#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjb h MET 1 N 0.00 0.73 -6.30 0.00 2.86 -1.99 -3.42 114.93 106.82 3hjb h MET 1 Ca 0.00 -0.29 -0.55 0.00 -2.06 0.00 0.00 59.70 56.81 3hjb h MET 1 Cb 0.00 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.62 3hjb h MET 1 CO 0.00 0.88 1.03 -1.17 1.06 0.00 0.00 176.91 178.72 3hjb s LEU 2 N -9.25 4.32 0.48 1.22 2.96 -1.26 -4.31 118.68 112.83 3hjb s LEU 2 Ca -0.13 2.24 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 3hjb s LEU 2 Cb 0.10 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.26 3hjb s LEU 2 CO 0.81 -0.89 0.67 -0.54 -1.32 0.00 0.00 176.35 175.08 3hjb s LYS 3 N 3.58 2.75 -0.48 1.98 -0.14 -1.26 -5.03 119.74 121.14 3hjb s LYS 3 Ca 0.72 -0.91 0.07 0.00 -1.36 0.00 0.00 55.97 54.49 3hjb s LYS 3 Cb -0.34 -2.61 0.38 0.00 -1.68 0.00 0.00 37.83 33.58 3hjb s LYS 3 CO 0.29 -0.45 0.98 0.09 -0.76 0.00 0.00 175.35 175.50 3hjb n ASN 4 N -2.09 3.80 -4.67 2.83 3.02 -1.26 -5.03 115.26 111.86 3hjb n ASN 4 Ca 0.06 -3.51 -0.42 0.00 -0.03 0.00 0.00 54.58 50.68 3hjb n ASN 4 Cb 0.59 -0.53 -0.04 0.00 -0.61 0.00 0.00 39.78 39.20 3hjb n ASN 4 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hjb s ILE 5 N -4.46 4.84 -0.06 2.41 1.01 -1.26 -4.86 121.20 118.82 3hjb s ILE 5 Ca 0.45 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.56 3hjb s ILE 5 Cb 0.35 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.57 3hjb s ILE 5 CO -0.13 -0.00 1.76 0.21 0.00 0.00 0.00 174.94 176.77 3hjb s ASN 6 N 1.15 6.52 0.33 3.58 3.84 -1.26 -4.58 114.94 124.52 3hjb s ASN 6 Ca 0.41 2.26 0.08 0.00 0.21 0.00 0.00 52.86 55.82 3hjb s ASN 6 Cb -0.17 -2.53 0.58 0.00 -0.55 0.00 0.00 41.25 38.58 3hjb s ASN 6 CO 0.13 -1.05 1.78 1.55 -2.79 0.00 0.00 177.10 176.72 3hjb h PRO 7 N 10.22 0.22 0.00 0.43 0.13 -1.90 -3.20 132.00 137.90 3hjb h PRO 7 Ca -0.41 -0.08 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3hjb h PRO 7 Cb 1.19 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3hjb h PRO 7 CO 0.96 0.52 -0.00 1.79 -0.23 0.00 0.00 178.00 181.03 3hjb h THR 8 N 0.20 0.01 -0.49 1.56 1.35 -1.92 -2.55 112.91 111.05 3hjb h THR 8 Ca 0.03 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3hjb h THR 8 Cb 0.66 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3hjb h THR 8 CO 0.05 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 3hjb n GLN 9 N -3.10 2.52 -2.33 4.72 1.13 -1.21 -4.63 117.38 114.48 3hjb n GLN 9 Ca 0.01 -2.32 -0.33 0.00 -1.94 0.00 0.00 57.00 52.42 3hjb n GLN 9 Cb 0.32 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.12 3hjb n GLN 9 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3hjb s THR 10 N -1.35 4.23 0.31 5.09 -4.23 -0.96 -4.96 115.64 113.77 3hjb s THR 10 Ca 0.42 1.12 0.01 0.00 -1.18 0.00 0.00 61.69 62.06 3hjb s THR 10 Cb 0.23 -3.58 0.18 0.00 1.34 0.00 0.00 72.50 70.68 3hjb s THR 10 CO 0.32 -0.56 1.89 1.56 -0.54 0.00 0.00 174.62 177.28 3hjb h GLN 11 N 0.90 0.75 -0.59 3.99 4.20 -1.92 -2.46 115.11 119.97 3hjb h GLN 11 Ca -0.47 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.08 3hjb h GLN 11 Cb 1.20 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.83 3hjb h GLN 11 CO 0.60 0.64 0.22 0.00 -0.67 0.00 0.00 178.83 179.62 3hjb h ALA 12 N 1.46 0.77 -0.54 3.87 0.00 -1.90 -0.12 119.26 122.79 3hjb h ALA 12 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3hjb h ALA 12 Cb 0.20 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3hjb h ALA 12 CO -0.01 0.40 0.11 2.35 0.00 0.00 0.00 179.25 182.10 3hjb h TRP 13 N 0.83 0.92 -0.70 0.00 2.91 -1.72 -0.39 115.95 117.80 3hjb h TRP 13 Ca 0.19 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 60.08 3hjb h TRP 13 Cb 0.23 -0.26 -0.03 0.00 -0.51 0.00 0.00 29.16 28.59 3hjb h TRP 13 CO 0.01 0.81 0.36 0.87 -1.03 0.00 0.00 178.44 179.47 3hjb h LYS 14 N 0.77 0.98 -0.55 2.65 1.57 -1.17 -0.59 116.57 120.23 3hjb h LYS 14 Ca 0.17 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 3hjb h LYS 14 Cb 0.37 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 3hjb h LYS 14 CO 0.01 0.74 -0.04 0.00 -0.57 0.00 0.00 179.45 179.59 3hjb h ALA 15 N 1.41 0.90 -0.61 3.86 0.00 -0.60 -1.56 119.26 122.66 3hjb h ALA 15 Ca 0.25 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3hjb h ALA 15 Cb 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3hjb h ALA 15 CO -0.04 0.65 0.24 -0.07 0.00 0.00 0.00 179.25 180.03 3hjb h LEU 16 N 0.88 0.84 -0.44 0.00 3.38 -0.49 0.44 115.31 119.93 3hjb h LEU 16 Ca 0.15 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hjb h LEU 16 Cb 0.57 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 3hjb h LEU 16 CO 0.03 0.79 0.28 0.74 0.09 0.00 0.00 178.44 180.37 3hjb h THR 17 N 0.84 1.08 -0.63 0.22 2.02 -0.89 0.50 112.91 116.06 3hjb h THR 17 Ca 0.20 -0.19 -0.09 0.00 0.77 0.00 0.00 66.41 67.10 3hjb h THR 17 Cb 0.21 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3hjb h THR 17 CO -0.02 0.10 0.04 0.00 0.37 0.00 0.00 175.52 176.02 3hjb h ALA 18 N 1.18 0.84 -0.69 6.16 0.00 -1.03 -2.90 119.26 122.81 3hjb h ALA 18 Ca 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3hjb h ALA 18 Cb -0.03 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3hjb h ALA 18 CO -0.05 0.65 0.27 1.25 0.00 0.00 0.00 179.25 181.37 3hjb h HIS 19 N 0.99 1.05 -0.20 0.00 6.17 -0.58 -2.80 115.15 119.78 3hjb h HIS 19 Ca 0.18 -0.08 0.06 0.00 0.71 0.00 0.00 60.37 61.24 3hjb h HIS 19 Cb 0.51 -0.31 -0.01 0.00 2.52 0.00 0.00 27.41 30.12 3hjb h HIS 19 CO 0.04 0.82 0.16 0.35 0.71 0.00 0.00 177.93 180.01 3hjb h PHE 20 N 0.98 0.00 -0.79 5.26 3.57 -0.70 0.12 116.94 125.38 3hjb h PHE 20 Ca 0.23 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.91 3hjb h PHE 20 Cb 0.22 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 38.84 3hjb h PHE 20 CO 0.02 0.00 0.25 0.93 -2.23 0.00 0.00 178.31 177.27 3hjb h GLU 21 N 0.00 0.31 0.02 1.11 4.39 -1.44 -0.40 114.58 118.57 3hjb h GLU 21 Ca 0.09 -0.02 -0.37 0.00 0.34 0.00 0.00 59.36 59.41 3hjb h GLU 21 Cb 0.41 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 3hjb h GLU 21 CO -0.00 0.20 -2.31 0.45 -1.16 0.00 0.00 179.01 176.19 3hjb n SER 22 N -5.12 1.21 0.25 1.42 2.88 -0.81 -4.51 113.62 108.94 3hjb n SER 22 Ca 0.17 0.01 0.12 0.00 -1.33 0.00 0.00 58.87 57.83 3hjb n SER 22 Cb 0.52 0.05 0.62 0.00 -0.75 0.00 0.00 64.21 64.65 3hjb n SER 22 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hjb h ALA 23 N 0.45 1.12 0.00 -1.46 0.00 -0.60 -3.16 119.26 115.62 3hjb h ALA 23 Ca -0.52 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hjb h ALA 23 Cb 2.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.81 3hjb h ALA 23 CO -0.01 0.19 0.23 -0.56 0.00 0.00 0.00 179.25 179.10 3hjb h GLN 24 N 0.00 0.00 -0.33 0.00 3.07 -1.30 -0.60 115.11 115.95 3hjb h GLN 24 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3hjb h GLN 24 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 3hjb h GLN 24 CO 0.02 0.00 0.00 -0.25 0.09 0.00 0.00 178.83 178.69 3hjb n ASP 25 N -2.70 2.98 -4.62 0.06 8.00 -1.19 -5.04 116.55 114.04 3hjb n ASP 25 Ca -0.02 -2.10 -0.45 0.00 0.71 0.00 0.00 54.79 52.93 3hjb n ASP 25 Cb 0.27 -0.25 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 3hjb n ASP 25 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hjb n MET 26 N 0.38 1.55 -4.17 -1.24 1.56 -0.24 -4.95 117.12 110.02 3hjb n MET 26 Ca 0.12 0.55 -0.34 0.00 -0.27 0.00 0.00 57.70 57.76 3hjb n MET 26 Cb 0.46 -2.04 -0.14 0.00 2.15 0.00 0.00 33.22 33.66 3hjb n MET 26 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3hjb s ASP 27 N -0.21 4.38 0.24 6.12 2.15 -1.26 -4.99 116.67 123.09 3hjb s ASP 27 Ca 0.64 -0.32 -0.07 0.00 0.43 0.00 0.00 52.55 53.23 3hjb s ASP 27 Cb -0.71 -1.73 0.23 0.00 -0.30 0.00 0.00 42.92 40.41 3hjb s ASP 27 CO 0.56 0.05 1.91 -0.07 -0.17 0.00 0.00 175.17 177.46 3hjb h LEU 28 N 7.57 1.08 -1.09 -1.34 3.38 -1.93 -0.29 115.31 122.68 3hjb h LEU 28 Ca -0.36 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.59 3hjb h LEU 28 Cb 1.18 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 3hjb h LEU 28 CO 0.60 0.78 0.61 0.50 0.09 0.00 0.00 178.44 181.03 3hjb h LYS 29 N 1.27 1.21 -0.28 1.13 3.64 -1.92 -1.46 116.57 120.15 3hjb h LYS 29 Ca 0.34 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.51 3hjb h LYS 29 Cb -0.14 -0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 31.41 3hjb h LYS 29 CO -0.07 0.80 -0.34 0.00 -2.27 0.00 0.00 179.45 177.56 3hjb h ALA 30 N 1.43 0.42 -0.92 5.00 0.00 -1.82 -1.91 119.26 121.45 3hjb h ALA 30 Ca 0.34 -0.43 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hjb h ALA 30 Cb -0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3hjb h ALA 30 CO -0.08 0.48 0.60 -0.07 0.00 0.00 0.00 179.25 180.18 3hjb h LEU 31 N 0.48 1.07 -0.35 0.00 3.38 -0.68 -0.75 115.31 118.46 3hjb h LEU 31 Ca 0.04 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 3hjb h LEU 31 Cb 0.93 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3hjb h LEU 31 CO 0.08 0.79 -0.73 -0.26 0.09 0.00 0.00 178.44 178.41 3hjb h PHE 32 N 1.26 0.69 0.00 1.13 0.04 -1.27 -3.13 116.94 115.65 3hjb h PHE 32 Ca 0.34 -0.30 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 3hjb h PHE 32 Cb -0.13 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3hjb h PHE 32 CO -0.00 1.07 -0.29 0.00 -0.60 0.00 0.00 178.31 178.49 3hjb h ALA 33 N 0.84 1.21 -0.00 2.45 0.00 -0.92 -3.07 119.26 119.78 3hjb h ALA 33 Ca -0.03 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 3hjb h ALA 33 Cb 1.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3hjb h ALA 33 CO 0.13 0.37 -0.76 -0.56 0.00 0.00 0.00 179.25 178.43 3hjb h GLN 34 N 0.00 0.04 -2.62 0.00 3.07 -1.10 -3.43 115.11 111.06 3hjb h GLN 34 Ca -0.00 -0.03 -0.34 0.00 0.09 0.00 0.00 58.65 58.36 3hjb h GLN 34 Cb 0.65 0.01 -0.37 0.00 0.08 0.00 0.00 27.48 27.85 3hjb h GLN 34 CO 0.04 0.78 -0.65 0.34 0.09 0.00 0.00 178.83 179.43 3hjb s ASP 35 N -6.82 1.51 0.35 0.06 -1.08 -1.16 -5.00 116.67 104.53 3hjb s ASP 35 Ca -0.01 -0.26 0.26 0.00 -0.52 0.00 0.00 52.55 52.02 3hjb s ASP 35 Cb 0.12 0.28 1.21 0.00 -1.46 0.00 0.00 42.92 43.07 3hjb s ASP 35 CO 0.79 -0.33 1.80 0.77 0.52 0.00 0.00 175.17 178.72 3hjb h SER 36 N 8.33 0.00 -0.53 -0.34 4.64 -1.85 -2.12 113.55 121.69 3hjb h SER 36 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3hjb h SER 36 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3hjb h SER 36 CO 0.28 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.62 3hjb n GLU 37 N -2.45 3.23 -0.04 4.77 -0.58 -1.26 -4.59 120.64 119.71 3hjb n GLU 37 Ca 0.01 -2.31 -0.08 0.00 -0.42 0.00 0.00 57.16 54.35 3hjb n GLU 37 Cb 0.18 -1.78 -0.02 0.00 -0.57 0.00 0.00 31.44 29.25 3hjb n GLU 37 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3hjb h ARG 38 N 3.31 -0.02 -0.45 3.49 2.43 -1.73 -0.76 114.38 120.65 3hjb h ARG 38 Ca 0.00 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.24 3hjb h ARG 38 Cb 1.23 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 3hjb h ARG 38 CO 0.19 -0.02 0.10 0.35 -1.51 0.00 0.00 179.97 179.09 3hjb h PHE 39 N -0.02 0.17 -0.53 2.20 3.57 -1.86 -0.86 116.94 119.61 3hjb h PHE 39 Ca 0.11 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hjb h PHE 39 Cb 0.19 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3hjb h PHE 39 CO -0.24 0.02 0.29 0.00 -2.23 0.00 0.00 178.31 176.15 3hjb h ALA 40 N 1.34 1.51 0.00 2.41 0.00 -1.72 -2.77 119.26 120.03 3hjb h ALA 40 Ca 0.22 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3hjb h ALA 40 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hjb h ALA 40 CO -0.28 0.41 -0.44 0.87 0.00 0.00 0.00 179.25 179.81 3hjb h LYS 41 N 0.73 0.00 -1.18 0.00 1.57 -0.61 -3.36 116.57 113.73 3hjb h LYS 41 Ca 0.19 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.41 3hjb h LYS 41 Cb 0.02 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.91 3hjb h LYS 41 CO -0.03 0.27 -0.79 0.66 -0.57 0.00 0.00 179.45 178.99 3hjb n TYR 42 N -3.12 3.02 -3.81 -1.35 4.02 -0.38 -5.02 117.16 110.53 3hjb n TYR 42 Ca 0.02 -2.75 -0.10 0.00 -0.01 0.00 0.00 57.90 55.06 3hjb n TYR 42 Cb 0.66 -0.19 -0.07 0.00 -0.02 0.00 0.00 39.34 39.71 3hjb n TYR 42 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hjb s SER 43 N -3.55 0.02 -0.05 7.72 1.04 -1.11 -0.95 113.70 116.82 3hjb s SER 43 Ca 0.48 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.39 3hjb s SER 43 Cb 0.40 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.88 3hjb s SER 43 CO -0.09 -0.69 0.14 0.00 0.98 0.00 0.00 173.24 173.58 3hjb s ALA 44 N -3.33 -0.34 -0.17 5.32 0.00 0.08 -4.98 121.76 118.35 3hjb s ALA 44 Ca 0.01 0.33 -0.08 0.00 0.00 0.00 0.00 51.96 52.22 3hjb s ALA 44 Cb 0.02 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3hjb s ALA 44 CO -0.08 -0.08 0.09 1.03 0.00 0.00 0.00 175.76 176.72 3hjb s ARG 45 N -0.07 3.85 -0.27 0.00 1.81 -1.26 -0.52 118.95 122.49 3hjb s ARG 45 Ca -0.01 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 53.70 3hjb s ARG 45 Cb -0.02 -3.24 0.03 0.00 -0.45 0.00 0.00 34.95 31.27 3hjb s ARG 45 CO 0.00 0.42 -0.02 0.12 -0.68 0.00 0.00 175.30 175.15 3hjb s PHE 46 N -0.03 3.11 0.00 -0.53 5.36 -0.07 -5.01 117.98 120.81 3hjb s PHE 46 Ca 0.08 -1.46 0.00 0.00 -0.96 0.00 0.00 56.93 54.59 3hjb s PHE 46 Cb -0.12 -2.11 0.00 0.00 -0.34 0.00 0.00 43.02 40.45 3hjb s PHE 46 CO 0.00 -0.70 0.00 0.41 -1.46 0.00 0.00 175.22 173.47 3hjb n GLY 47 N 4.71 1.03 0.44 13.12 0.00 -1.26 -2.64 105.19 120.58 3hjb n GLY 47 Ca -0.16 -0.60 0.11 0.00 0.00 0.00 0.00 46.02 45.37 3hjb n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hjb n GLN 48 N 0.00 1.18 -0.00 1.61 1.13 -1.26 -4.60 117.38 115.43 3hjb n GLN 48 Ca 0.00 -0.89 0.00 0.00 -1.94 0.00 0.00 57.00 54.17 3hjb n GLN 48 Cb 0.00 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.90 3hjb n GLN 48 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3hjb