98 117.16 114.50 1vbj n TYR 208 Ca 0.03 -0.07 -0.09 0.00 -0.16 0.00 0.00 57.90 57.61 1vbj n TYR 208 Cb 0.19 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.07 0.51 3.62 2.72 0.00 -0.65 -5.01 105.19 106.31 1vbj n GLY 209 Ca 0.00 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.61 2.25 0.59 1.61 -0.14 -0.24 -5.01 119.74 115.20 1vbj s LYS 210 Ca 0.00 -1.20 -0.05 0.00 -1.36 0.00 0.00 55.97 53.37 1vbj s LYS 210 Cb 0.00 -2.26 0.02 0.00 -1.68 0.00 0.00 37.83 33.91 1vbj s LYS 210 CO 0.00 0.44 0.88 0.95 -0.76 0.00 0.00 175.35 176.86 1vbj s THR 211 N -1.77 3.39 0.24 2.17 -4.23 -1.26 -3.62 115.64 110.55 1vbj s THR 211 Ca 0.27 -0.15 -0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1vbj s THR 211 Cb -0.09 -3.34 0.21 0.00 1.34 0.00 0.00 72.50 70.61 1vbj s THR 211 CO 0.17 -0.34 1.84 0.00 -0.54 0.00 0.00 174.62 175.75 1vbj h ALA 212 N -0.16 1.14 -0.48 3.99 0.00 -1.79 -0.37 119.26 121.59 1vbj h ALA 212 Ca -0.45 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.48 1vbj h ALA 212 Cb 1.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1vbj h ALA 212 CO 0.60 0.21 0.29 0.00 0.00 0.00 0.00 179.25 180.34 1vbj h ALA 213 N 1.41 0.61 -0.25 0.00 0.00 -1.87 -0.66 119.26 118.49 1vbj h ALA 213 Ca 0.37 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 1vbj h ALA 213 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vbj h ALA 213 CO -0.19 -0.02 -0.18 1.96 0.00 0.00 0.00 179.25 180.82 1vbj h GLN 214 N 0.57 0.45 -0.45 0.00 4.20 -1.63 -2.48 115.11 115.78 1vbj h GLN 214 Ca 0.19 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1vbj h GLN 214 Cb 0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1vbj h GLN 214 CO -0.08 0.62 0.08 0.28 -0.67 0.00 0.00 178.83 179.06 1vbj h VAL 215 N 0.41 1.24 0.03 -0.54 2.07 -0.35 -1.42 116.25 117.69 1vbj h VAL 215 Ca 0.07 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.72 1vbj h VAL 215 Cb 0.56 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1vbj h VAL 215 CO 0.04 0.31 -0.03 0.24 0.02 0.00 0.00 177.57 178.14 1vbj h MET 216 N 0.60 -0.06 -0.84 1.57 2.86 -0.86 -0.02 114.93 118.17 1vbj h MET 216 Ca 0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1vbj h MET 216 Cb 0.36 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1vbj h MET 216 CO 0.01 -0.04 0.54 -0.07 1.06 0.00 0.00 176.91 178.40 1vbj h LEU 217 N -0.07 0.89 -0.44 1.22 4.07 -1.38 -0.90 115.31 118.70 1vbj h LEU 217 Ca 0.00 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1vbj h LEU 217 Cb 0.06 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.59 1vbj h LEU 217 CO -0.00 0.61 -0.13 -0.09 -1.08 0.00 0.00 178.44 177.75 1vbj h ARG 218 N 1.04 0.86 -0.40 1.13 9.65 -1.02 -1.61 114.38 124.04 1vbj h ARG 218 Ca 0.34 -0.34 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1vbj h ARG 218 Cb 0.01 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.51 1vbj h ARG 218 CO -0.12 0.98 0.15 2.35 2.80 0.00 0.00 179.97 186.13 1vbj h TRP 219 N 0.69 0.26 0.03 2.20 7.01 -0.54 -0.69 115.95 124.91 