n ASP 49 N -0.16 1.35 -3.90 1.08 8.00 -1.24 -4.95 116.55 116.74 3hjb n ASP 49 Ca 0.08 -1.32 -0.18 0.00 0.71 0.00 0.00 54.79 54.09 3hjb n ASP 49 Cb 0.44 -0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 41.38 3hjb n ASP 49 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hjb s ILE 50 N -0.34 0.42 -0.13 0.53 1.01 -1.08 -0.44 121.20 121.17 3hjb s ILE 50 Ca 0.01 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3hjb s ILE 50 Cb 0.01 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 42.06 3hjb s ILE 50 CO 0.01 0.17 -0.22 -0.22 0.00 0.00 0.00 174.94 174.67 3hjb s LEU 51 N 0.55 2.11 -0.31 2.97 2.96 0.22 -0.89 118.68 126.29 3hjb s LEU 51 Ca -0.06 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 3hjb s LEU 51 Cb -0.10 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.20 3hjb s LEU 51 CO -0.00 0.11 0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 3hjb s VAL 52 N 0.67 3.34 -0.38 1.68 1.01 0.32 -0.93 120.40 126.10 3hjb s VAL 52 Ca -0.11 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.56 3hjb s VAL 52 Cb -0.16 -2.87 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3hjb s VAL 52 CO 0.01 -0.09 0.20 -0.62 0.00 0.00 0.00 175.10 174.61 3hjb s ASP 53 N 1.33 5.71 -0.23 3.32 -1.08 0.32 -0.74 116.67 125.30 3hjb s ASP 53 Ca -0.03 -1.04 0.14 0.00 -0.52 0.00 0.00 52.55 51.10 3hjb s ASP 53 Cb -0.19 -2.01 0.53 0.00 -1.46 0.00 0.00 42.92 39.78 3hjb s ASP 53 CO 0.00 -0.39 1.46 0.00 0.52 0.00 0.00 175.17 176.75 3hjb n TYR 54 N 4.98 1.07 0.16 -5.34 0.18 -0.12 -1.25 117.16 116.84 3hjb n TYR 54 Ca -0.12 -1.15 0.03 0.00 1.88 0.00 0.00 57.90 58.55 3hjb n TYR 54 Cb 0.46 -0.40 0.16 0.00 -0.38 0.00 0.00 39.34 39.18 3hjb n TYR 54 CO 0.00 0.00 0.00 0.66 -2.08 0.00 0.00 176.86 175.44 3hjb h SER 55 N 1.50 0.00 -0.39 9.48 4.64 -1.68 -3.27 113.55 123.84 3hjb h SER 55 Ca 0.10 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.17 3hjb h SER 55 Cb 1.57 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.56 3hjb h SER 55 CO 0.31 0.49 0.22 0.29 -0.87 0.00 0.00 176.83 177.27 3hjb n LYS 56 N -3.38 1.70 -4.29 4.77 5.02 -1.26 -4.86 118.16 115.87 3hjb n LYS 56 Ca 0.01 -1.21 -0.27 0.00 -2.02 0.00 0.00 58.31 54.81 3hjb n LYS 56 Cb 0.65 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 3hjb n LYS 56 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hjb s ASN 57 N 0.87 4.21 -1.53 4.39 0.01 -1.23 -1.50 114.94 120.16 3hjb s ASN 57 Ca 0.31 -0.57 -0.11 0.00 -0.71 0.00 0.00 52.86 51.78 3hjb s ASN 57 Cb 0.21 -0.70 -0.01 0.00 0.41 0.00 0.00 41.25 41.15 3hjb s ASN 57 CO -0.03 0.12 2.59 0.18 -1.51 0.00 0.00 177.10 178.44 3hjb n LEU 58 N 0.17 7.89 -3.97 0.60 4.77 -1.26 -4.84 117.00 120.37 3hjb n LEU 58 Ca -0.11 -4.33 -0.11 0.00 -0.03 0.00 0.00 56.01 51.43 3hjb n LEU 58 Cb 0.55 -1.58 -0.12 0.00 -2.33 0.00 0.00 43.42 39.94 3hjb n LEU 58 CO 0.34 1.67 -0.37 0.68 -1.33 0.00 0.00 177.39 178.38 3hjb s VAL 59 N 2.26 0.16 0.19 4.08 -7.23 -1.26 -4.98 120.40 113.62 3hjb s VAL 59 Ca 0.58 -0.70 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 3hjb s VAL 59 Cb 0.16 -0.26 -0.00 0.00 0.56 0.00 0.00 36.38 36.84 3hjb s VAL 59 CO -0.07 -0.34 0.03 -0.46 -0.31 0.00 0.00 175.10 173.95 3hjb n ASN 60 N 1.98 1.81 -0.37 4.85 0.23 -1.26 -4.99 115.26 117.51 3hjb n ASN 60 Ca -0.21 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 51.96 3hjb n ASN 60 Cb 0.56 0.28 0.15 0.00 -2.08 0.00 0.00 39.78 38.69 3hjb n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hjb h ALA 61 N 1.19 1.35 -0.56 -2.53 0.00 -2.02 -1.53 119.26 115.16 3hjb h ALA 61 Ca -0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hjb h ALA 61 Cb 0.51 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hjb h ALA 61 CO 0.24 0.55 0.18 1.49 0.00 0.00 0.00 179.25 181.72 3hjb h GLU 62 N 1.27 0.86 -0.35 0.00 4.81 -1.99 -1.06 114.58 118.12 3hjb h GLU 62 Ca 0.40 -0.18 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3hjb h GLU 62 Cb 0.01 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3hjb h GLU 62 CO -0.13 0.78 0.20 1.15 -0.73 0.00 0.00 179.01 180.28 3hjb h THR 63 N 0.78 1.02 -0.64 0.32 2.02 -1.69 -1.60 112.91 113.11 3hjb h THR 63 Ca 0.18 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 3hjb h THR 63 Cb 0.27 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 3hjb h THR 63 CO -0.01 0.07 0.24 0.24 0.37 0.00 0.00 175.52 176.44 3hjb h MET 64 N 0.41 0.96 -0.31 6.66 2.86 -1.16 -0.88 114.93 123.47 3hjb h MET 64 Ca 0.14 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3hjb h MET 64 Cb 0.02 -0.15 -0.06 0.00 0.06 0.00 0.00 31.60 31.47 3hjb h MET 64 CO -0.08 0.82 -0.05 0.37 1.06 0.00 0.00 176.91 179.04 3hjb h GLN 65 N 0.90 0.03 -0.41 1.72 4.15 -0.84 0.07 115.11 120.74 3hjb h GLN 65 Ca 0.21 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.50 3hjb h GLN 65 Cb 0.23 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3hjb h GLN 65 CO -0.01 0.02 -0.25 0.45 -1.93 0.00 0.00 178.83 177.11 3hjb h HIS 66 N 0.03 0.96 -0.29 3.99 3.86 -1.00 -1.58 115.15 121.12 3hjb h HIS 66 Ca 0.15 -0.23 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3hjb h HIS 66 Cb 0.22 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 3hjb h HIS 66 CO -0.27 0.99 0.09 -0.07 0.86 0.00 0.00 177.93 179.54 3hjb h LEU 67 N 0.72 0.42 -1.22 2.43 3.38 -0.78 -1.31 115.31 118.96 3hjb h LEU 67 Ca 0.09 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3hjb h LEU 67 Cb 0.78 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 3hjb h LEU 67 CO 0.06 0.51 -0.11 -0.26 0.09 0.00 0.00 178.44 178.74 3hjb h PHE 68 N 0.31 0.43 -0.54 1.13 0.04 -0.91 -1.84 116.94 115.56 3hjb h PHE 68 Ca 0.09 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 3hjb h PHE 68 Cb 0.24 -0.12 -0.03 0.00 2.20 0.00 0.00 35.95 38.24 3hjb h PHE 68 CO 0.00 0.51 0.23 0.00 -0.60 0.00 0.00 178.31 178.45 3hjb h ALA 69 N 1.51 1.39 -0.41 2.45 0.00 -0.96 -1.93 119.26 121.32 3hjb h ALA 69 Ca 0.08 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3hjb h ALA 69 Cb 0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hjb h ALA 69 CO 0.02 0.47 0.06 1.25 0.00 0.00 0.00 179.25 181.05 3hjb h LEU 70 N 0.76 0.66 -0.84 0.00 5.85 -0.42 0.10 115.31 121.42 3hjb h LEU 70 Ca 0.19 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3hjb h LEU 70 Cb 0.13 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 3hjb h LEU 70 CO -0.02 0.76 0.55 0.00 -0.34 0.00 0.00 178.44 179.38 3hjb h ALA 71 N 0.93 1.09 -0.02 1.25 0.00 -1.04 -2.03 119.26 119.43 3hjb h ALA 71 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hjb h ALA 71 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 71 CO 0.01 0.41 0.01 0.87 0.00 0.00 0.00 179.25 180.54 3hjb h LYS 72 N 1.08 0.03 0.00 0.00 1.79 -1.15 -2.33 116.57 116.00 3hjb h LYS 72 Ca 0.33 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 3hjb h LYS 72 Cb -0.04 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 3hjb h LYS 72 CO -0.10 0.24 -0.09 1.49 -1.08 0.00 0.00 179.45 179.92 3hjb h GLU 73 N -0.18 0.00 -0.32 3.15 4.81 -0.72 0.14 114.58 121.47 3hjb h GLU 73 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3hjb h GLU 73 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 3hjb h GLU 73 CO -0.00 0.09 0.00 0.25 -0.73 0.00 0.00 179.01 178.62 3hjb n THR 74 N -3.50 0.41 -3.53 0.32 -2.24 -0.79 -4.95 114.28 100.00 3hjb n THR 74 Ca -0.02 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 61.05 3hjb n THR 74 Cb 0.23 0.47 0.07 0.00 -2.10 0.00 0.00 70.33 69.00 3hjb n THR 74 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3hjb n ASP 75 N 0.75 -2.19 -0.01 3.42 -0.08 0.04 -4.77 116.55 113.71 3hjb n ASP 75 Ca 0.16 -0.67 0.09 0.00 -1.51 0.00 0.00 54.79 52.86 3hjb n ASP 75 Cb 0.41 -4.79 0.49 0.00 2.34 0.00 0.00 41.12 39.56 3hjb n ASP 75 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 3hjb h LEU 76 N -1.96 0.36 -0.60 -2.67 5.85 -1.61 -2.60 115.31 112.09 3hjb h LEU 76 Ca -0.59 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.12 3hjb h LEU 76 Cb 1.35 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3hjb h LEU 76 CO 0.53 0.24 0.37 0.06 -0.34 0.00 0.00 178.44 179.30 3hjb h GLN 77 N 0.42 0.80 -0.14 1.25 3.07 -1.90 -0.79 115.11 117.82 3hjb h GLN 77 Ca 0.20 -0.07 -0.09 0.00 0.09 0.00 0.00 58.65 58.78 3hjb h GLN 77 Cb 0.26 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 3hjb h GLN 77 CO -0.05 0.57 -0.31 0.77 0.09 0.00 0.00 178.83 179.90 3hjb h SER 78 N 0.81 0.26 -0.45 0.06 0.02 -1.76 -2.55 113.55 109.94 3hjb h SER 78 Ca 0.22 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 3hjb h SER 78 Cb -0.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 3hjb h SER 78 CO -0.04 0.57 -0.03 0.00 -1.14 0.00 0.00 176.83 176.19 3hjb h ALA 79 N 1.45 0.61 -0.13 3.77 0.00 -1.14 -0.75 119.26 123.06 3hjb h ALA 79 Ca 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.66 3hjb h ALA 79 Cb 0.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3hjb h ALA 79 CO 0.05 0.43 0.07 0.82 0.00 0.00 0.00 179.25 180.61 3hjb h ILE 80 N 0.65 1.00 -0.73 0.00 2.04 -0.97 -1.45 117.51 118.04 3hjb h ILE 80 Ca 0.12 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.94 3hjb h ILE 80 Cb 0.54 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.42 3hjb h ILE 80 CO 0.03 0.03 0.48 0.74 0.00 0.00 0.00 178.15 179.42 3hjb h THR 81 N 0.14 1.17 -0.34 -0.27 2.02 -1.37 -2.41 112.91 111.86 3hjb h THR 81 Ca 0.05 -0.33 0.04 0.00 0.77 0.00 0.00 66.41 66.94 3hjb h THR 81 Cb 0.01 0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 66.49 3hjb h THR 81 CO -0.03 0.18 0.10 0.00 0.37 0.00 0.00 175.52 176.13 3hjb h ALA 82 N 1.27 0.38 0.62 6.16 0.00 -0.72 -1.44 119.26 125.53 3hjb h ALA 82 Ca 0.27 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3hjb h ALA 82 Cb -0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3hjb h ALA 82 CO -0.07 -0.30 -0.34 1.98 0.00 0.00 0.00 179.25 180.52 3hjb h MET 83 N 0.23 -0.85 -0.08 0.00 -1.53 -0.96 -1.75 114.93 109.98 3hjb h MET 83 Ca 0.16 0.06 -0.01 0.00 -3.44 0.00 0.00 59.70 56.46 3hjb h MET 83 Cb 0.15 0.19 -0.01 0.00 -0.55 0.00 0.00 31.60 31.38 3hjb h MET 83 CO -0.18 -0.57 -0.01 0.74 0.14 0.00 0.00 176.91 177.03 3hjb h PHE 84 N -0.89 0.11 -0.00 1.39 -1.00 -1.30 -2.12 116.94 113.14 3hjb h PHE 84 Ca -0.08 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.70 3hjb h PHE 84 Cb 0.70 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 40.22 3hjb h PHE 84 CO -0.07 0.14 -0.16 0.36 -1.61 0.00 0.00 178.31 176.98 3hjb n LYS 85 N -4.45 0.35 -0.40 1.51 2.85 -0.55 -4.93 118.16 112.53 3hjb n LYS 85 Ca -0.02 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 3hjb n LYS 85 Cb 0.14 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.02 3hjb n LYS 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3hjb n GLY 86 N 1.39 0.76 3.76 2.58 0.00 -0.80 -4.43 105.19 108.44 3hjb n GLY 86 Ca 0.11 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 3hjb n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hjb s GLU 87 N -0.76 3.40 -1.44 1.61 2.12 -0.67 -4.70 118.70 118.26 3hjb s GLU 87 Ca 0.00 2.18 -0.13 0.00 0.36 0.00 0.00 54.97 57.38 3hjb s GLU 87 Cb 0.00 -2.39 -0.00 0.00 0.26 0.00 0.00 34.13 32.00 3hjb s GLU 87 CO 0.00 -0.96 2.37 0.00 -0.54 0.00 0.00 175.26 176.12 3hjb n ALA 88 N -0.70 5.83 0.28 6.30 0.00 -1.26 -4.25 120.51 126.72 3hjb n ALA 88 Ca 0.08 -3.73 0.18 0.00 0.00 0.00 0.00 53.44 49.97 3hjb n ALA 88 Cb 0.45 -3.50 0.75 0.00 0.00 0.00 0.00 19.45 17.15 3hjb n ALA 88 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3hjb h ILE 89 N 3.80 0.02 -1.32 0.00 3.07 -1.86 -3.28 117.51 117.93 3hjb h ILE 89 Ca 0.63 -0.46 -0.69 0.00 1.55 0.00 0.00 64.86 65.88 3hjb h ILE 89 Cb 0.55 1.45 -0.11 0.00 -0.27 0.00 0.00 36.82 38.44 3hjb h ILE 89 CO 1.86 0.01 1.87 0.21 -1.05 0.00 0.00 178.15 181.05 3hjb s ASN 90 N -5.64 6.89 0.25 2.16 3.84 -0.69 -4.80 114.94 116.95 3hjb s ASN 90 Ca 0.00 -2.56 0.06 0.00 0.21 0.00 0.00 52.86 50.57 3hjb s ASN 90 Cb 0.10 -2.52 0.29 0.00 -0.55 0.00 0.00 41.25 38.56 3hjb s ASN 90 CO 0.53 -1.05 1.58 1.56 -2.79 0.00 0.00 177.10 176.93 3hjb h GLN 91 N 7.58 0.19 0.00 0.43 4.20 -1.81 0.12 115.11 125.81 3hjb h GLN 91 Ca 0.39 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.91 3hjb h GLN 91 Cb 0.88 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3hjb h GLN 91 CO 1.38 0.73 -0.31 1.79 -0.67 0.00 0.00 178.83 181.75 3hjb h THR 92 N 0.14 0.80 -0.02 -0.54 1.35 -1.92 -2.73 112.91 109.99 3hjb h THR 92 Ca -0.00 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3hjb h THR 92 Cb 1.08 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.32 3hjb h THR 92 CO 0.09 0.31 -0.14 -0.62 -0.25 0.00 0.00 175.52 174.90 3hjb n GLU 93 N -3.54 1.45 -3.57 4.72 1.02 -1.17 -5.02 120.64 114.52 3hjb n GLU 93 Ca -0.00 -1.12 -0.26 0.00 -0.02 0.00 0.00 57.16 55.75 3hjb n GLU 93 Cb 0.46 -1.27 0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3hjb n GLU 93 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hjb n ASP 94 N 0.40 -5.73 -4.06 1.62 2.03 0.26 -5.02 116.55 106.05 3hjb n ASP 94 Ca 0.08 -0.90 -0.12 0.00 0.52 0.00 0.00 54.79 54.37 3hjb n ASP 94 Cb 0.35 -3.76 -0.11 0.00 -0.72 0.00 0.00 41.12 36.88 3hjb n ASP 94 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3hjb s ARG 95 N -5.46 0.54 0.87 -0.67 0.52 -0.33 -5.02 118.95 109.39 3hjb s ARG 95 Ca 0.43 -0.84 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 3hjb s ARG 95 Cb -0.13 -0.17 0.11 0.00 0.52 0.00 0.00 34.95 35.28 3hjb s ARG 95 CO 0.83 0.01 1.12 0.00 0.02 0.00 0.00 175.30 177.28 3hjb s ALA 96 N -1.88 1.90 -0.35 2.13 0.00 -1.26 -1.70 121.76 120.60 3hjb s ALA 96 Ca -0.07 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3hjb s ALA 96 Cb -0.07 -3.07 0.12 0.00 0.00 0.00 0.00 23.12 20.10 3hjb s ALA 96 CO -0.01 -2.11 0.15 0.08 0.00 0.00 0.00 175.76 173.87 3hjb s VAL 97 N -3.21 0.94 -0.21 0.00 1.01 -1.26 -4.37 120.40 113.29 3hjb s VAL 97 Ca 0.63 -1.78 0.16 0.00 0.00 0.00 0.00 61.98 60.98 3hjb s VAL 97 Cb -0.15 -1.69 0.46 0.00 0.00 0.00 0.00 36.38 35.00 3hjb s VAL 97 CO 0.54 -0.78 1.17 0.18 0.00 0.00 0.00 175.10 176.21 3hjb n LEU 98 N 4.36 2.85 0.22 3.92 4.77 -0.22 -4.73 117.00 128.17 3hjb n LEU 98 Ca 0.03 -3.62 0.12 0.00 -0.03 0.00 0.00 56.01 52.51 3hjb n LEU 98 Cb 0.39 -0.10 0.72 0.00 -2.33 0.00 0.00 43.42 42.10 3hjb n LEU 98 CO 0.16 1.39 1.11 1.12 -1.33 0.00 0.00 177.39 179.83 3hjb h HIS 99 N 1.84 0.00 -0.06 -1.77 2.07 -1.87 -0.97 115.15 114.39 3hjb h HIS 99 Ca 0.05 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.54 3hjb h HIS 99 Cb 1.41 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.39 3hjb h HIS 99 CO 0.62 0.00 -0.07 1.79 -3.07 0.00 0.00 177.93 177.20 3hjb h THR 100 N 0.00 1.09 0.00 6.12 1.35 -1.94 -2.21 112.91 117.32 3hjb h THR 100 Ca 0.05 -0.41 -0.08 0.00 -0.55 0.00 0.00 66.41 65.43 3hjb h THR 100 Cb 0.23 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3hjb h THR 100 CO -0.00 0.12 -0.38 0.00 -0.25 0.00 0.00 175.52 175.02 3hjb h ALA 101 N 1.84 1.22 0.00 6.62 0.00 -1.54 -2.89 119.26 124.51 3hjb h ALA 101 Ca 0.02 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 3hjb h ALA 101 Cb 0.19 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hjb h ALA 101 CO 0.01 0.47 -0.10 -0.07 0.00 0.00 0.00 179.25 179.56 3hjb h LEU 102 N 0.00 0.00 -3.17 0.00 3.38 -1.40 -2.43 115.31 111.69 3hjb h LEU 102 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hjb h LEU 102 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3hjb h LEU 102 CO 0.05 0.10 -0.03 -2.11 0.09 0.00 0.00 178.44 176.54 3hjb n ARG 103 N -4.36 2.19 -2.27 1.13 1.85 -1.13 -4.92 116.66 109.14 3hjb n ARG 103 Ca -0.03 -2.80 -0.40 0.00 -1.00 0.00 0.00 57.85 53.62 3hjb n ARG 103 Cb 0.18 -1.71 -0.02 0.00 -1.05 0.00 0.00 32.46 29.86 3hjb n ARG 103 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 3hjb n ASN 104 N -0.92 4.25 0.27 2.89 5.15 -0.92 -4.34 115.26 121.65 3hjb n ASN 104 Ca 0.21 -2.85 0.12 0.00 -0.60 0.00 0.00 54.58 51.46 3hjb n ASN 104 Cb 0.81 -1.70 0.78 0.00 -0.53 0.00 0.00 39.78 39.14 3hjb n ASN 104 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 3hjb h ARG 105 N 7.84 0.00 0.00 1.20 2.47 -1.90 -1.16 114.38 122.82 3hjb h ARG 105 Ca 0.41 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.09 3hjb h ARG 105 Cb 0.84 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.16 3hjb h ARG 105 CO 1.50 0.06 -0.20 0.66 0.56 0.00 0.00 179.97 182.55 3hjb h SER 106 N 0.00 0.00 -0.79 7.04 4.64 -2.00 -3.47 113.55 118.98 3hjb h SER 106 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 3hjb h SER 106 Cb 0.14 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.09 3hjb h SER 106 CO 0.01 0.20 -0.31 0.59 -0.87 0.00 0.00 176.83 176.45 3hjb n ASN 107 N -3.69 -5.01 -4.78 4.97 3.02 -0.44 -4.98 115.26 104.35 3hjb n ASN 107 Ca -0.01 0.41 -0.41 0.00 -0.03 0.00 0.00 54.58 54.54 3hjb n ASN 107 Cb 0.32 -3.98 -0.00 0.00 -0.61 0.00 0.00 39.78 35.51 3hjb n ASN 107 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3hjb s SER 108 N -2.82 6.39 0.50 6.41 1.04 -1.26 -4.89 113.70 119.07 3hjb s SER 108 Ca 0.00 2.99 -0.23 0.00 0.48 0.00 0.00 55.95 59.18 3hjb s SER 108 Cb 0.00 -2.66 -0.07 0.00 0.10 0.00 0.00 66.02 63.39 3hjb s SER 108 CO 0.00 -0.83 1.39 -2.84 0.98 0.00 0.00 173.24 171.93 3hjb s PRO 109 N -2.07 3.42 -0.16 4.02 0.02 -1.26 -4.94 135.00 134.03 3hjb s PRO 109 Ca 0.52 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.85 3hjb s PRO 109 Cb -0.45 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 31.66 3hjb s PRO 109 CO 0.61 -1.00 -0.02 0.08 -0.33 0.00 0.00 177.00 176.35 3hjb s VAL 110 N -1.26 0.84 -0.06 3.83 1.01 -1.26 -5.04 120.40 118.45 3hjb s VAL 110 Ca 0.66 -0.49 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 3hjb s VAL 110 Cb -0.42 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3hjb s VAL 110 CO 0.52 0.06 0.46 -0.76 0.00 0.00 0.00 175.10 175.38 3hjb s LEU 111 N 1.75 4.36 -0.05 3.92 1.43 -1.26 -0.78 118.68 128.05 3hjb s LEU 111 Ca 0.01 0.90 -0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3hjb s LEU 111 Cb -0.15 -2.68 0.03 0.00 0.03 0.00 0.00 46.19 43.41 3hjb s LEU 111 CO -0.07 0.13 -0.01 -0.69 0.23 0.00 0.00 176.35 175.93 3hjb s VAL 112 N -0.05 0.33 -1.52 -1.59 1.01 -0.41 -4.64 120.40 113.53 3hjb s VAL 112 Ca 0.25 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 3hjb s VAL 112 Cb -0.16 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 35.87 3hjb s VAL 112 CO 0.12 0.21 0.94 0.59 0.00 0.00 0.00 175.10 176.95 3hjb n ASN 113 N 4.53 -4.28 -0.11 3.32 3.02 -1.26 -1.97 115.26 118.52 3hjb n ASN 113 Ca -0.18 -0.80 -0.01 0.00 -0.03 0.00 0.00 54.58 53.56 3hjb n ASN 113 Cb 0.50 -3.83 -0.01 0.00 -0.61 0.00 0.00 39.78 35.84 3hjb n ASN 113 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 114 N -1.68 0.38 3.09 7.41 0.00 -1.26 -5.00 105.19 108.13 3hjb n GLY 114 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 3hjb n GLY 114 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjb s GLU 115 N -1.25 0.91 0.09 1.61 2.02 -0.83 -5.06 118.70 116.19 3hjb s GLU 115 Ca 0.00 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.14 3hjb s GLU 115 Cb 0.00 -0.88 -0.08 0.00 0.10 0.00 0.00 34.13 33.27 3hjb s GLU 115 CO 0.00 0.23 1.41 0.34 0.02 0.00 0.00 175.26 177.27 3hjb s ASP 116 N -0.62 6.81 0.01 -0.19 2.15 -1.26 -1.29 116.67 122.29 3hjb s ASP 116 Ca 0.03 2.30 0.26 0.00 0.43 0.00 0.00 52.55 55.57 3hjb s ASP 116 Cb -0.06 -2.58 0.72 0.00 -0.30 0.00 0.00 42.92 40.70 3hjb s ASP 116 CO 0.00 -0.68 1.57 1.33 -0.17 0.00 0.00 175.17 177.22 3hjb n VAL 117 N 4.13 0.04 -0.28 1.11 0.24 0.04 -4.35 118.33 119.26 3hjb n VAL 117 Ca 0.12 -0.03 -0.05 0.00 -2.04 0.00 0.00 64.34 62.35 3hjb n VAL 117 Cb 0.42 -0.02 0.10 0.00 -1.47 0.00 0.00 33.84 32.87 3hjb n VAL 117 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 3hjb h MET 118 N 0.00 1.17 -0.96 7.34 2.86 -1.91 -1.89 114.93 121.53 3hjb h MET 118 Ca 0.00 -0.19 0.03 0.00 -2.06 0.00 0.00 59.70 57.49 3hjb h MET 118 Cb 0.52 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.93 3hjb h MET 118 CO 0.00 0.92 0.63 -1.35 1.06 0.00 0.00 176.91 178.17 3hjb h PRO 119 N 1.15 1.19 -0.49 -0.22 0.11 -1.98 0.22 132.00 131.98 3hjb h PRO 119 Ca 0.27 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 3hjb h PRO 119 Cb 0.16 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 3hjb h PRO 119 CO -0.03 0.79 -0.17 0.00 -0.21 0.00 0.00 178.00 178.37 3hjb h ALA 120 N 1.39 0.77 -0.14 -0.75 0.00 -1.73 0.46 119.26 119.25 3hjb h ALA 120 Ca 0.38 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hjb h ALA 120 Cb -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hjb h ALA 120 CO -0.12 0.66 0.09 0.28 0.00 0.00 0.00 179.25 180.17 3hjb h VAL 121 N 0.84 1.03 -0.12 0.00 2.07 -0.91 -2.35 116.25 116.81 3hjb h VAL 121 Ca 0.12 -0.07 -0.08 0.00 0.82 0.00 0.00 66.70 67.49 3hjb h VAL 121 Cb 0.73 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3hjb h VAL 121 CO 0.06 0.04 -0.29 0.78 0.02 0.00 0.00 177.57 178.17 3hjb h ASN 122 N 0.19 0.23 -0.51 0.57 2.35 -0.78 -2.36 115.58 115.28 3hjb h ASN 122 Ca 0.05 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3hjb h ASN 122 Cb -0.02 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3hjb h ASN 122 CO -0.01 0.53 -0.01 0.00 -1.65 0.00 0.00 177.43 176.28 3hjb h ALA 123 N 1.49 0.69 -0.43 -0.83 0.00 -0.63 -0.70 119.26 118.85 3hjb h ALA 123 Ca 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3hjb h ALA 123 Cb 0.63 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3hjb h ALA 123 CO 0.05 0.52 0.14 0.28 0.00 0.00 0.00 179.25 180.23 3hjb h VAL 124 N 0.78 1.22 -0.61 0.00 2.07 -1.24 -1.28 116.25 117.19 3hjb h VAL 124 Ca 0.14 -0.72 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3hjb h VAL 124 Cb 0.54 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3hjb h VAL 124 CO 0.03 0.26 0.31 -0.07 0.02 0.00 0.00 177.57 178.12 3hjb h LEU 125 N 0.56 0.43 -0.75 2.57 3.38 -1.23 -0.37 115.31 119.90 3hjb h LEU 125 Ca 0.14 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3hjb h LEU 125 Cb 0.26 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3hjb h LEU 125 CO -0.00 0.28 0.28 0.00 0.09 0.00 0.00 178.44 179.09 3hjb h ALA 126 N 1.35 0.98 -0.54 1.53 0.00 -0.89 -0.30 119.26 121.39 3hjb h ALA 126 Ca 0.28 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3hjb h ALA 126 Cb 0.22 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3hjb h ALA 126 CO -0.21 0.62 0.27 0.87 0.00 0.00 0.00 179.25 180.80 3hjb h LYS 127 N 1.09 0.77 -0.66 0.00 1.57 -0.72 -1.93 116.57 116.70 3hjb h LYS 127 Ca 0.25 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.84 3hjb h LYS 127 Cb 0.24 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 3hjb h LYS 127 CO -0.02 0.63 0.11 0.52 -0.57 0.00 0.00 179.45 180.12 3hjb h MET 128 N 0.72 1.08 0.00 3.15 2.86 -0.76 -0.89 114.93 121.10 3hjb h MET 128 Ca 0.19 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3hjb h MET 128 Cb 0.10 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3hjb h MET 128 CO -0.03 0.98 -0.06 -0.22 1.06 0.00 0.00 176.91 178.65 3hjb h LYS 129 N 1.01 -0.11 -0.37 1.72 3.64 -0.82 -0.28 116.57 121.36 3hjb h LYS 129 Ca 0.20 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.58 3hjb h LYS 129 Cb 0.43 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3hjb h LYS 129 CO 0.01 -0.07 0.19 0.00 -2.27 0.00 0.00 179.45 177.31 3hjb h ALA 130 N 0.87 0.48 -0.41 5.00 0.00 -1.12 -1.84 119.26 122.24 3hjb h ALA 130 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hjb h ALA 130 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3hjb h ALA 130 CO -0.06 0.02 0.20 0.35 0.00 0.00 0.00 179.25 179.76 3hjb h PHE 131 N 0.46 0.59 -0.56 0.00 3.57 -1.09 -2.71 116.94 117.20 3hjb h PHE 131 Ca 0.13 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3hjb h PHE 131 Cb 0.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 3hjb h PHE 131 CO -0.02 0.48 0.16 0.66 -2.23 0.00 0.00 178.31 177.35 3hjb h SER 132 N 0.52 0.79 -0.65 0.41 4.64 -0.86 -1.60 113.55 116.81 3hjb h SER 132 Ca 0.14 -0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3hjb h SER 132 Cb 0.11 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 3hjb h SER 132 CO -0.02 0.76 0.20 -0.33 -0.87 0.00 0.00 176.83 176.57 3hjb h GLU 133 N 0.82 1.04 -0.44 4.77 5.08 -1.13 0.11 114.58 124.82 3hjb h GLU 133 Ca 0.18 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3hjb h GLU 133 Cb 0.27 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3hjb h GLU 133 CO -0.01 0.89 -0.08 0.00 -1.00 0.00 0.00 179.01 178.82 3hjb h ARG 134 N 1.00 0.83 0.10 2.33 3.08 -1.12 -0.76 114.38 119.84 3hjb h ARG 134 Ca 0.22 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3hjb h ARG 134 Cb 0.29 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3hjb h ARG 134 CO -0.01 0.93 -0.05 0.28 -1.07 0.00 0.00 179.97 180.05 3hjb h VAL 135 N 0.67 1.12 -0.55 2.04 2.07 -0.98 -0.99 116.25 119.62 3hjb h VAL 135 Ca 0.12 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 3hjb h VAL 135 Cb 0.60 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 3hjb h VAL 135 CO 0.04 0.24 0.02 0.40 0.02 0.00 0.00 177.57 178.29 3hjb h ILE 136 N -0.65 1.26 0.00 4.57 2.04 -0.86 -3.11 117.51 120.77 3hjb h ILE 136 Ca -0.01 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.76 3hjb h ILE 136 Cb 0.51 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3hjb h ILE 136 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 178.15 179.17 3hjb n GLY 137 N -0.42 -1.44 0.47 5.37 0.00 -0.29 -4.92 105.19 103.94 3hjb n GLY 137 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3hjb n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hjb n GLY 138 N 1.00 0.54 0.29 -0.02 0.00 -1.08 -4.96 105.19 100.96 3hjb n GLY 138 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3hjb n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hjb h GLU 139 N 4.32 0.82 -6.33 1.61 5.08 -1.67 -3.41 114.58 115.00 3hjb h GLU 139 Ca 0.00 -0.24 -0.57 0.00 -1.00 0.00 0.00 59.36 57.55 3hjb h GLU 139 Cb 0.00 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 3hjb h GLU 139 CO 0.00 0.85 1.00 -0.46 -1.00 0.00 0.00 179.01 179.39 3hjb s TRP 140 N -4.94 2.58 0.03 4.33 -0.11 -0.44 -5.01 118.94 115.39 3hjb s TRP 140 Ca -0.10 0.81 0.01 0.00 1.22 0.00 0.00 56.10 58.04 3hjb s TRP 140 Cb 0.14 -3.91 -0.04 0.00 -1.50 0.00 0.00 33.47 28.16 3hjb s TRP 140 CO 0.82 -1.93 0.09 0.15 -4.62 0.00 0.00 176.95 171.45 3hjb s LYS 141 N 4.24 3.03 0.90 5.86 -0.14 -1.26 -4.06 119.74 128.31 3hjb s LYS 141 Ca 0.59 -0.55 -0.15 0.00 -1.36 0.00 0.00 55.97 54.50 3hjb s LYS 141 Cb -0.18 -2.83 0.22 0.00 -1.68 0.00 0.00 37.83 33.35 3hjb s LYS 141 CO 0.24 0.62 0.97 0.41 -0.76 0.00 0.00 175.35 176.82 3hjb n GLY 142 N 0.90 -2.13 0.15 -3.33 0.00 0.54 -4.85 105.19 96.47 3hjb n GLY 142 Ca -0.11 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.44 3hjb n GLY 142 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3hjb n PHE 143 N -3.98 0.83 -0.29 1.61 1.16 -1.26 -1.26 117.46 114.27 3hjb n PHE 143 Ca 0.13 0.35 0.07 0.00 -1.87 0.00 0.00 57.45 56.13 3hjb n PHE 143 Cb 0.47 -1.07 0.20 0.00 -1.61 0.00 0.00 39.48 37.47 3hjb n PHE 143 CO 0.00 0.00 0.00 0.25 -1.87 0.00 0.00 176.76 175.14 3hjb n THR 144 N -2.28 1.14 -0.65 1.97 -2.24 -1.26 -4.98 114.28 105.98 3hjb n THR 144 Ca 0.01 -1.08 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 3hjb n THR 144 Cb 0.18 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3hjb n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjb n GLY 145 N 0.65 0.63 3.90 3.38 0.00 -0.39 -5.07 105.19 108.29 