1vbj h TRP 219 Ca 0.11 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1vbj h TRP 219 Cb 0.67 -0.06 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 1vbj h TRP 219 CO 0.05 0.11 -0.02 0.93 -2.79 0.00 0.00 178.44 176.72 1vbj h GLU 220 N 0.31 -0.04 -0.71 2.65 5.08 -1.00 -1.80 114.58 119.08 1vbj h GLU 220 Ca 0.18 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1vbj h GLU 220 Cb 0.16 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1vbj h GLU 220 CO -0.18 -0.01 0.43 0.82 -1.00 0.00 0.00 179.01 179.07 1vbj h ILE 221 N -0.06 1.06 0.00 3.13 1.08 -0.99 -1.10 117.51 120.63 1vbj h ILE 221 Ca -0.00 -0.28 -0.02 0.00 -0.39 0.00 0.00 64.86 64.17 1vbj h ILE 221 Cb 0.05 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 33.96 1vbj h ILE 221 CO 0.01 0.15 -0.08 1.56 -0.69 0.00 0.00 178.15 179.10 1vbj h GLN 222 N 0.83 0.00 0.00 2.37 4.20 -1.00 -1.90 115.11 119.60 1vbj h GLN 222 Ca 0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.00 1vbj h GLN 222 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1vbj h GLN 222 CO -0.13 0.08 0.00 0.00 -0.67 0.00 0.00 178.83 178.10 1vbj n ALA 223 N -2.14 2.40 -0.46 3.87 0.00 -0.44 -4.86 120.51 118.87 1vbj n ALA 223 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1vbj n ALA 223 Cb 0.34 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.90 0.75 3.83 0.00 0.00 -0.71 -5.08 105.19 104.88 1vbj n GLY 224 Ca 0.15 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 1vbj n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vbj s VAL 225 N -2.00 3.99 -0.05 1.61 1.01 -1.04 -4.71 120.40 119.21 1vbj s VAL 225 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 1vbj s VAL 225 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1vbj s VAL 225 CO 0.00 -0.27 0.23 -0.63 0.00 0.00 0.00 175.10 174.43 1vbj s ILE 226 N -2.22 5.35 -0.02 2.22 1.01 0.26 -4.04 121.20 123.76 1vbj s ILE 226 Ca 0.36 0.27 0.05 0.00 0.00 0.00 0.00 60.65 61.33 1vbj s ILE 226 Cb -0.07 -3.52 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 1vbj s ILE 226 CO 0.25 0.50 -0.17 0.28 0.00 0.00 0.00 174.94 175.81 1vbj s THR 227 N -1.16 1.34 -0.53 2.92 -1.32 0.12 0.24 115.64 117.26 1vbj s THR 227 Ca 0.22 -0.70 0.07 0.00 -1.21 0.00 0.00 61.69 60.06 1vbj s THR 227 Cb -0.13 -1.13 0.30 0.00 -1.51 0.00 0.00 72.50 70.03 1vbj s THR 227 CO 0.11 0.38 0.78 2.30 -2.21 0.00 0.00 174.62 175.98 1vbj n ILE 228 N 2.85 1.64 -2.07 5.08 -5.35 -1.22 0.06 119.36 120.36 1vbj n ILE 228 Ca -0.16 -5.04 -0.37 0.00 -0.27 0.00 0.00 62.75 56.91 1vbj n ILE 228 Cb 0.54 -1.48 0.01 0.00 -1.74 0.00 0.00 39.64 36.97 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 -2.61 3.42 0.23 6.28 0.04 -1.19 -3.02 135.00 138.14 1vbj s PRO 229 Ca 0.42 1.92 0.10 0.00 0.04 0.00 0.00 61.00 63.49 1vbj s PRO 229 Cb 0.24 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1vbj s PRO 229 CO -0.08 -0.87 -0.14 -1.59 0.04 0.00 0.00 177.00 174.35 1vbj s LYS 230 N -2.89 1.88 -0.25 4.56 0.00 -1.26 -1.26 119.74 120.52 1vbj s LYS 230 Ca 0.69 -1.49 -0.27 0.00 0.00 0.00 0.00 55.97 54.90 1vbj s LYS 230 Cb -0.32 -1.99 0.14 0.00 0.00 0.00 0.00 37.83 35.66 1vbj s LYS 230 CO 0.38 0.39 1.10 0.45 0.00 0.00 0.00 175.35 177.66 1vbj s SER 231 N -3.12 -0.35 -0.01 0.03 0.15 -1.26 -4.95 113.70 104.18 1vbj s SER 231 Ca 0.26 0.58 0.15 0.00 0.70 0.00 0.00 55.95 57.64 1vbj s SER 231 Cb -0.07 0.55 0.44 0.00 -1.71 0.00 0.00 66.02 65.23 1vbj s SER 231 CO 0.15 -0.18 1.37 0.61 1.20 0.00 0.00 173.24 176.38 1vbj n GLY 232 N 1.58 2.74 3.51 9.45 0.00 -1.26 -4.91 105.19 116.30 1vbj n GLY 232 Ca -0.11 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.03 5.18 0.20 1.61 2.47 -1.26 -4.92 114.94 117.18 1vbj s ASN 233 Ca 0.34 -0.11 -0.12 0.00 0.42 0.00 0.00 52.86 53.39 1vbj s ASN 233 Cb 0.18 -1.90 0.14 0.00 -1.45 0.00 0.00 41.25 38.23 1vbj s ASN 233 CO 0.21 0.07 1.84 -0.08 -3.72 0.00 0.00 177.10 175.43 1vbj h GLU 234 N 7.43 0.78 -0.44 0.43 4.81 -1.97 -2.29 114.58 123.33 1vbj h GLU 234 Ca -0.36 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 1vbj h GLU 234 Cb 1.18 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1vbj h GLU 234 CO 0.63 0.51 -0.20 0.00 -0.73 0.00 0.00 179.01 179.22 1vbj h ALA 235 N 1.26 0.82 0.00 2.92 0.00 -2.00 -2.90 119.26 119.37 1vbj h ALA 235 Ca 0.25 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1vbj h ALA 235 Cb -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1vbj h ALA 235 CO -0.09 0.65 -0.37 0.00 0.00 0.00 0.00 179.25 179.44 1vbj h ARG 236 N 0.75 0.00 -0.34 0.00 3.08 -1.95 -1.31 114.38 114.62 1vbj h ARG 236 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 1vbj h ARG 236 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 1vbj h ARG 236 CO 0.06 0.37 0.04 0.82 -1.07 0.00 0.00 179.97 180.19 1vbj h ILE 237 N 0.00 1.24 -0.46 2.04 1.08 -1.23 -0.50 117.51 119.68 1vbj h ILE 237 Ca -0.00 -0.87 -0.12 0.00 -0.39 0.00 0.00 64.86 63.48 1vbj h ILE 237 Cb 0.82 1.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.72 1vbj h ILE 237 CO 0.05 0.29 -0.18 0.11 -0.69 0.00 0.00 178.15 177.73 1vbj h LYS 238 N 0.39 0.91 -0.23 2.37 1.57 -1.32 -2.91 116.57 117.34 1vbj h LYS 238 Ca 0.10 -0.36 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1vbj h LYS 238 Cb 0.38 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1vbj h LYS 238 CO 0.01 1.01 0.15 1.49 -0.57 0.00 0.00 179.45 181.54 1vbj h GLU 239 N 0.79 0.31 0.00 3.15 4.81 -0.96 -2.09 114.58 120.60 1vbj h GLU 239 Ca 0.11 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1vbj h GLU 239 Cb 0.72 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 30.03 1vbj h GLU 239 CO 0.06 0.23 -0.02 -0.91 -0.73 0.00 0.00 179.01 177.64 1vbj h ASN 240 N 0.30 0.00 0.87 1.04 2.35 -0.98 -1.81 115.58 117.35 1vbj h ASN 240 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1vbj h ASN 240 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1vbj h ASN 240 CO -0.02 0.02 -0.38 0.61 -1.65 0.00 0.00 177.43 176.01 1vbj n GLY 241 N -1.10 -1.43 2.45 2.83 0.00 -0.80 -4.38 105.19 102.77 1vbj n GLY 