3hjb n GLY 145 Ca 0.15 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3hjb n GLY 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 146 N -0.92 3.29 0.55 1.61 1.02 -1.26 -4.75 119.74 119.28 3hjb s LYS 146 Ca 0.00 -0.60 -0.19 0.00 0.02 0.00 0.00 55.97 55.20 3hjb s LYS 146 Cb 0.00 -2.91 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 3hjb s LYS 146 CO 0.00 0.55 1.13 0.00 -0.92 0.00 0.00 175.35 176.11 3hjb s ALA 147 N -1.63 2.67 0.27 5.17 0.00 -1.26 -0.34 121.76 126.65 3hjb s ALA 147 Ca 0.34 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.80 3hjb s ALA 147 Cb -0.12 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3hjb s ALA 147 CO 0.27 -0.82 1.21 0.42 0.00 0.00 0.00 175.76 176.84 3hjb s ILE 148 N -1.83 3.23 -0.00 0.00 -1.09 -1.26 -4.75 121.20 115.49 3hjb s ILE 148 Ca 0.72 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 3hjb s ILE 148 Cb -0.23 -3.74 -0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3hjb s ILE 148 CO 0.28 0.25 0.00 0.35 -1.23 0.00 0.00 174.94 174.59 3hjb n THR 149 N 1.50 0.00 -4.20 2.92 -2.24 -0.01 -4.96 114.28 107.29 3hjb n THR 149 Ca 0.01 -0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 3hjb n THR 149 Cb 0.44 0.47 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 3hjb n THR 149 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hjb s ASP 150 N -2.03 0.83 -0.09 3.42 1.01 -0.95 -1.54 116.67 117.32 3hjb s ASP 150 Ca -0.00 -0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.06 3hjb s ASP 150 Cb 0.00 -0.06 0.01 0.00 1.01 0.00 0.00 42.92 43.88 3hjb s ASP 150 CO 0.00 0.02 -0.18 -0.69 0.21 0.00 0.00 175.17 174.53 3hjb s VAL 151 N -0.45 1.62 -0.23 -1.27 1.01 -0.18 -0.88 120.40 120.01 3hjb s VAL 151 Ca -0.00 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 3hjb s VAL 151 Cb -0.04 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.93 3hjb s VAL 151 CO -0.00 0.46 -0.11 -0.69 0.00 0.00 0.00 175.10 174.77 3hjb s VAL 152 N 0.62 2.53 -0.09 2.92 1.01 0.25 -0.48 120.40 127.17 3hjb s VAL 152 Ca -0.14 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.53 3hjb s VAL 152 Cb -0.16 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 3hjb s VAL 152 CO 0.04 0.25 0.57 0.21 0.00 0.00 0.00 175.10 176.17 3hjb s ASN 153 N 1.28 6.81 -0.20 3.32 2.47 0.40 -0.79 114.94 128.23 3hjb s ASN 153 Ca -0.00 0.97 -0.00 0.00 0.42 0.00 0.00 52.86 54.25 3hjb s ASN 153 Cb -0.16 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.32 3hjb s ASN 153 CO -0.07 -0.04 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.50 3hjb s ILE 154 N 0.67 2.44 -0.08 -5.21 1.01 0.31 -0.74 121.20 119.62 3hjb s ILE 154 Ca 0.31 -0.92 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 3hjb s ILE 154 Cb -0.16 -2.12 0.12 0.00 0.01 0.00 0.00 42.46 40.32 3hjb s ILE 154 CO 0.14 0.42 1.23 -0.83 0.00 0.00 0.00 174.94 175.90 3hjb s GLY 155 N 1.32 -0.36 0.20 6.18 0.00 -0.88 -0.63 107.32 113.15 3hjb s GLY 155 Ca 0.03 1.03 0.08 0.00 0.00 0.00 0.00 44.72 45.87 3hjb s GLY 155 CO -0.09 0.28 -0.16 -0.26 0.00 0.00 0.00 173.10 172.87 3hjb s ILE 156 N -2.48 1.84 0.00 0.90 -4.36 -1.26 -3.96 121.20 111.89 3hjb s ILE 156 Ca 0.12 -2.16 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 3hjb s ILE 156 Cb 0.02 -2.02 0.00 0.00 1.25 0.00 0.00 42.46 41.71 3hjb s ILE 156 CO -0.04 -0.51 0.00 0.61 0.24 0.00 0.00 174.94 175.24 3hjb n GLY 157 N -0.24 3.47 0.32 6.27 0.00 -1.26 -1.23 105.19 112.52 3hjb n GLY 157 Ca -0.09 0.15 0.20 0.00 0.00 0.00 0.00 46.02 46.28 3hjb n GLY 157 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3hjb h GLY 158 N 0.00 0.00 0.78 -0.02 0.00 -1.97 0.18 103.07 102.04 3hjb h GLY 158 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3hjb h GLY 158 CO 0.00 0.00 -0.07 1.44 0.00 0.00 0.00 176.54 177.91 3hjb n SER 159 N -3.32 0.50 0.01 0.19 7.64 -0.36 -4.41 113.62 113.86 3hjb n SER 159 Ca -0.03 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.11 3hjb n SER 159 Cb 0.11 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3hjb n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3hjb n ASP 160 N -0.83 0.09 -0.18 6.43 2.03 -0.39 -4.51 116.55 119.19 3hjb n ASP 160 Ca 0.17 0.02 -0.05 0.00 0.52 0.00 0.00 54.79 55.45 3hjb n ASP 160 Cb 0.26 -0.02 0.04 0.00 -0.72 0.00 0.00 41.12 40.68 3hjb n ASP 160 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3hjb h LEU 161 N 0.00 0.50 0.30 -2.67 3.38 -1.23 -1.28 115.31 114.30 3hjb h LEU 161 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3hjb h LEU 161 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.34 3hjb h LEU 161 CO 0.00 0.35 -0.14 1.23 0.09 0.00 0.00 178.44 179.97 3hjb h GLY 162 N 0.62 -0.42 0.76 0.83 0.00 -1.80 -0.81 103.07 102.25 3hjb h GLY 162 Ca 0.22 0.16 0.07 0.00 0.00 0.00 0.00 47.33 47.77 3hjb h GLY 162 CO -0.10 -0.15 0.64 -2.55 0.00 0.00 0.00 176.54 174.37 3hjb h PRO 163 N -0.76 1.11 -0.03 4.80 0.11 -1.84 0.39 132.00 135.79 3hjb h PRO 163 Ca -0.04 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3hjb h PRO 163 Cb 0.50 -0.25 -0.00 0.00 0.11 0.00 0.00 31.00 31.36 3hjb h PRO 163 CO 0.07 0.73 -0.00 -0.92 -0.21 0.00 0.00 178.00 177.67 3hjb h TYR 164 N 1.14 0.05 -0.67 0.65 3.20 -1.24 -1.33 116.97 118.78 3hjb h TYR 164 Ca 0.43 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.31 3hjb h TYR 164 Cb 0.18 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3hjb h TYR 164 CO -0.00 0.34 0.42 1.98 -1.64 0.00 0.00 178.16 179.26 3hjb h MET 165 N -0.26 0.80 -0.17 1.82 4.05 -0.71 -1.11 114.93 119.36 3hjb h MET 165 Ca 0.01 -0.05 -0.14 0.00 -0.28 0.00 0.00 59.70 59.24 3hjb h MET 165 Cb 0.32 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 3hjb h MET 165 CO 0.00 0.53 -0.43 0.28 0.23 0.00 0.00 176.91 177.52 3hjb h VAL 166 N 0.82 1.34 -0.44 -5.77 2.07 -0.89 -0.32 116.25 113.07 3hjb h VAL 166 Ca 0.27 -1.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.06 3hjb h VAL 166 Cb 0.01 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 3hjb h VAL 166 CO -0.10 0.52 0.08 0.71 0.02 0.00 0.00 177.57 178.79 3hjb h THR 167 N 0.25 1.20 -0.36 2.57 1.35 -1.13 -0.76 112.91 116.03 3hjb h THR 167 Ca -0.01 -0.75 -0.08 0.00 -0.55 0.00 0.00 66.41 65.02 3hjb h THR 167 Cb 1.04 0.78 -0.01 0.00 -1.73 0.00 0.00 68.15 68.23 3hjb h THR 167 CO 0.09 0.27 -0.08 -0.33 -0.25 0.00 0.00 175.52 175.22 3hjb h GLU 168 N 0.64 0.69 -0.04 4.72 4.39 -1.05 -2.61 114.58 121.32 3hjb h GLU 168 Ca 0.14 -0.26 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 3hjb h GLU 168 Cb 0.28 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 3hjb h GLU 168 CO 0.00 0.84 -0.22 0.00 -1.16 0.00 0.00 179.01 178.47 3hjb h ALA 169 N 0.82 1.55 -0.41 3.43 0.00 -0.58 -3.10 119.26 120.97 3hjb h ALA 169 Ca 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hjb h ALA 169 Cb 0.59 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 3hjb h ALA 169 CO 0.03 0.33 0.05 1.28 0.00 0.00 0.00 179.25 180.95 3hjb n LEU 170 N -4.25 4.55 -0.34 0.00 4.77 -0.33 -4.71 117.00 116.69 3hjb n LEU 170 Ca -0.02 -3.24 0.22 0.00 -0.03 0.00 0.00 56.01 52.94 3hjb n LEU 170 Cb 0.30 -0.62 0.45 0.00 -2.33 0.00 0.00 43.42 41.22 3hjb n LEU 170 CO 0.38 0.84 1.15 0.58 -1.33 0.00 0.00 177.39 179.00 3hjb h VAL 171 N 1.90 0.41 -0.01 4.08 2.07 -1.39 0.15 116.25 123.47 3hjb h VAL 171 Ca 0.12 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3hjb h VAL 171 Cb 1.74 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3hjb h VAL 171 CO 0.40 0.08 0.11 -0.65 0.02 0.00 0.00 177.57 177.53 3hjb h PRO 172 N 0.43 0.00 -0.47 1.57 0.11 -1.89 -1.63 132.00 130.12 3hjb h PRO 172 Ca 0.69 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.80 3hjb h PRO 172 Cb 1.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.62 3hjb h PRO 172 CO -0.51 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.94 3hjb n TYR 173 N -3.06 0.61 -2.11 0.65 4.01 0.53 -5.01 117.16 112.78 3hjb n TYR 173 Ca -0.03 -0.30 -0.33 0.00 -0.16 0.00 0.00 57.90 57.08 3hjb n TYR 173 Cb 0.17 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3hjb n TYR 173 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 3hjb s LYS 174 N -1.39 3.32 0.00 -0.72 -2.85 -0.62 -4.56 119.74 112.92 3hjb s LYS 174 Ca 0.41 1.31 0.00 0.00 -1.00 0.00 0.00 55.97 56.69 3hjb s LYS 174 Cb 0.23 -2.03 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 3hjb s LYS 174 CO 0.32 -0.82 0.00 0.27 0.10 0.00 0.00 175.35 175.22 3hjb n ASN 175 N -1.82 0.00 0.16 0.03 0.23 -0.26 -4.98 115.26 108.63 3hjb n ASN 175 Ca 0.09 -0.82 0.13 0.00 -0.53 0.00 0.00 54.58 53.45 3hjb n ASN 175 Cb 0.52 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.76 3hjb n ASN 175 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 3hjb h HIS 176 N -0.29 0.00 -4.05 -2.53 2.07 -1.94 -3.45 115.15 104.96 3hjb h HIS 176 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 3hjb h HIS 176 Cb 0.00 0.00 0.07 0.00 2.57 0.00 0.00 27.41 30.05 3hjb h HIS 176 CO 0.00 0.00 0.46 -0.51 -3.07 0.00 0.00 177.93 174.81 3hjb s LEU 177 N -4.80 3.87 -0.23 6.12 1.43 -1.26 -5.00 118.68 118.82 3hjb s LEU 177 Ca 0.03 2.25 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3hjb s LEU 177 Cb 0.09 -4.42 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3hjb s LEU 177 CO 0.41 -1.09 0.09 -0.89 0.23 0.00 0.00 176.35 175.11 3hjb s THR 178 N -1.66 4.72 -0.07 5.49 2.01 -0.59 -4.99 115.64 120.55 3hjb s THR 178 Ca 0.69 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.65 3hjb s THR 178 Cb -0.26 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.04 3hjb s THR 178 CO 0.31 0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.84 3hjb s VAL 179 N 1.11 3.59 0.06 3.82 1.01 -1.26 -1.01 120.40 127.72 3hjb s VAL 179 Ca 0.05 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.57 3hjb s VAL 179 Cb -0.14 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 3hjb s VAL 179 CO 0.04 0.59 -0.16 -1.00 0.00 0.00 0.00 175.10 174.57 3hjb s HIS 180 N -0.75 1.35 -0.13 5.22 3.76 0.37 -4.97 115.29 120.14 3hjb s HIS 180 Ca 0.11 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.61 3hjb s HIS 180 Cb -0.11 -0.77 0.02 0.00 1.11 0.00 0.00 32.58 32.83 3hjb s HIS 180 CO 0.01 0.08 -0.12 -0.06 -0.85 0.00 0.00 174.74 173.80 3hjb s PHE 181 N -1.09 1.92 -0.11 1.40 0.08 -1.26 -0.45 117.98 118.47 3hjb s PHE 181 Ca 0.01 -1.03 0.02 0.00 0.12 0.00 0.00 56.93 56.04 3hjb s PHE 181 Cb -0.09 -1.46 -0.01 0.00 -0.57 0.00 0.00 43.02 40.89 3hjb s PHE 181 CO 0.02 -0.60 -0.17 0.08 -0.10 0.00 0.00 175.22 174.45 3hjb s VAL 182 N 1.51 2.68 0.00 -0.44 1.01 0.09 -4.97 120.40 120.27 3hjb s VAL 182 Ca 0.04 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3hjb s VAL 182 Cb -0.13 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.16 3hjb s VAL 182 CO -0.09 0.54 0.00 -1.54 0.00 0.00 0.00 175.10 174.01 3hjb n SER 183 N 3.44 0.39 -4.77 3.32 3.41 -1.25 -2.08 113.62 116.08 3hjb n SER 183 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.02 3hjb n SER 183 Cb 0.53 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.46 3hjb n SER 183 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hjb s ASN 184 N -2.95 6.76 0.48 4.04 3.84 -1.26 -4.69 114.94 121.17 3hjb s ASN 184 Ca 0.00 2.63 0.28 0.00 0.21 0.00 0.00 52.86 55.97 3hjb s ASN 184 Cb 0.00 -2.64 1.00 0.00 -0.55 0.00 0.00 41.25 39.06 3hjb s ASN 184 CO 0.00 -0.54 1.85 1.62 -2.79 0.00 0.00 177.10 177.25 3hjb h VAL 185 N 2.94 0.25 -1.77 -5.21 3.04 -1.99 -3.44 116.25 110.08 3hjb h VAL 185 Ca -0.49 -0.88 -0.68 0.00 -1.01 0.00 0.00 66.70 63.64 3hjb h VAL 185 Cb 1.23 1.71 0.02 0.00 -2.01 0.00 0.00 31.29 32.24 3hjb h VAL 185 CO 0.65 0.10 0.92 -0.67 -1.01 0.00 0.00 177.57 177.57 3hjb n ASP 186 N -3.21 2.73 0.34 3.17 -0.08 -1.26 -4.80 116.55 113.44 3hjb n ASP 186 Ca 0.01 1.04 0.22 0.00 -1.51 0.00 0.00 54.79 54.55 3hjb n ASP 186 Cb 0.40 -1.24 1.18 0.00 2.34 0.00 0.00 41.12 43.80 3hjb n ASP 186 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3hjb h GLY 187 N 7.58 0.00 0.55 0.27 0.00 -2.03 -1.77 103.07 107.66 3hjb h GLY 187 Ca -0.47 0.00 0.11 0.00 0.00 0.00 0.00 47.33 46.97 3hjb h GLY 187 CO 0.94 0.00 0.63 -0.84 0.00 0.00 0.00 176.54 177.27 3hjb h THR 188 N 0.00 0.95 0.27 4.70 2.02 -1.93 -0.96 112.91 117.96 3hjb h THR 188 Ca 0.00 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 3hjb h THR 188 Cb 0.08 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.34 3hjb h THR 188 CO 0.00 0.18 -0.13 -0.74 0.37 0.00 0.00 175.52 175.20 3hjb h HIS 189 N 1.01 -0.34 -0.42 3.16 2.76 -1.61 -0.64 115.15 119.08 3hjb h HIS 189 Ca 0.48 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.51 3hjb h HIS 189 Cb 0.43 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.49 3hjb h HIS 189 CO -0.00 -0.13 -0.26 1.98 -1.30 0.00 0.00 177.93 178.22 3hjb h MET 190 N -0.49 0.91 -0.32 5.26 1.85 -1.74 -2.84 114.93 117.56 3hjb h MET 190 Ca -0.04 -0.42 0.03 0.00 -0.61 0.00 0.00 59.70 58.66 3hjb h MET 190 Cb 0.37 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.35 3hjb h MET 190 CO 0.06 1.08 0.12 0.00 -0.40 0.00 0.00 176.91 177.76 3hjb h ALA 191 N 0.81 0.37 -0.19 0.39 0.00 -0.99 0.11 119.26 119.77 3hjb h ALA 191 Ca 0.09 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 3hjb h ALA 191 Cb 0.84 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hjb h ALA 191 CO 0.07 -0.28 -0.32 0.93 0.00 0.00 0.00 179.25 179.65 3hjb h GLU 192 N 0.26 0.38 -0.21 0.00 4.39 -1.16 -2.79 114.58 115.45 3hjb h GLU 192 Ca 0.14 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3hjb h GLU 192 Cb 0.11 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3hjb h GLU 192 CO -0.14 0.66 -0.06 1.15 -1.16 0.00 0.00 179.01 179.46 3hjb h THR 193 N 0.33 1.29 -0.01 1.13 2.02 -1.16 -3.15 112.91 113.36 3hjb h THR 193 Ca 0.04 -1.