241 Ca -0.03 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 1vbj n GLY 241 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vbj n ASN 242 N -1.84 8.16 -0.02 1.61 4.05 -0.68 -4.41 115.26 122.14 1vbj n ASN 242 Ca 0.05 -3.02 0.01 0.00 0.45 0.00 0.00 54.58 52.07 1vbj n ASN 242 Cb 0.39 -1.40 0.01 0.00 1.23 0.00 0.00 39.78 40.01 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 2.14 0.93 -1.52 -1.44 -5.35 -1.26 -4.63 119.36 108.23 1vbj n ILE 243 Ca 0.66 -0.97 -0.13 0.00 -0.27 0.00 0.00 62.75 62.03 1vbj n ILE 243 Cb 0.24 0.49 0.15 0.00 -1.74 0.00 0.00 39.64 38.79 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 -0.52 1.81 -0.08 4.28 3.01 -1.26 -4.43 117.46 120.27 1vbj n PHE 244 Ca 0.02 -1.92 -0.12 0.00 1.01 0.00 0.00 57.45 56.44 1vbj n PHE 244 Cb 0.34 -0.63 -0.08 0.00 -0.01 0.00 0.00 39.48 39.09 1vbj n PHE 244 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1vbj n ASP 245 N -1.04 2.57 -2.44 4.37 8.00 -1.26 -5.08 116.55 121.68 1vbj n ASP 245 Ca 0.41 -0.09 -0.09 0.00 0.71 0.00 0.00 54.79 55.74 1vbj n ASP 245 Cb 1.04 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 41.94 1vbj n ASP 245 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1vbj n PHE 246 N -2.96 0.16 -3.73 1.24 -0.00 -1.26 -5.17 117.46 105.74 1vbj n PHE 246 Ca -0.30 -0.81 -0.12 0.00 -0.00 0.00 0.00 57.45 56.23 1vbj n PHE 246 Cb 0.84 -0.04 -0.12 0.00 -0.00 0.00 0.00 39.48 40.16 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 -2.52 0.29 0.28 3.97 2.12 -1.26 -5.07 118.70 116.51 1vbj s GLU 247 Ca 0.04 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.66 1vbj s GLU 247 Cb 0.00 -0.03 -0.09 0.00 0.26 0.00 0.00 34.13 34.27 1vbj s GLU 247 CO 0.03 -0.13 1.02 -0.51 -0.54 0.00 0.00 175.26 175.13 1vbj s LEU 248 N 1.05 4.53 0.74 2.70 1.02 -1.26 -5.04 118.68 122.42 1vbj s LEU 248 Ca -0.07 2.09 -0.11 0.00 0.02 0.00 0.00 54.13 56.05 1vbj s LEU 248 Cb -0.08 -3.71 0.03 0.00 0.02 0.00 0.00 46.19 42.45 1vbj s LEU 248 CO -0.08 -0.06 1.10 0.42 0.02 0.00 0.00 176.35 177.75 1vbj s THR 249 N -1.26 3.28 0.49 5.49 -4.23 -1.26 -4.87 115.64 113.28 1vbj s THR 249 Ca 0.45 0.41 0.16 0.00 -1.18 0.00 0.00 61.69 61.53 1vbj s THR 249 Cb -0.28 -3.33 0.29 0.00 1.34 0.00 0.00 72.50 70.53 1vbj s THR 249 CO 0.35 -0.54 2.09 0.00 -0.54 0.00 0.00 174.62 175.98 1vbj h ALA 250 N -0.81 2.03 -0.04 3.99 0.00 -1.99 -1.97 119.26 120.47 1vbj h ALA 250 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1vbj h ALA 250 Cb 1.26 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1vbj h ALA 250 CO 0.63 -0.07 -0.04 0.93 0.00 0.00 0.00 179.25 180.70 1vbj h GLU 251 N 0.13 0.10 -0.79 0.00 5.08 -1.99 -2.38 114.58 114.74 1vbj h GLU 251 Ca 0.09 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1vbj h GLU 251 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1vbj h GLU 251 CO -0.01 0.54 0.48 -0.44 -1.00 0.00 0.00 179.01 178.58 1vbj h ASP 252 N -0.33 0.77 -0.61 1.42 3.45 -1.80 -0.37 116.42 118.94 1vbj h ASP 252 Ca 0.01 