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.15 3hjb h THR 193 Cb 0.73 1.55 -0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3hjb h THR 193 CO 0.06 0.32 -0.10 -0.07 0.37 0.00 0.00 175.52 176.09 3hjb h LEU 194 N 0.13 0.01 0.00 2.58 3.38 -0.88 -1.01 115.31 119.53 3hjb h LEU 194 Ca 0.05 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hjb h LEU 194 Cb 0.51 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hjb h LEU 194 CO 0.02 0.12 0.00 2.29 0.09 0.00 0.00 178.44 180.96 3hjb n LYS 195 N -4.41 0.12 0.00 1.13 2.85 -1.06 -2.81 118.16 113.98 3hjb n LYS 195 Ca -0.03 0.14 0.10 0.00 -1.05 0.00 0.00 58.31 57.47 3hjb n LYS 195 Cb 0.18 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 33.13 3hjb n LYS 195 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hjb n ASN 196 N -1.41 2.47 -4.34 -5.58 3.02 -0.39 -5.01 115.26 104.03 3hjb n ASN 196 Ca 0.07 -1.74 -0.18 0.00 -0.03 0.00 0.00 54.58 52.71 3hjb n ASN 196 Cb 0.20 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 3hjb n ASN 196 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3hjb s VAL 197 N -1.71 1.23 -0.06 2.41 -7.23 -1.12 -5.13 120.40 108.80 3hjb s VAL 197 Ca 0.21 -2.07 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 3hjb s VAL 197 Cb 0.16 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 3hjb s VAL 197 CO 0.28 -0.41 -0.20 -1.81 -0.31 0.00 0.00 175.10 172.66 3hjb s ASP 198 N -3.31 3.54 0.49 4.85 1.01 -1.26 -4.94 116.67 117.05 3hjb s ASP 198 Ca 0.26 -0.36 0.18 0.00 0.71 0.00 0.00 52.55 53.34 3hjb s ASP 198 Cb 0.04 -0.85 1.20 0.00 1.01 0.00 0.00 42.92 44.33 3hjb s ASP 198 CO 0.08 0.29 2.04 -0.65 0.21 0.00 0.00 175.17 177.13 3hjb h PRO 199 N 5.77 0.17 0.00 8.23 0.11 -1.94 -2.46 132.00 141.88 3hjb h PRO 199 Ca -0.39 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.70 3hjb h PRO 199 Cb 1.16 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3hjb h PRO 199 CO 0.49 0.11 -0.08 0.93 -0.21 0.00 0.00 178.00 179.25 3hjb h GLU 200 N 0.18 0.00 0.00 1.05 5.08 -1.96 -3.30 114.58 115.63 3hjb h GLU 200 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3hjb h GLU 200 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3hjb h GLU 200 CO -0.03 0.08 -0.16 0.25 -1.00 0.00 0.00 179.01 178.15 3hjb n THR 201 N -3.19 1.07 -4.97 1.13 -2.24 -0.95 -4.36 114.28 100.75 3hjb n THR 201 Ca 0.01 -1.26 -0.32 0.00 -2.27 0.00 0.00 64.05 60.20 3hjb n THR 201 Cb 0.37 0.15 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 3hjb n THR 201 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hjb s THR 202 N -1.58 2.71 -0.17 4.28 2.01 -1.05 -0.83 115.64 121.00 3hjb s THR 202 Ca 0.16 -0.81 -0.04 0.00 0.31 0.00 0.00 61.69 61.31 3hjb s THR 202 Cb 0.14 -2.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 3hjb s THR 202 CO 0.02 0.56 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.24 3hjb s LEU 203 N -0.09 3.12 -0.12 4.42 2.96 -0.06 -4.75 118.68 124.15 3hjb s LEU 203 Ca -0.03 -0.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3hjb s LEU 203 Cb -0.14 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3hjb s LEU 203 CO 0.04 0.11 0.09 -0.36 -1.32 0.00 0.00 176.35 174.90 3hjb s PHE 204 N 0.72 3.40 -0.21 5.38 0.08 0.64 -0.58 117.98 127.41 3hjb s PHE 204 Ca -0.02 0.34 -0.04 0.00 0.12 0.00 0.00 56.93 57.34 3hjb s PHE 204 Cb -0.15 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.36 3hjb s PHE 204 CO 0.02 0.54 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.13 3hjb s LEU 205 N -0.67 2.96 -0.44 -0.37 1.43 0.03 -0.86 118.68 120.75 3hjb s LEU 205 Ca 0.12 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.73 3hjb s LEU 205 Cb -0.12 -1.75 0.06 0.00 0.03 0.00 0.00 46.19 44.41 3hjb s LEU 205 CO 0.02 0.01 0.34 -0.69 0.23 0.00 0.00 176.35 176.26 3hjb s VAL 206 N 1.30 5.03 -0.52 -1.59 1.01 -0.10 -0.53 120.40 125.01 3hjb s VAL 206 Ca 0.04 -1.01 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 3hjb s VAL 206 Cb -0.14 -3.95 0.12 0.00 0.00 0.00 0.00 36.38 32.40 3hjb s VAL 206 CO -0.01 -0.48 0.45 0.00 0.00 0.00 0.00 175.10 175.06 3hjb s ALA 207 N 1.61 3.58 -0.30 5.51 0.00 0.20 -1.19 121.76 131.17 3hjb s ALA 207 Ca 0.04 -2.50 -0.06 0.00 0.00 0.00 0.00 51.96 49.44 3hjb s ALA 207 Cb -0.22 -3.15 0.16 0.00 0.00 0.00 0.00 23.12 19.91 3hjb s ALA 207 CO 0.07 -1.96 0.66 0.45 0.00 0.00 0.00 175.76 174.98 3hjb s SER 208 N 3.29 -1.20 0.17 0.00 0.15 -0.55 -4.49 113.70 111.07 3hjb s SER 208 Ca 0.04 1.15 -0.14 0.00 0.70 0.00 0.00 55.95 57.70 3hjb s SER 208 Cb -0.29 2.17 0.12 0.00 -1.71 0.00 0.00 66.02 66.32 3hjb s SER 208 CO 0.02 -0.23 1.75 0.50 1.20 0.00 0.00 173.24 176.49 3hjb h LYS 209 N 7.97 0.33 0.00 5.44 3.64 -1.94 -2.55 116.57 129.46 3hjb h LYS 209 Ca -0.20 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 3hjb h LYS 209 Cb 1.13 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 3hjb h LYS 209 CO 0.17 0.22 -0.30 1.79 -2.27 0.00 0.00 179.45 179.06 3hjb h THR 210 N 0.34 0.52 -1.64 1.00 1.35 -1.97 -2.51 112.91 110.00 3hjb h THR 210 Ca 0.21 -1.71 -0.37 0.00 -0.55 0.00 0.00 66.41 63.99 3hjb h THR 210 Cb 0.19 2.24 -0.09 0.00 -1.73 0.00 0.00 68.15 68.76 3hjb h THR 210 CO -0.20 0.29 -0.40 0.33 -0.25 0.00 0.00 175.52 175.29 3hjb n PHE 211 N -3.18 -0.38 -0.45 4.73 7.35 -0.96 -4.68 117.46 119.88 3hjb n PHE 211 Ca 0.03 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.72 3hjb n PHE 211 Cb 0.64 -3.35 0.00 0.00 0.35 0.00 0.00 39.48 37.13 3hjb n PHE 211 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 3hjb n THR 212 N -3.14 0.12 -1.69 -2.13 -2.24 -1.26 -4.96 114.28 98.97 3hjb n THR 212 Ca -0.20 -0.33 -0.51 0.00 -2.27 0.00 0.00 64.05 60.73 3hjb n THR 212 Cb 0.63 1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 70.10 3hjb n THR 212 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3hjb n THR 213 N -0.06 0.46 -0.06 4.28 -1.04 -1.26 -4.87 114.28 111.74 3hjb n THR 213 Ca 0.00 -0.08 -0.07 0.00 -2.04 0.00 0.00 64.05 61.85 3hjb n THR 213 Cb 0.17 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 67.03 3hjb n THR 213 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 3hjb h GLN 214 N 8.36 -0.10 0.03 -2.82 4.15 -1.98 -0.30 115.11 122.44 3hjb h GLN 214 Ca -0.48 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 3hjb h GLN 214 Cb 1.29 0.02 0.00 0.00 0.21 0.00 0.00 27.48 29.00 3hjb h GLN 214 CO 0.95 -0.07 -0.01 0.93 -1.93 0.00 0.00 178.83 178.70 3hjb h GLU 215 N -0.11 -0.03 -0.60 1.69 3.07 -1.95 -0.79 114.58 115.87 3hjb h GLU 215 Ca 0.14 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.99 3hjb h GLU 215 Cb 0.31 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 3hjb h GLU 215 CO -0.32 0.22 0.35 1.15 -1.40 0.00 0.00 179.01 179.02 3hjb h THR 216 N -0.29 1.18 -0.05 1.13 2.02 -1.84 -1.40 112.91 113.65 3hjb h THR 216 Ca -0.00 -0.43 -0.16 0.00 0.77 0.00 0.00 66.41 66.59 3hjb h THR 216 Cb 0.28 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3hjb h THR 216 CO 0.01 0.19 -0.66 0.24 0.37 0.00 0.00 175.52 175.67 3hjb h MET 217 N 0.81 0.23 -0.21 6.66 2.86 -1.00 0.12 114.93 124.41 3hjb h MET 217 Ca 0.21 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3hjb h MET 217 Cb 0.00 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 3hjb h MET 217 CO -0.04 0.81 0.13 1.15 1.06 0.00 0.00 176.91 180.02 3hjb h THR 218 N 0.16 1.06 -0.61 2.22 2.02 -0.88 -0.07 112.91 116.82 3hjb h THR 218 Ca -0.01 -0.13 0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hjb h THR 218 Cb 1.19 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 3hjb h THR 218 CO 0.10 0.06 0.40 0.78 0.37 0.00 0.00 175.52 177.24 3hjb h ASN 219 N 0.27 0.70 -0.60 4.18 2.35 -1.03 -1.77 115.58 119.68 3hjb h ASN 219 Ca 0.08 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3hjb h ASN 219 Cb -0.01 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 3hjb h ASN 219 CO -0.02 0.50 0.27 0.00 -1.65 0.00 0.00 177.43 176.53 3hjb h ALA 220 N 1.23 0.77 -0.30 -0.83 0.00 -0.46 -1.28 119.26 118.40 3hjb h ALA 220 Ca 0.22 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3hjb h ALA 220 Cb -0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3hjb h ALA 220 CO -0.05 0.35 -0.26 0.45 0.00 0.00 0.00 179.25 179.74 3hjb h HIS 221 N 0.82 0.68 -0.50 0.00 3.86 -0.89 0.26 115.15 119.37 3hjb h HIS 221 Ca 0.20 -0.15 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 3hjb h HIS 221 Cb 0.15 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 3hjb h HIS 221 CO 0.00 0.80 0.23 1.15 0.86 0.00 0.00 177.93 180.97 3hjb h THR 222 N 0.52 1.20 -0.76 2.45 2.02 -1.03 -0.64 112.91 116.68 3hjb h THR 222 Ca 0.07 -0.59 -0.06 0.00 0.77 0.00 0.00 66.41 66.60 3hjb h THR 222 Cb 0.73 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 3hjb h THR 222 CO 0.06 0.23 0.24 0.00 0.37 0.00 0.00 175.52 176.41 3hjb h ALA 223 N 1.07 0.99 -0.61 6.16 0.00 -0.90 -1.95 119.26 124.03 3hjb h ALA 223 Ca 0.17 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hjb h ALA 223 Cb 0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hjb h ALA 223 CO -0.02 0.67 0.02 -0.09 0.00 0.00 0.00 179.25 179.83 3hjb h ARG 224 N 1.13 1.06 -0.39 0.00 2.43 -0.71 -0.23 114.38 117.67 3hjb h ARG 224 Ca 0.24 -0.33 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 3hjb h ARG 224 Cb 0.31 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.74 3hjb h ARG 224 CO -0.01 1.03 0.24 -0.44 -1.51 0.00 0.00 179.97 179.28 3hjb h ASP 225 N 0.96 0.47 -0.54 -3.80 3.32 -0.94 -0.02 116.42 115.88 3hjb h ASP 225 Ca 0.17 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3hjb h ASP 225 Cb 0.54 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3hjb h ASP 225 CO 0.03 0.38 0.31 -0.25 -1.72 0.00 0.00 179.24 177.99 3hjb h TRP 226 N 0.52 0.72 -0.18 4.55 7.01 -1.13 -1.40 115.95 126.03 3hjb h TRP 226 Ca 0.14 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.13 3hjb h TRP 226 Cb -0.00 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 26.81 3hjb h TRP 226 CO -0.04 0.51 0.09 0.35 -2.79 0.00 0.00 178.44 176.56 3hjb h PHE 227 N 0.72 0.25 0.00 2.65 3.57 -0.78 -2.97 116.94 120.39 3hjb h PHE 227 Ca 0.19 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 3hjb h PHE 227 Cb 0.01 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3hjb h PHE 227 CO -0.02 0.26 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.99 3hjb h LEU 228 N 0.18 0.00 -1.58 0.59 3.38 -0.83 0.41 115.31 117.45 3hjb h LEU 228 Ca 0.06 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hjb h LEU 228 Cb 0.10 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hjb h LEU 228 CO -0.01 0.26 0.29 0.11 0.09 0.00 0.00 178.44 179.18 3hjb h LYS 229 N 0.00 0.57 0.12 1.13 1.57 -1.08 0.11 116.57 118.98 3hjb h LYS 229 Ca -0.00 -0.03 -0.32 0.00 -1.87 0.00 0.00 60.65 58.42 3hjb h LYS 229 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3hjb h LYS 229 CO 0.03 0.38 -1.70 0.00 -0.57 0.00 0.00 179.45 177.59 3hjb h ALA 230 N 1.73 0.28 0.01 3.86 0.00 -1.37 -3.40 119.26 120.37 3hjb h ALA 230 Ca 0.16 -1.23 -0.26 0.00 0.00 0.00 0.00 54.91 53.58 3hjb h ALA 230 Cb -0.05 0.60 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 3hjb h ALA 230 CO -0.04 1.05 -1.39 0.00 0.00 0.00 0.00 179.25 178.87 3hjb h ALA 231 N -0.02 0.54 0.00 0.00 0.00 -0.88 -3.49 119.26 115.42 3hjb h ALA 231 Ca -0.37 -1.19 0.00 0.00 0.00 0.00 0.00 54.91 53.35 3hjb h ALA 231 Cb 1.88 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3hjb h ALA 231 CO 0.06 1.40 0.00 0.41 0.00 0.00 0.00 179.25 181.12 3hjb n GLY 232 N 1.48 2.27 3.68 0.00 0.00 0.36 -4.90 105.19 108.07 3hjb n GLY 232 Ca -0.10 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 3hjb n GLY 232 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hjb s ASP 233 N -0.91 6.96 0.58 1.61 -1.08 -1.26 -4.92 116.67 117.66 3hjb s ASP 233 Ca 0.00 1.84 0.28 0.00 -0.52 0.00 0.00 52.55 54.16 3hjb s ASP 233 Cb 0.00 -2.55 1.55 0.00 -1.46 0.00 0.00 42.92 40.46 3hjb s ASP 233 CO 0.00 -0.68 2.01 -0.33 0.52 0.00 0.00 175.17 176.69 3hjb h GLU 234 N 7.87 0.00 -0.32 4.34 5.08 -1.96 -1.48 114.58 128.11 3hjb h GLU 234 Ca -0.32 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 3hjb h GLU 234 Cb 1.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 3hjb h GLU 234 CO 0.92 0.00 0.26 0.00 -1.00 0.00 0.00 179.01 179.19 3hjb h ALA 235 N 1.66 2.17 0.00 3.43 0.00 -1.95 -1.55 119.26 123.02 3hjb h ALA 235 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hjb h ALA 235 Cb 0.79 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3hjb h ALA 235 CO -0.00 -0.43 0.00 0.45 0.00 0.00 0.00 179.25 179.27 3hjb h HIS 236 N 0.00 0.00 -0.92 0.00 3.86 -1.65 -3.15 115.15 113.29 3hjb h HIS 236 Ca 0.15 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.49 3hjb h HIS 236 Cb 0.67 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.07 3hjb h HIS 236 CO 0.00 0.00 0.59 0.28 0.86 0.00 0.00 177.93 179.66 3hjb h VAL 237 N 0.00 0.88 0.00 2.45 2.07 -1.46 -1.97 116.25 118.21 3hjb h VAL 237 Ca 0.00 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.24 3hjb h VAL 237 Cb 0.51 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3hjb h VAL 237 CO 0.00 0.15 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 3hjb h ALA 238 N 1.58 1.16 -0.01 1.67 0.00 -1.49 -0.60 119.26 121.56 3hjb h ALA 238 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 3hjb h ALA 238 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3hjb h ALA 238 CO -0.22 0.01 -0.31 1.63 0.00 0.00 0.00 179.25 180.37 3hjb n LYS 239 N -3.32 0.68 0.00 0.00 5.02 -0.74 -4.44 118.16 115.36 3hjb n LYS 239 Ca -0.03 -0.40 0.00 0.00 -2.02 0.00 0.00 58.31 55.86 3hjb n LYS 239 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 3hjb n LYS 239 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hjb n HIS 240 N -0.81 0.00 -4.11 2.13 8.25 -0.33 -4.74 115.22 115.61 3hjb n HIS 240 Ca 0.11 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.40 3hjb n HIS 240 Cb 0.35 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.30 3hjb n HIS 240 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hjb s PHE 241 N -0.01 0.49 0.20 4.41 0.08 -0.63 -0.26 117.98 122.27 3hjb s PHE 241 Ca 0.00 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 57.00 3hjb s PHE 241 Cb 0.00 -0.40 -0.05 0.00 -0.57 0.00 0.00 43.02 42.00 3hjb s PHE 241 CO 0.00 -0.07 -0.06 0.00 -0.10 0.00 0.00 175.22 174.98 3hjb s ALA 242 N 0.34 1.75 -0.02 5.36 0.00 -0.04 -4.66 121.76 124.50 3hjb s ALA 242 Ca -0.04 -1.66 0.05 0.00 0.00 0.00 0.00 51.96 50.31 3hjb s ALA 242 Cb -0.07 0.22 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 3hjb s ALA 242 CO -0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 175.76 175.47 3hjb s ALA 243 N -3.29 1.29 -0.52 0.00 0.00 -0.47 -0.93 121.76 117.84 3hjb s ALA 243 Ca 0.23 -0.65 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 3hjb s ALA 243 Cb 0.03 -0.34 0.14 0.00 0.00 0.00 0.00 23.12 22.95 3hjb s ALA 243 CO 0.06 0.30 0.34 -0.51 0.00 0.00 0.00 175.76 175.95 3hjb s LEU 244 N -0.29 5.38 0.13 0.00 1.43 -0.33 -0.70 118.68 124.29 3hjb s LEU 244 Ca 0.04 -2.36 -0.26 0.00 -1.03 0.00 0.00 54.13 50.53 3hjb s LEU 244 Cb -0.07 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.35 3hjb s LEU 244 CO -0.00 -0.50 1.03 -0.55 0.23 0.00 0.00 176.35 176.56 3hjb s SER 245 N 1.53 -0.13 0.00 2.29 0.15 -0.79 -1.49 113.70 115.27 3hjb s SER 245 Ca 0.12 -0.39 0.01 0.00 0.70 0.00 0.00 55.95 56.38 3hjb s SER 245 Cb -0.22 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 3hjb s SER 245 CO -0.04 -0.80 0.51 0.35 1.20 0.00 0.00 173.24 174.47 3hjb n THR 246 N -0.51 0.00 -2.94 6.45 -2.24 -0.95 -3.84 114.28 110.25 3hjb n THR 246 Ca -0.06 -0.50 -0.44 0.00 -2.27 0.00 0.00 64.05 60.78 3hjb n THR 246 Cb 0.61 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 3hjb n THR 246 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3hjb n ASN 247 N 0.02 5.32 -0.27 3.42 2.85 -1.23 -4.85 115.26 120.53 3hjb n ASN 247 Ca 0.00 -3.03 0.06 0.00 -0.11 0.00 0.00 54.58 51.51 3hjb n ASN 247 Cb 0.02 -1.51 0.29 0.00 1.24 0.00 0.00 39.78 39.81 3hjb n ASN 247 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3hjb h GLY 248 N 8.69 1.23 0.91 8.20 0.00 -1.94 -0.88 103.07 119.28 3hjb h GLY 248 Ca 0.30 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hjb h GLY 248 CO 1.26 0.25 -0.04 1.70 0.00 0.00 0.00 176.54 179.71 3hjb h LYS 249 N 0.91 -0.10 -0.37 4.80 3.64 -2.00 -1.02 116.57 122.44 3hjb h LYS 249 Ca 0.38 0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.67 3hjb h LYS 249 Cb 0.30 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 3hjb h LYS 249 CO -0.15 0.02 -0.17 0.00 -2.27 0.00 0.00 179.45 176.88 3hjb h ALA 250 N 0.72 1.01 -0.31 5.00 0.00 -1.86 -1.24 119.26 122.58 3hjb h ALA 250 Ca -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3hjb h ALA 250 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3hjb h ALA 250 CO 0.02 0.59 0.14 0.28 0.00 0.00 0.00 179.25 180.27 3hjb h VAL 251 N 0.61 1.17 -0.68 0.00 2.07 -1.04 -1.52 116.25 116.86 3hjb h VAL 251 Ca 0.10 -0.49 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 3hjb h VAL 251 Cb 0.63 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3hjb h VAL 251 CO 0.04 0.17 0.23 0.00 0.02 0.00 0.00 177.57 178.03 3hjb h ALA 252 N 0.99 0.89 -0.65 1.67 0.00 -1.07 -2.51 119.26 118.58 3hjb h ALA 252 Ca 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hjb h ALA 252 Cb 0.15 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3hjb h ALA 252 CO -0.01 0.55 0.43 1.49 0.00 0.00 0.00 179.25 181.71 3hjb h GLU 253 N 0.99 0.81 0.00 0.00 4.57 -0.98 -0.92 114.58 119.05 3hjb h GLU 253 Ca 0.22 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.31 3hjb h GLU 253 Cb 0.28 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 3hjb h GLU 253 CO -0.01 0.54 -0.21 0.35 -1.18 0.00 0.00 179.01 178.50 3hjb h PHE 254 N 0.83 0.00 0.00 0.92 3.57 -0.88 -3.46 116.94 117.92 3hjb h PHE 254 Ca 0.25 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.75 3hjb h PHE 254 Cb -0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.71 3hjb h PHE 254 CO -0.00 0.21 0.00 0.41 -2.23 0.00 0.00 178.31 176.70 3hjb n GLY 255 N -0.57 1.14 3.79 2.40 0.00 -0.35 -5.03 105.19 106.57 3hjb n GLY 255 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 3hjb n GLY 255 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hjb s ILE 256 N -2.00 4.42 -0.12 -0.61 1.01 -0.98 -3.06 121.20 119.86 3hjb s ILE 256 Ca 0.00 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 61.94 3hjb s ILE 256 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 3hjb s ILE 256 CO 0.00 0.40 1.16 -0.62 0.00 0.00 0.00 174.94 175.89 3hjb s ASP 257 N -1.33 7.06 0.26 3.58 3.68 -1.26 -4.05 116.67 124.61 3hjb s ASP 257 Ca 0.39 1.67 0.20 0.00 2.13 0.00 0.00 52.55 56.93 3hjb s ASP 257 Cb -0.21 -2.55 0.98 0.00 -1.45 0.00 0.00 42.92 39.69 3hjb s ASP 257 CO 0.24 -0.62 1.60 0.35 0.13 0.00 0.00 175.17 176.87 3hjb n THR 258 N 4.92 1.07 0.30 1.71 -2.24 -1.26 0.15 114.28 118.93 3hjb n THR 258 Ca 0.12 0.54 0.15 0.00 -2.27 0.00 0.00 64.05 62.59 3hjb n THR 258 Cb 0.46 -1.51 0.91 0.00 -2.10 0.00 0.00 70.33 68.10 3hjb n THR 258 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hjb h ASP 259 N 0.00 0.00 -0.76 3.42 3.32 -2.02 -1.77 116.42 118.61 3hjb h ASP 259 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3hjb h ASP 259 Cb 0.12 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.47 3hjb h ASP 259 CO 0.00 0.02 0.37 0.59 -1.72 0.00 0.00 179.24 178.50 3hjb n ASN 260 N -3.77 3.85 -4.49 6.45 5.03 0.12 -4.85 115.26 117.60 3hjb n ASN 260 Ca -0.03 -3.50 -0.36 0.00 0.87 0.00 0.00 54.58 51.56 3hjb n ASN 260 Cb 0.10 -0.76 -0.12 0.00 -1.02 0.00 0.00 39.78 37.98 3hjb n ASN 260 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3hjb s MET 261 N -3.18 3.72 -0.22 3.52 1.75 -0.67 -1.37 119.30 122.85 3hjb s MET 261 Ca 0.53 -0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 54.48 3hjb s MET 261 Cb 0.45 -3.27 -0.01 0.00 2.84 0.00 0.00 34.83 34.84 3hjb s MET 261 CO 0.10 -0.06 -0.02 -0.06 -0.65 0.00 0.00 175.02 174.33 3hjb s PHE 262 N 1.25 2.98 0.40 4.11 0.08 0.13 -4.95 117.98 121.98 3hjb s PHE 262 Ca 0.05 -0.82 -0.02 0.00 0.12 0.00 0.00 56.93 56.26 3hjb s PHE 262 Cb -0.15 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.15 3hjb s PHE 262 CO 0.03 -0.49 0.65 -1.83 -0.10 0.00 0.00 175.22 173.48 3hjb s GLU 263 N 1.46 3.52 0.35 0.44 -1.05 -1.25 -1.89 118.70 120.28 3hjb s GLU 263 Ca 0.05 -0.09 -0.02 0.00 -0.15 0.00 0.00 54.97 54.77 3hjb s GLU 263 Cb -0.14 -2.54 0.00 0.00 -0.44 0.00 0.00 34.13 31.01 3hjb s GLU 263 CO -0.02 -0.00 0.47 -0.59 0.95 0.00 0.00 175.26 176.07 3hjb s PHE 264 N -2.49 1.11 0.29 4.83 -0.12 -1.26 -4.38 117.98 115.95 3hjb s PHE 264 Ca 0.43 -1.32 0.07 0.00 -0.05 0.00 0.00 56.93 56.06 3hjb s PHE 264 Cb -0.10 -0.11 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 3hjb s PHE 264 CO 0.40 -1.14 -0.06 -1.58 -0.05 0.00 0.00 175.22 172.79 3hjb s TRP 265 N -3.02 2.01 0.55 3.49 0.51 -1.26 -4.87 118.94 116.35 3hjb s TRP 265 Ca 0.31 -0.69 0.35 0.00 -2.12 0.00 0.00 56.10 53.96 3hjb s TRP 265 Cb -0.00 -1.15 1.96 0.00 -0.81 0.00 0.00 33.47 33.46 3hjb s TRP 265 CO 0.21 0.31 2.25 -0.44 -0.51 0.00 0.00 176.95 178.76 3hjb h ASP 266 N 2.24 0.00 -0.09 2.95 3.32 -2.03 -1.23 116.42 121.58 3hjb h ASP 266 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3hjb h ASP 266 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3hjb h ASP 266 CO 0.68 0.02 0.00 -2.67 -1.72 0.00 0.00 179.24 175.55 3hjb n TRP 267 N -3.46 0.12 -3.54 4.55 4.27 -1.26 -4.56 117.44 113.56 3hjb n TRP 267 Ca -0.02 -0.06 -0.41 0.00 -3.89 0.00 0.00 57.50 53.11 3hjb n TRP 267 Cb 0.12 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 29.98 3hjb n TRP 267 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3hjb s VAL 268 N -1.88 4.53 0.43 -1.67 1.01 -0.47 -1.05 120.40 121.30 3hjb s VAL 268 Ca 0.27 -1.29 -0.23 0.00 0.00 0.00 0.00 61.98 60.74 3hjb s VAL 268 Cb 0.14 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.69 3hjb s VAL 268 CO 0.22 -0.52 1.10 -0.83 0.00 0.00 0.00 175.10 175.07 3hjb s GLY 269 N 2.24 2.74 0.25 4.51 0.00 -1.26 -4.85 107.32 110.95 3hjb s GLY 269 Ca 0.03 0.80 -0.03 0.00 0.00 0.00 0.00 44.72 45.52 3hjb s GLY 269 CO 0.04 1.23 1.75 -1.33 0.00 0.00 0.00 173.10 174.79 3hjb h GLY 270 N 2.23 1.25 0.81 0.20 0.00 -1.96 0.56 103.07 106.17 3hjb h GLY 270 Ca -0.49 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3hjb h GLY 270 CO 0.61 -0.05 0.00 -0.96 0.00 0.00 0.00 176.54 176.14 3hjb n ARG 271 N -4.92 0.83 -0.63 4.80 1.85 -1.26 -2.06 116.66 115.28 3hjb n ARG 271 Ca 0.15 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 57.06 3hjb n ARG 271 Cb 0.41 -1.41 0.11 0.00 -1.05 0.00 0.00 32.46 30.52 3hjb n ARG 271 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hjb n TYR 272 N -0.91 0.00 0.89 2.89 4.01 0.13 -4.72 117.16 119.45 3hjb n TYR 272 Ca 0.16 -0.85 0.10 0.00 -0.16 0.00 0.00 57.90 57.15 3hjb n TYR 272 Cb 0.07 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.94 3hjb n TYR 272 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hjb n SER 273 N -0.64 1.93 0.33 7.72 3.41 -0.86 -4.45 113.62 121.05 3hjb n SER 273 Ca 0.12 -1.46 0.21 0.00 -0.26 0.00 0.00 58.87 57.48 3hjb n SER 273 Cb 0.78 0.45 1.12 0.00 -0.26 0.00 0.00 64.21 66.29 3hjb n SER 273 CO 0.00 0.00 0.00 0.17 -0.16 0.00 0.00 175.04 175.05 3hjb h LEU 274 N 2.31 0.00 -0.04 1.04 8.10 -1.83 -1.12 115.31 123.78 3hjb h LEU 274 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 3hjb h LEU 274 Cb 0.69 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 3hjb h LEU 274 CO 0.00 0.00 0.00 0.79 -4.11 0.00 0.00 178.44 175.12 3hjb n TRP 275 N -3.14 0.33 -2.19 0.17 7.02 -1.26 -3.02 117.44 115.34 3hjb n TRP 275 Ca -0.02 0.10 0.00 0.00 -1.02 0.00 0.00 57.50 56.56 3hjb n TRP 275 Cb 0.11 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.34 3hjb n TRP 275 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hjb n SER 276 N -1.77 0.00 -0.17 -0.99 3.41 -0.42 -4.80 113.62 108.88 3hjb n SER 276 Ca 0.06 -0.25 0.29 0.00 -0.26 0.00 0.00 58.87 58.71 3hjb n SER 276 Cb 0.35 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.02 3hjb n SER 276 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb h ALA 277 N -0.67 2.79 -0.20 7.33 0.00 -1.81 0.11 119.26 126.81 3hjb h ALA 277 Ca 0.00 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 277 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3hjb h ALA 277 CO 0.00 -1.15 0.20 0.82 0.00 0.00 0.00 179.25 179.12 3hjb h ILE 278 N 0.00 0.55 0.00 0.00 1.08 -1.86 -0.99 117.51 116.29 3hjb h ILE 278 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.89 3hjb h ILE 278 Cb 1.80 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 3hjb h ILE 278 CO -0.00 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.07 3hjb n GLY 279 N -1.44 -0.94 0.37 5.37 0.00 0.37 -4.25 105.19 104.66 3hjb n GLY 279 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.08 3hjb n GLY 279 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hjb h LEU 280 N 0.00 0.85 -1.71 0.99 5.85 -1.35 0.95 115.31 120.89 3hjb h LEU 280 Ca 0.00 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hjb h LEU 280 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hjb h LEU 280 CO 0.00 0.45 -0.00 0.77 -0.34 0.00 0.00 178.44 179.32 3hjb h SER 281 N 0.91 0.16 -0.10 1.25 4.64 -1.85 0.11 113.55 118.66 3hjb h SER 281 Ca 0.47 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.76 3hjb h SER 281 Cb 0.54 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3hjb h SER 281 CO -0.24 0.20 0.00 0.40 -0.87 0.00 0.00 176.83 176.32 3hjb h ILE 282 N 0.18 1.25 -0.78 0.95 2.04 -1.14 -1.40 117.51 118.60 3hjb h ILE 282 Ca 0.04 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.15 3hjb h ILE 282 Cb 0.13 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.73 3hjb h ILE 282 CO 0.00 0.22 0.49 0.40 0.00 0.00 0.00 178.15 179.27 3hjb h ILE 283 N -0.09 1.09 -0.18 -0.67 2.04 -0.80 -0.11 117.51 118.78 3hjb h ILE 283 Ca 0.03 -0.32 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 3hjb h ILE 283 Cb 0.35 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3hjb h ILE 283 CO 0.00 0.17 -0.24 -0.07 0.00 0.00 0.00 178.15 178.02 3hjb h LEU 284 N 0.94 0.33 0.18 1.44 3.38 -0.69 0.22 115.31 121.11 3hjb h LEU 284 Ca 0.32 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.90 3hjb h LEU 284 Cb 0.06 -0.09 0.03 0.00 0.09 0.00 0.00 40.66 40.75 3hjb h LEU 284 CO -0.13 0.57 -1.28 -1.28 0.09 0.00 0.00 178.44 176.42 3hjb h SER 285 N 0.30 0.81 -0.00 -0.43 0.87 -0.34 -3.40 113.55 111.35 3hjb h SER 285 Ca 0.05 -0.88 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 3hjb h SER 285 Cb 0.59 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.29 3hjb h SER 285 CO 0.04 1.62 0.00 2.30 -0.53 0.00 0.00 176.83 180.26 3hjb n ILE 286 N -3.82 0.00 0.00 2.23 -5.35 -0.14 -1.10 119.36 111.18 3hjb n ILE 286 Ca -0.15 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 3hjb n ILE 286 Cb 1.01 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.95 3hjb n ILE 286 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hjb n GLY 287 N 0.10 -1.07 0.27 3.28 0.00 0.78 -4.32 105.19 104.23 3hjb n GLY 287 Ca 0.01 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 3hjb n GLY 287 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hjb h TYR 288 N 0.00 0.95 -0.79 1.61 3.20 -1.92 -2.18 116.97 117.84 3hjb h TYR 288 Ca 0.00 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.82 3hjb h TYR 288 Cb 0.00 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 37.94 3hjb h TYR 288 CO 0.00 0.78 0.50 -0.44 -1.64 0.00 0.00 178.16 177.36 3hjb h ASP 289 N 0.85 0.83 -0.04 -2.11 3.32 -1.95 0.36 116.42 117.68 3hjb h ASP 289 Ca 0.20 -0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.14 3hjb h ASP 289 Cb 0.25 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3hjb h ASP 289 CO -0.01 0.57 -0.31 0.78 -1.72 0.00 0.00 179.24 178.55 3hjb h ASN 290 N 0.98 0.51 -0.69 6.45 2.35 -1.71 -2.00 115.58 121.47 3hjb h ASN 290 Ca 0.32 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3hjb h ASN 290 Cb 0.