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.48 1vbj h ASP 252 Cb 0.52 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.11 1vbj h ASP 252 CO 0.01 0.51 0.38 0.40 -1.57 0.00 0.00 179.24 178.97 1vbj h ILE 253 N 0.90 1.17 -0.28 0.35 2.04 -1.38 0.66 117.51 120.96 1vbj h ILE 253 Ca 0.33 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1vbj h ILE 253 Cb 0.12 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 1vbj h ILE 253 CO -0.15 0.17 -0.21 -0.61 0.00 0.00 0.00 178.15 177.35 1vbj h GLN 254 N 0.82 0.52 -0.21 2.37 4.15 -0.84 0.55 115.11 122.47 1vbj h GLN 254 Ca 0.22 -0.18 -0.04 0.00 0.77 0.00 0.00 58.65 59.42 1vbj h GLN 254 Cb -0.06 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 1vbj h GLN 254 CO -0.04 0.70 -0.02 0.28 -1.93 0.00 0.00 178.83 177.82 1vbj h VAL 255 N 0.47 1.27 -0.56 2.39 2.07 -0.37 -1.19 116.25 120.33 1vbj h VAL 255 Ca 0.07 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.59 1vbj h VAL 255 Cb 0.62 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1vbj h VAL 255 CO 0.04 0.29 0.06 0.40 0.02 0.00 0.00 177.57 178.38 1vbj h ILE 256 N 0.14 1.26 0.00 4.57 2.04 -0.68 -1.74 117.51 123.09 1vbj h ILE 256 Ca 0.06 -1.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 1vbj h ILE 256 Cb 0.43 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1vbj h ILE 256 CO 0.01 0.37 -0.04 0.44 0.00 0.00 0.00 178.15 178.94 1vbj h ASP 257 N 0.83 0.00 0.76 1.72 3.32 -0.79 -1.09 116.42 121.17 1vbj h ASP 257 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1vbj h ASP 257 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1vbj h ASP 257 CO 0.02 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.18 1vbj n GLY 258 N -1.32 -1.24 0.11 2.75 0.00 -0.46 -3.19 105.19 101.85 1vbj n GLY 258 Ca -0.03 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.69 0.26 -1.53 1.61 2.81 -0.41 -4.93 117.12 113.25 1vbj n MET 259 Ca 0.04 0.23 -0.50 0.00 -1.81 0.00 0.00 57.70 55.67 1vbj n MET 259 Cb 0.25 -1.82 -0.04 0.00 -0.71 0.00 0.00 33.22 30.90 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 -2.27 0.51 0.00 7.83 5.15 -0.91 -4.56 115.26 121.01 1vbj n ASN 260 Ca 0.05 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.18 1vbj n ASN 260 Cb 0.42 -1.11 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 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 1.06 1.05 -2.60 5.20 0.00 -0.20 -4.98 120.51 120.03 1vbj n ALA 261 Ca 0.16 -0.50 -0.20 0.00 0.00 0.00 0.00 53.44 52.90 1vbj n ALA 261 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.07 -0.51 3.60 0.00 0.00 0.10 -4.94 105.19 103.37 1vbj n GLY 262 Ca 0.00 0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.00 3.24 -0.11 1.61 5.65 -0.49 -4.97 115.29 117.22 1vbj s HIS 263 Ca 0.09 0.38 -0.12 0.00 0.25 0.00 0.00 55.06 55.66 1vbj s HIS 263 Cb -0.04 -2.56 -0.05 0.00 -1.18 0.00 0.00 32.58 28.75 1vbj s HIS 263 CO 0.12 -0.23 0.27 1.03 -0.65 0.00 0.00 174.74 175.28 1vbj s ARG 264 N 2.05 3.93 0.04 2.88 0.52 -1.26 -4.35 118.95 122.75 1vbj s ARG 264 Ca 0.14 