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 3hjb h ASN 290 CO -0.12 0.80 0.22 0.15 -1.65 0.00 0.00 177.43 176.83 3hjb h PHE 291 N 0.43 1.12 -0.63 1.19 3.57 -0.62 -1.91 116.94 120.10 3hjb h PHE 291 Ca 0.05 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.41 3hjb h PHE 291 Cb 0.75 -0.33 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3hjb h PHE 291 CO 0.03 0.89 0.25 0.28 -2.23 0.00 0.00 178.31 177.52 3hjb h VAL 292 N 1.05 1.22 -0.87 1.41 2.07 -0.61 -0.89 116.25 119.64 3hjb h VAL 292 Ca 0.23 -0.71 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 3hjb h VAL 292 Cb 0.29 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3hjb h VAL 292 CO -0.01 0.28 0.44 -0.33 0.02 0.00 0.00 177.57 177.98 3hjb h GLU 293 N 0.91 1.23 0.02 1.57 4.39 -0.92 0.12 114.58 121.90 3hjb h GLU 293 Ca 0.21 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3hjb h GLU 293 Cb 0.19 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.60 3hjb h GLU 293 CO -0.02 0.92 -0.02 1.25 -1.16 0.00 0.00 179.01 179.98 3hjb h LEU 294 N 1.22 -0.05 -0.72 1.33 5.85 -0.80 -0.64 115.31 121.51 3hjb h LEU 294 Ca 0.30 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3hjb h LEU 294 Cb 0.08 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3hjb h LEU 294 CO -0.04 -0.03 0.46 -0.07 -0.34 0.00 0.00 178.44 178.41 3hjb h LEU 295 N -0.05 0.76 -0.94 2.25 3.38 -0.84 -2.11 115.31 117.77 3hjb h LEU 295 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3hjb h LEU 295 Cb 0.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3hjb h LEU 295 CO -0.00 0.53 0.31 0.00 0.09 0.00 0.00 178.44 179.37 3hjb h ALA 296 N 1.30 1.16 -0.53 1.53 0.00 -0.51 0.04 119.26 122.25 3hjb h ALA 296 Ca 0.28 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3hjb h ALA 296 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hjb h ALA 296 CO -0.10 0.61 0.12 0.78 0.00 0.00 0.00 179.25 180.67 3hjb h GLY 297 N 1.11 0.92 1.01 0.00 0.00 -0.81 -0.65 103.07 104.64 3hjb h GLY 297 Ca 0.25 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 3hjb h GLY 297 CO -0.02 0.54 0.32 0.00 0.00 0.00 0.00 176.54 177.38 3hjb h ALA 298 N 1.00 0.87 -0.83 3.60 0.00 -0.89 -2.56 119.26 120.46 3hjb h ALA 298 Ca 0.17 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 298 Cb 0.35 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3hjb h ALA 298 CO 0.00 0.43 0.55 1.25 0.00 0.00 0.00 179.25 181.48 3hjb h HIS 299 N 0.93 1.04 -0.09 0.00 6.17 -0.59 0.33 115.15 122.95 3hjb h HIS 299 Ca 0.23 0.02 -0.10 0.00 0.71 0.00 0.00 60.37 61.24 3hjb h HIS 299 Cb 0.12 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.69 3hjb h HIS 299 CO 0.00 0.66 -0.39 0.93 0.71 0.00 0.00 177.93 179.84 3hjb h GLU 300 N 1.12 0.18 -0.19 5.26 4.39 -0.94 -0.81 114.58 123.60 3hjb h GLU 300 Ca 0.30 -0.08 -0.17 0.00 0.34 0.00 0.00 59.36 59.75 3hjb h GLU 300 Cb -0.13 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 3hjb h GLU 300 CO -0.07 0.55 -0.58 1.98 -1.16 0.00 0.00 179.01 179.73 3hjb h MET 301 N 0.16 0.60 -0.45 2.33 4.05 -1.03 -1.85 114.93 118.74 3hjb h MET 301 Ca 0.02 -0.40 0.03 0.00 -0.28 0.00 0.00 59.70 59.07 3hjb h MET 301 Cb 0.76 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.58 3hjb h MET 301 CO 0.06 1.01 0.25 -0.44 0.23 0.00 0.00 176.91 178.02 3hjb h ASP 302 N 0.45 0.39 -0.74 1.39 3.32 -0.43 0.01 116.42 120.81 3hjb h ASP 302 Ca 0.00 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 3hjb h ASP 302 Cb 1.14 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.59 3hjb h ASP 302 CO 0.11 0.28 0.28 1.56 -1.72 0.00 0.00 179.24 179.75 3hjb h GLN 303 N 0.51 1.12 -0.35 3.56 1.08 -1.08 -1.37 115.11 118.58 3hjb h GLN 303 Ca 0.19 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3hjb h GLN 303 Cb 0.04 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 3hjb h GLN 303 CO -0.10 0.93 0.21 1.25 -0.95 0.00 0.00 178.83 180.17 3hjb h HIS 304 N 1.08 0.39 -0.63 2.96 -0.00 -0.98 -1.45 115.15 116.52 3hjb h HIS 304 Ca 0.25 0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.59 3hjb h HIS 304 Cb 0.24 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 3hjb h HIS 304 CO 0.02 0.23 0.26 0.35 -0.00 0.00 0.00 177.93 178.79 3hjb h PHE 305 N 0.43 0.96 -0.01 5.26 3.57 -0.53 -1.84 116.94 124.77 3hjb h PHE 305 Ca 0.14 -0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 3hjb h PHE 305 Cb -0.00 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 3hjb h PHE 305 CO -0.07 0.75 -0.81 0.28 -2.23 0.00 0.00 178.31 176.23 3hjb h VAL 306 N 0.88 1.47 0.00 1.41 2.07 -1.19 -3.37 116.25 117.53 3hjb h VAL 306 Ca 0.21 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.26 3hjb h VAL 306 Cb 0.20 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.32 3hjb h VAL 306 CO -0.02 0.72 -0.96 0.59 0.02 0.00 0.00 177.57 177.92 3hjb n ASN 307 N -3.71 0.87 -4.75 0.57 3.02 -0.56 -4.97 115.26 105.74 3hjb n ASN 307 Ca -0.03 -0.89 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 3hjb n ASN 307 Cb 0.76 1.06 -0.07 0.00 -0.61 0.00 0.00 39.78 40.92 3hjb n ASN 307 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hjb s THR 308 N -2.83 5.34 0.59 3.41 2.01 -0.70 -5.06 115.64 118.41 3hjb s THR 308 Ca 0.06 0.42 -0.19 0.00 0.31 0.00 0.00 61.69 62.29 3hjb s THR 308 Cb 0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.05 3hjb s THR 308 CO 0.78 0.44 1.07 -2.65 -0.69 0.00 0.00 174.62 173.57 3hjb n PRO 309 N 3.29 1.06 -0.31 4.92 -0.02 -1.26 -4.64 135.00 138.04 3hjb n PRO 309 Ca -0.14 0.41 0.14 0.00 -2.02 0.00 0.00 63.50 61.88 3hjb n PRO 309 Cb 0.52 -2.27 0.37 0.00 -0.02 0.00 0.00 33.50 32.10 3hjb n PRO 309 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 3hjb h PHE 310 N 0.68 0.88 0.00 6.00 0.04 -1.97 -1.39 116.94 121.18 3hjb h PHE 310 Ca -0.49 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3hjb h PHE 310 Cb 1.35 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.23 3hjb h PHE 310 CO 0.39 0.26 0.00 0.93 -0.60 0.00 0.00 178.31 179.29 3hjb h GLU 311 N 0.69 0.00 0.00 1.51 3.07 -1.99 -2.09 114.58 115.76 3hjb h GLU 311 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 3hjb h GLU 311 Cb 0.88 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.79 3hjb h GLU 311 CO -0.27 0.00 -0.00 0.43 -1.40 0.00 0.00 179.01 177.77 3hjb n SER 312 N -2.57 1.60 -4.51 1.42 7.64 -0.57 -5.02 113.62 111.60 3hjb n SER 312 Ca -0.01 -1.83 -0.43 0.00 1.01 0.00 0.00 58.87 57.61 3hjb n SER 312 Cb 0.11 -0.01 -0.07 0.00 -1.01 0.00 0.00 64.21 63.23 3hjb n SER 312 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 3hjb s ASN 313 N -0.85 6.30 0.10 6.43 3.84 -0.79 -4.93 114.94 125.04 3hjb s ASN 313 Ca 0.01 -0.40 -0.25 0.00 0.21 0.00 0.00 52.86 52.42 3hjb s ASN 313 Cb 0.01 -2.30 -0.11 0.00 -0.55 0.00 0.00 41.25 38.29 3hjb s ASN 313 CO 0.00 -0.74 1.68 0.40 -2.79 0.00 0.00 177.10 175.65 3hjb h ILE 314 N 5.85 0.66 -0.57 -5.21 2.04 -1.92 -0.62 117.51 117.74 3hjb h ILE 314 Ca -0.26 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.62 3hjb h ILE 314 Cb 1.10 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3hjb h ILE 314 CO 0.87 0.00 0.38 -0.65 0.00 0.00 0.00 178.15 178.75 3hjb h PRO 315 N -0.31 0.70 -0.23 2.37 0.11 -1.94 -0.74 132.00 131.97 3hjb h PRO 315 Ca 0.01 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 3hjb h PRO 315 Cb 0.31 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 3hjb h PRO 315 CO -0.06 0.46 -0.06 0.28 -0.21 0.00 0.00 178.00 178.41 3hjb h VAL 316 N 0.72 1.29 -0.11 3.15 2.07 -1.73 -1.13 116.25 120.50 3hjb h VAL 316 Ca 0.22 -1.07 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3hjb h VAL 316 Cb -0.01 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3hjb h VAL 316 CO -0.05 0.33 0.06 0.40 0.02 0.00 0.00 177.57 178.32 3hjb h ILE 317 N 0.17 1.00 -0.75 4.57 2.04 -0.69 -0.60 117.51 123.25 3hjb h ILE 317 Ca 0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.86 3hjb h ILE 317 Cb 0.52 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 3hjb h ILE 317 CO 0.02 0.02 0.42 -0.07 0.00 0.00 0.00 178.15 178.54 3hjb h LEU 318 N 0.12 0.94 -0.41 1.44 3.38 -1.12 -1.61 115.31 118.05 3hjb h LEU 318 Ca 0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hjb h LEU 318 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3hjb h LEU 318 CO -0.03 0.76 0.26 0.00 0.09 0.00 0.00 178.44 179.52 3hjb h ALA 319 N 1.22 0.52 -0.41 1.53 0.00 -0.91 -1.46 119.26 119.74 3hjb h ALA 319 Ca 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3hjb h ALA 319 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hjb h ALA 319 CO -0.04 -0.01 0.01 -0.07 0.00 0.00 0.00 179.25 179.14 3hjb h LEU 320 N 0.55 0.70 -0.90 0.00 3.38 -0.80 -0.82 115.31 117.42 3hjb h LEU 320 Ca 0.15 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hjb h LEU 320 Cb -0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 3hjb h LEU 320 CO -0.03 0.83 0.56 0.40 0.09 0.00 0.00 178.44 180.29 3hjb h ILE 321 N 0.56 1.24 -0.84 1.22 2.04 -1.24 -0.83 117.51 119.65 3hjb h ILE 321 Ca 0.12 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3hjb h ILE 321 Cb 0.46 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.46 3hjb h ILE 321 CO 0.02 0.25 0.53 1.23 0.00 0.00 0.00 178.15 180.17 3hjb h GLY 322 N 1.23 1.21 1.05 5.37 0.00 -0.96 -2.33 103.07 108.65 3hjb h GLY 322 Ca 0.32 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.13 3hjb h GLY 322 CO -0.06 0.47 0.37 -2.22 0.00 0.00 0.00 176.54 175.10 3hjb h ILE 323 N 1.15 1.26 -0.52 2.60 2.04 -0.54 -0.27 117.51 123.24 3hjb h ILE 323 Ca 0.31 -0.78 0.06 0.00 1.00 0.00 0.00 64.86 65.45 3hjb h ILE 323 Cb -0.08 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.18 3hjb h ILE 323 CO -0.06 0.33 0.23 -0.25 0.00 0.00 0.00 178.15 178.40 3hjb h TRP 324 N 1.19 0.42 -0.14 1.37 -0.00 -0.66 0.12 115.95 118.25 3hjb h TRP 324 Ca 0.28 0.02 -0.21 0.00 -0.00 0.00 0.00 58.89 58.98 3hjb h TRP 324 Cb 0.16 -0.11 0.01 0.00 -0.00 0.00 0.00 29.16 29.22 3hjb h TRP 324 CO 0.02 0.18 -0.74 1.88 -0.00 0.00 0.00 178.44 179.78 3hjb h TYR 325 N 0.45 1.02 -0.36 2.65 0.05 -1.12 -1.85 116.97 117.80 3hjb h TYR 325 Ca 0.24 -0.45 -0.15 0.00 0.05 0.00 0.00 58.73 58.42 3hjb h TYR 325 Cb 0.20 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 3hjb h TYR 325 CO -0.13 1.28 -0.36 -0.97 -1.05 0.00 0.00 178.16 176.93 3hjb h ASN 326 N 0.47 0.94 0.00 3.88 -1.24 -0.77 -0.14 115.58 118.71 3hjb h ASN 326 Ca -0.05 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.49 3hjb h ASN 326 Cb 1.37 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.16 3hjb h ASN 326 CO 0.15 1.21 -1.53 0.59 -1.29 0.00 0.00 177.43 176.56 3hjb n ASN 327 N -4.12 1.08 -0.05 1.15 4.13 0.39 -3.80 115.26 114.05 3hjb n ASN 327 Ca -0.03 -0.21 -0.10 0.00 1.68 0.00 0.00 54.58 55.93 3hjb n ASN 327 Cb 0.53 1.59 -0.04 0.00 -1.54 0.00 0.00 39.78 40.32 3hjb n ASN 327 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3hjb n PHE 328 N -1.92 0.00 0.73 3.10 3.72 -0.78 -4.66 117.46 117.65 3hjb n PHE 328 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3hjb n PHE 328 Cb 0.39 -0.35 0.46 0.00 -0.94 0.00 0.00 39.48 39.05 3hjb n PHE 328 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3hjb n HIS 329 N -3.34 0.67 -1.30 1.38 8.25 -0.77 -4.95 115.22 115.17 3hjb n HIS 329 Ca -0.19 0.20 -0.06 0.00 -0.26 0.00 0.00 57.72 57.40 3hjb n HIS 329 Cb 0.64 -0.82 -0.02 0.00 1.12 0.00 0.00 29.99 30.91 3hjb n HIS 329 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hjb n GLY 330 N 1.34 0.78 3.71 -1.41 0.00 -0.22 -4.98 105.19 104.42 3hjb n GLY 330 Ca 0.06 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 3hjb n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hjb s ALA 331 N -2.25 3.36 -0.51 4.61 0.00 -0.32 -4.94 121.76 121.71 3hjb s ALA 331 Ca 0.00 0.80 0.24 0.00 0.00 0.00 0.00 51.96 53.00 3hjb s ALA 331 Cb 0.00 -3.43 0.36 0.00 0.00 0.00 0.00 23.12 20.05 3hjb s ALA 331 CO 0.00 -0.40 1.43 0.93 0.00 0.00 0.00 175.76 177.72 3hjb h GLU 332 N 6.79 0.00 -4.95 0.00 5.08 -1.89 -3.38 114.58 116.23 3hjb h GLU 332 Ca -0.42 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.59 3hjb h GLU 332 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.32 3hjb h GLU 332 CO 0.80 0.00 -0.63 -1.54 -1.00 0.00 0.00 179.01 176.64 3hjb s SER 333 N -5.10 1.46 -0.03 1.42 1.04 -1.26 -1.00 113.70 110.23 3hjb s SER 333 Ca 0.06 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.19 3hjb s SER 333 Cb 0.10 0.09 0.02 0.00 0.10 0.00 0.00 66.02 66.33 3hjb s SER 333 CO 0.70 -0.64 -0.02 -1.61 0.98 0.00 0.00 173.24 172.65 3hjb s GLU 334 N -3.96 0.43 -0.13 4.02 2.02 0.21 -4.17 118.70 117.13 3hjb s GLU 334 Ca 0.33 -0.01 -0.07 0.00 0.02 0.00 0.00 54.97 55.24 3hjb s GLU 334 Cb 0.07 -0.53 -0.04 0.00 0.10 0.00 0.00 34.13 33.73 3hjb s GLU 334 CO 0.11 -0.08 0.12 0.00 0.02 0.00 0.00 175.26 175.43 3hjb s ALA 335 N 0.77 3.75 -0.22 5.21 0.00 -0.51 -2.20 121.76 128.56 3hjb s ALA 335 Ca -0.08 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3hjb s ALA 335 Cb -0.12 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.10 3hjb s ALA 335 CO -0.01 0.54 -0.08 0.42 0.00 0.00 0.00 175.76 176.63 3hjb s ILE 336 N -0.79 2.89 -0.57 0.00 1.01 -0.15 -0.77 121.20 122.82 3hjb s ILE 336 Ca 0.13 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3hjb s ILE 336 Cb -0.12 -2.36 0.16 0.00 0.01 0.00 0.00 42.46 