0.10 0.22 0.00 -0.52 0.00 0.00 55.73 55.67 1vbj s ARG 264 Cb -0.16 -3.30 -0.15 0.00 0.52 0.00 0.00 34.95 31.86 1vbj s ARG 264 CO 0.10 0.52 0.79 0.66 0.02 0.00 0.00 175.30 177.38 1vbj n TYR 265 N 2.65 0.27 -3.94 -0.53 4.01 -1.26 -4.95 117.16 113.41 1vbj n TYR 265 Ca -0.15 0.08 -0.23 0.00 -0.16 0.00 0.00 57.90 57.44 1vbj n TYR 265 Cb 0.53 -0.52 -0.01 0.00 -0.31 0.00 0.00 39.34 39.03 1vbj n TYR 265 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vbj n GLY 266 N 1.30 2.92 3.83 2.72 0.00 -1.26 -5.13 105.19 109.57 1vbj n GLY 266 Ca -0.01 -2.29 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.84 3.34 -0.32 1.61 0.04 -1.26 -5.01 135.00 129.55 1vbj s PRO 267 Ca 0.22 0.99 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 1vbj s PRO 267 Cb -0.02 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.48 1vbj s PRO 267 CO 0.14 -0.78 0.78 0.34 0.04 0.00 0.00 177.00 177.52 1vbj s ASP 268 N -3.46 6.63 0.51 6.66 3.68 -1.26 -4.94 116.67 124.49 1vbj s ASP 268 Ca 0.59 0.58 0.39 0.00 2.13 0.00 0.00 52.55 56.25 1vbj s ASP 268 Cb -0.13 -2.40 1.57 0.00 -1.45 0.00 0.00 42.92 40.50 1vbj s ASP 268 CO 0.46 -0.63 1.65 -0.65 0.13 0.00 0.00 175.17 176.12 1vbj h PRO 269 N 8.20 0.04 -0.03 4.34 0.11 -1.93 0.24 132.00 142.98 1vbj h PRO 269 Ca -0.25 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 1vbj h PRO 269 Cb 1.10 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1vbj h PRO 269 CO 0.89 0.03 -0.32 0.93 -0.21 0.00 0.00 178.00 179.31 1vbj h GLU 270 N 0.05 0.05 0.00 1.05 4.39 -1.92 -3.36 114.58 114.84 1vbj h GLU 270 Ca 0.80 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 60.40 1vbj h GLU 270 Cb 2.95 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 31.58 1vbj h GLU 270 CO -0.16 0.37 -1.41 1.33 -1.16 0.00 0.00 179.01 177.98 1vbj n VAL 271 N -4.14 0.33 -1.57 3.13 0.24 0.72 -4.99 118.33 112.05 1vbj n VAL 271 Ca -0.02 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.34 61.62 1vbj n VAL 271 Cb 0.38 -0.52 -0.04 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.11 1.73 -0.99 6.34 7.35 -0.51 -4.82 117.46 124.45 1vbj n PHE 272 Ca -0.08 -0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.70 1vbj n PHE 272 Cb 0.57 -2.68 0.13 0.00 0.35 0.00 0.00 39.48 37.86 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 8.79 1.48 -1.65 -4.13 2.81 -1.26 -4.63 117.12 118.53 1vbj n MET 273 Ca 0.34 -2.51 -0.45 0.00 -1.81 0.00 0.00 57.70 53.27 1vbj n MET 273 Cb 0.45 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.33 2.42 -0.32 7.83 5.03 -1.26 -1.93 115.26 125.70 1vbj n ASN 274 Ca 0.15 1.15 -0.04 0.00 0.87 0.00 0.00 54.58 56.71 1vbj n ASN 274 Cb 0.62 -1.38 -0.02 0.00 -1.02 0.00 0.00 39.78 37.98 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 2.04 -5.43 -0.57 6.41 8.00 -1.26 -4.77 116.55 120.97 1vbj n ASP 275 Ca 0.12 0.10 0.14 0.00 0.71 0.00 0.00 54.79 55.86 1vbj n ASP 275 Cb 0.30 -3.29 0.44 0.00 -0.02 0.00 0.00 41.12 38.55 1vbj n ASP 275 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30