40.15 3hjb s ILE 336 CO 0.03 0.35 0.41 -0.76 0.00 0.00 0.00 174.94 174.97 3hjb s LEU 337 N 1.37 3.43 0.04 2.97 1.43 0.26 -3.95 118.68 124.24 3hjb s LEU 337 Ca 0.03 -3.43 -0.30 0.00 -1.03 0.00 0.00 54.13 49.40 3hjb s LEU 337 Cb -0.15 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3hjb s LEU 337 CO -0.06 -0.14 1.04 -2.84 0.23 0.00 0.00 176.35 174.58 3hjb s PRO 338 N -0.71 4.55 -1.29 1.29 0.02 -1.26 -2.23 135.00 135.37 3hjb s PRO 338 Ca 0.26 1.53 -0.09 0.00 0.02 0.00 0.00 61.00 62.72 3hjb s PRO 338 Cb -0.05 -3.41 0.16 0.00 0.02 0.00 0.00 34.50 31.23 3hjb s PRO 338 CO -0.15 -0.05 1.93 0.66 -0.33 0.00 0.00 177.00 179.06 3hjb n TYR 339 N 3.62 2.89 -3.21 6.54 4.02 0.13 -0.83 117.16 130.32 3hjb n TYR 339 Ca 0.06 -2.79 0.04 0.00 -0.01 0.00 0.00 57.90 55.20 3hjb n TYR 339 Cb 0.49 -1.94 -0.02 0.00 -0.02 0.00 0.00 39.34 37.85 3hjb n TYR 339 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hjb s ASP 340 N 0.82 -0.71 0.36 7.72 2.15 -1.24 -4.59 116.67 121.18 3hjb s ASP 340 Ca 0.41 0.56 0.03 0.00 0.43 0.00 0.00 52.55 53.98 3hjb s ASP 340 Cb 0.11 1.64 0.66 0.00 -0.30 0.00 0.00 42.92 45.03 3hjb s ASP 340 CO -0.01 -0.13 1.99 -0.61 -0.17 0.00 0.00 175.17 176.24 3hjb h GLN 341 N 7.89 0.73 -0.16 4.34 5.75 -1.85 -1.97 115.11 129.83 3hjb h GLN 341 Ca -0.16 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3hjb h GLN 341 Cb 1.16 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.55 3hjb h GLN 341 CO 0.03 0.53 0.10 1.88 -2.65 0.00 0.00 178.83 178.71 3hjb h TYR 342 N 0.74 0.20 -0.20 3.99 0.05 -1.90 -1.97 116.97 117.88 3hjb h TYR 342 Ca 0.19 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.91 3hjb h TYR 342 Cb 0.00 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 3hjb h TYR 342 CO 0.00 0.13 0.08 1.28 -1.05 0.00 0.00 178.16 178.61 3hjb n LEU 343 N -4.51 3.06 0.27 3.88 4.77 -0.74 -2.75 117.00 120.98 3hjb n LEU 343 Ca -0.01 -1.57 0.18 0.00 -0.03 0.00 0.00 56.01 54.59 3hjb n LEU 343 Cb 0.08 -0.57 0.94 0.00 -2.33 0.00 0.00 43.42 41.55 3hjb n LEU 343 CO 0.35 0.49 1.04 1.12 -1.33 0.00 0.00 177.39 179.06 3hjb h HIS 344 N 0.63 0.00 -0.44 -1.77 2.07 -1.46 -1.76 115.15 112.43 3hjb h HIS 344 Ca 0.08 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.60 3hjb h HIS 344 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3hjb h HIS 344 CO 0.34 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.74 3hjb n ARG 345 N -2.76 2.69 -0.02 5.12 5.12 -1.26 -4.67 116.66 120.87 3hjb n ARG 345 Ca -0.02 -2.18 -0.12 0.00 -1.93 0.00 0.00 57.85 53.60 3hjb n ARG 345 Cb 0.08 -1.36 -0.08 0.00 -1.16 0.00 0.00 32.46 29.94 3hjb n ARG 345 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3hjb h PHE 346 N 2.77 0.15 -0.62 -1.55 3.57 -1.65 -1.73 116.94 117.87 3hjb h PHE 346 Ca 0.00 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 3hjb h PHE 346 Cb 0.80 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 3hjb h PHE 346 CO 0.29 0.43 0.38 0.00 -2.23 0.00 0.00 178.31 177.18 3hjb h ALA 347 N 0.70 0.79 -0.93 2.41 0.00 -1.83 -2.36 119.26 118.05 3hjb h ALA 347 Ca 0.02 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hjb h ALA 347 Cb 0.38 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 347 CO 0.01 0.27 0.61 0.00 0.00 0.00 0.00 179.25 180.13 3hjb h ALA 348 N 1.19 1.46 -0.60 0.00 0.00 -1.83 -1.28 119.26 118.21 3hjb h ALA 348 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hjb h ALA 348 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3hjb h ALA 348 CO -0.04 0.42 0.37 -0.92 0.00 0.00 0.00 179.25 179.08 3hjb h TYR 349 N 1.10 0.77 0.00 0.00 3.20 -0.80 -2.46 116.97 118.77 3hjb h TYR 349 Ca 0.39 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.27 3hjb h TYR 349 Cb 0.13 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.15 3hjb h TYR 349 CO -0.00 0.51 0.00 1.19 -1.64 0.00 0.00 178.16 178.22 3hjb n PHE 350 N -4.64 0.78 -0.14 -3.82 3.01 -0.76 -1.86 117.46 110.02 3hjb n PHE 350 Ca 0.04 0.26 -0.06 0.00 1.01 0.00 0.00 57.45 58.70 3hjb n PHE 350 Cb 0.04 -0.92 0.03 0.00 -0.01 0.00 0.00 39.48 38.62 3hjb n PHE 350 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3hjb h GLN 351 N 0.00 0.48 0.16 -1.08 4.20 -0.76 0.13 115.11 118.23 3hjb h GLN 351 Ca 0.00 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3hjb h GLN 351 Cb 0.54 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3hjb h GLN 351 CO 0.00 0.31 -0.08 0.37 -0.67 0.00 0.00 178.83 178.77 3hjb h GLN 352 N 0.49 -0.21 -0.87 1.46 4.15 -1.48 -1.52 115.11 117.12 3hjb h GLN 352 Ca 0.19 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.73 3hjb h GLN 352 Cb 0.06 0.05 -0.08 0.00 0.21 0.00 0.00 27.48 27.72 3hjb h GLN 352 CO -0.11 0.22 0.51 0.78 -1.93 0.00 0.00 178.83 178.30 3hjb h GLY 353 N -0.84 1.39 0.00 2.39 0.00 -1.30 -0.71 103.07 103.99 3hjb h GLY 353 Ca -0.02 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3hjb h GLY 353 CO 0.04 0.12 -0.36 -0.57 0.00 0.00 0.00 176.54 175.76 3hjb h ASN 354 N 0.82 0.00 -0.24 0.19 -0.73 -0.86 -3.31 115.58 111.45 3hjb h ASN 354 Ca 0.43 -0.20 -0.13 0.00 1.87 0.00 0.00 56.30 58.27 3hjb h ASN 354 Cb 0.44 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.01 3hjb h ASN 354 CO -0.27 0.80 -0.32 0.24 -0.37 0.00 0.00 177.43 177.51 3hjb h MET 355 N -1.00 0.75 0.00 6.67 0.00 -1.26 0.32 114.93 120.41 3hjb h MET 355 Ca -0.05 -0.35 -0.09 0.00 0.00 0.00 0.00 59.70 59.21 3hjb h MET 355 Cb 0.50 -0.01 -0.01 0.00 0.00 0.00 0.00 31.60 32.08 3hjb h MET 355 CO -0.03 0.97 -0.45 1.49 0.00 0.00 0.00 176.91 178.89 3hjb h GLU 356 N 0.63 0.00 0.05 1.72 4.81 -1.19 -0.75 114.58 119.86 3hjb h GLU 356 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hjb h GLU 356 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3hjb h GLU 356 CO 0.07 0.45 -0.03 0.77 -0.73 0.00 0.00 179.01 179.55 3hjb h SER 357 N 0.00 -0.06 -0.31 1.04 0.02 -1.51 -3.40 113.55 109.33 3hjb h SER 357 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 3hjb h SER 357 Cb 0.95 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3hjb h SER 357 CO 0.06 0.62 0.00 0.59 -1.14 0.00 0.00 176.83 176.96 3hjb n ASN 358 N -4.79 2.89 -4.30 3.07 3.02 0.05 -4.21 115.26 110.99 3hjb n ASN 358 Ca -0.08 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.17 3hjb n ASN 358 Cb 0.32 -0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3hjb n ASN 358 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 359 N 0.87 3.40 3.04 7.41 0.00 -0.29 -0.98 105.19 118.65 3hjb n GLY 359 Ca 0.13 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.33 3hjb n GLY 359 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 360 N 2.90 0.48 -0.00 1.61 -0.14 -1.26 -4.96 119.74 118.37 3hjb s LYS 360 Ca 0.48 -0.73 0.00 0.00 -1.36 0.00 0.00 55.97 54.36 3hjb s LYS 360 Cb 0.05 -0.21 0.00 0.00 -1.68 0.00 0.00 37.83 35.99 3hjb s LYS 360 CO 0.02 0.03 0.78 2.48 -0.76 0.00 0.00 175.35 177.89 3hjb n TYR 361 N 1.49 0.00 -4.93 3.18 -0.00 -1.26 -4.70 117.16 110.94 3hjb n TYR 361 Ca -0.23 -0.28 -0.28 0.00 -0.00 0.00 0.00 57.90 57.11 3hjb n TYR 361 Cb 0.55 -0.03 -0.17 0.00 -0.00 0.00 0.00 39.34 39.69 3hjb n TYR 361 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3hjb s VAL 362 N -0.56 1.61 0.88 -3.48 1.01 -1.26 -1.22 120.40 117.37 3hjb s VAL 362 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 3hjb s VAL 362 Cb 0.00 -1.41 0.14 0.00 0.00 0.00 0.00 36.38 35.11 3hjb s VAL 362 CO 0.00 0.46 1.23 1.51 0.00 0.00 0.00 175.10 178.30 3hjb s ASP 363 N 0.38 3.80 0.47 3.32 1.47 0.69 -4.55 116.67 122.26 3hjb s ASP 363 Ca -0.14 0.44 0.32 0.00 1.18 0.00 0.00 52.55 54.35 3hjb s ASP 363 Cb -0.16 -0.70 1.53 0.00 -0.34 0.00 0.00 42.92 43.24 3hjb s ASP 363 CO 0.06 -2.31 1.96 0.03 0.68 0.00 0.00 175.17 175.59 3hjb h ARG 364 N -1.30 0.00 -0.13 2.11 3.08 -1.05 0.11 114.38 117.19 3hjb h ARG 364 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 3hjb h ARG 364 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3hjb h ARG 364 CO 0.50 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.49 3hjb n ASN 365 N -2.74 1.86 0.00 7.04 3.02 -1.26 -4.92 115.26 118.26 3hjb n ASN 365 Ca -0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 54.58 52.86 3hjb n ASN 365 Cb 0.18 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 3hjb n ASN 365 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hjb n GLY 366 N 1.19 0.59 3.72 7.41 0.00 0.03 -5.06 105.19 113.07 3hjb n GLY 366 Ca 0.17 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3hjb n GLY 366 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hjb s ASN 367 N -2.36 5.60 0.32 1.61 0.01 -1.25 -4.82 114.94 114.04 3hjb s ASN 367 Ca 0.00 0.21 -0.29 0.00 -0.71 0.00 0.00 52.86 52.07 3hjb s ASN 367 Cb 0.00 -1.73 -0.11 0.00 0.41 0.00 0.00 41.25 39.82 3hjb s ASN 367 CO 0.00 0.35 1.57 -2.16 -1.51 0.00 0.00 177.10 175.34 3hjb s PRO 368 N -0.67 4.12 0.67 -0.60 0.04 -1.26 -0.22 135.00 137.07 3hjb s PRO 368 Ca 0.11 2.58 -0.14 0.00 0.04 0.00 0.00 61.00 63.59 3hjb s PRO 368 Cb -0.12 -3.01 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3hjb s PRO 368 CO 0.02 -0.61 1.10 0.14 0.04 0.00 0.00 177.00 177.70 3hjb s VAL 369 N -0.31 3.31 -0.16 -0.36 -7.23 -0.36 -4.81 120.40 110.48 3hjb s VAL 369 Ca 0.60 0.59 0.15 0.00 -1.81 0.00 0.00 61.98 61.51 3hjb s VAL 369 Cb -0.47 -3.11 0.34 0.00 0.56 0.00 0.00 36.38 33.70 3hjb s VAL 369 CO 0.52 -0.40 1.18 0.35 -0.31 0.00 0.00 175.10 176.44 3hjb n THR 370 N -2.52 1.96 -3.90 5.32 -2.24 -1.26 -5.01 114.28 106.64 3hjb n THR 370 Ca 0.10 -2.62 -0.09 0.00 -2.27 0.00 0.00 64.05 59.17 3hjb n THR 370 Cb 0.52 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 3hjb n THR 370 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3hjb s TYR 371 N -2.93 0.22 0.25 4.78 -0.85 -1.26 -5.14 117.35 112.42 3hjb s TYR 371 Ca 0.34 -0.58 -0.30 0.00 -0.52 0.00 0.00 57.07 56.01 3hjb s TYR 371 Cb 0.31 0.15 -0.09 0.00 0.38 0.00 0.00 41.96 42.71 3hjb s TYR 371 CO -0.01 -0.85 1.12 -0.65 -1.52 0.00 0.00 175.55 173.63 3hjb s GLN 372 N -3.95 4.61 0.00 -3.49 -1.52 -1.26 -5.05 119.66 108.99 3hjb s GLN 372 Ca 0.16 1.81 0.00 0.00 -1.95 0.00 0.00 55.36 55.37 3hjb s GLN 372 Cb 0.01 -3.21 0.00 0.00 -0.22 0.00 0.00 33.01 29.59 3hjb s GLN 372 CO 0.01 0.14 0.00 0.25 -0.25 0.00 0.00 175.29 175.44 3hjb n THR 373 N 1.59 0.00 -1.67 -0.19 -2.24 -1.26 -4.88 114.28 105.63 3hjb n THR 373 Ca 0.00 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.38 3hjb n THR 373 Cb 0.45 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.70 3hjb n THR 373 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjb n GLY 374 N 5.00 0.23 3.93 3.38 0.00 -0.15 -5.00 105.19 112.58 3hjb n GLY 374 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3hjb n GLY 374 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hjb s PRO 375 N -2.30 2.44 -0.09 1.61 0.04 -1.26 -4.81 135.00 130.63 3hjb s PRO 375 Ca 0.65 -0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.12 3hjb s PRO 375 Cb -0.50 -2.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.76 3hjb s PRO 375 CO 0.55 -1.00 0.92 0.42 0.04 0.00 0.00 177.00 177.93 3hjb s ILE 376 N -3.09 4.86 -0.14 0.56 1.01 -0.17 -4.69 121.20 119.54 3hjb s ILE 376 Ca 0.58 1.88 -0.07 0.00 0.00 0.00 0.00 60.65 63.04 3hjb s ILE 376 Cb -0.11 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 38.08 3hjb s ILE 376 CO 0.44 0.07 0.10 -0.63 0.00 0.00 0.00 174.94 174.92 3hjb s ILE 377 N 1.68 5.18 0.33 2.92 -1.09 -1.26 -0.62 121.20 128.35 3hjb s ILE 377 Ca 0.45 0.09 -0.16 0.00 -2.23 0.00 0.00 60.65 58.81 3hjb s ILE 377 Cb -0.18 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.45 3hjb s ILE 377 CO 0.19 0.56 0.71 -1.66 -1.23 0.00 0.00 174.94 173.50 3hjb s TRP 378 N -0.50 0.12 0.00 3.97 1.48 -0.94 -4.77 118.94 118.30 3hjb s TRP 378 Ca 0.11 -0.65 0.00 0.00 -1.06 0.00 0.00 56.10 54.50 3hjb s TRP 378 Cb -0.12 0.65 0.00 0.00 -1.16 0.00 0.00 33.47 32.85 3hjb s TRP 378 CO 0.02 -1.37 0.00 0.41 -4.06 0.00 0.00 176.95 171.95 3hjb n GLY 379 N -0.50 3.34 3.01 3.67 0.00 -1.26 -0.97 105.19 112.48 3hjb n GLY 379 Ca -0.05 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 3hjb n GLY 379 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hjb s GLU 380 N -2.30 0.39 0.53 1.61 0.41 -1.25 -4.83 118.70 113.25 3hjb s GLU 380 Ca 0.00 -0.74 -0.22 0.00 -0.41 0.00 0.00 54.97 53.60 3hjb s GLU 380 Cb 0.00 0.09 -0.05 0.00 -1.78 0.00 0.00 34.13 32.38 3hjb s GLU 380 CO 0.00 -0.05 1.28 -1.25 -0.49 0.00 0.00 175.26 174.75 3hjb s PRO 381 N -1.93 3.30 0.39 0.39 0.04 -1.26 -4.35 135.00 131.58 3hjb s PRO 381 Ca -0.11 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 3hjb s PRO 381 Cb -0.07 -2.26 -0.11 0.00 0.04 0.00 0.00 34.50 32.11 3hjb s PRO 381 CO -0.02 -1.00 0.93 0.20 0.04 0.00 0.00 177.00 177.14 3hjb s GLY 382 N -1.16 2.48 0.00 0.56 0.00 -0.01 -1.22 107.32 107.97 3hjb s GLY 382 Ca 0.70 0.39 0.22 0.00 0.00 0.00 0.00 44.72 46.03 3hjb s GLY 382 CO 0.42 0.70 1.71 -1.30 0.00 0.00 0.00 173.10 174.64 3hjb n THR 383 N -0.33 0.08 -0.23 0.90 -2.24 -1.26 -3.63 114.28 107.57 3hjb n THR 383 Ca 0.05 -0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3hjb n THR 383 Cb 0.53 0.04 0.06 0.00 -2.10 0.00 0.00 70.33 68.87 3hjb n THR 383 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3hjb h ASN 384 N 1.16 0.67 0.06 3.42 2.35 -1.61 -2.16 115.58 119.47 3hjb h ASN 384 Ca 0.00 -0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.59 3hjb h ASN 384 Cb 0.25 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3hjb h ASN 384 CO 0.00 0.47 -0.55 1.23 -1.65 0.00 0.00 177.43 176.94 3hjb h GLY 385 N 0.81 0.57 0.42 2.83 0.00 -1.36 -3.11 103.07 103.22 3hjb h GLY 385 Ca 0.25 -0.66 0.13 0.00 0.00 0.00 0.00 47.33 47.06 3hjb h GLY 385 CO -0.09 0.59 0.61 -1.61 0.00 0.00 0.00 176.54 176.04 3hjb h GLN 386 N 0.40 0.91 -0.17 4.80 4.15 -1.65 -0.77 115.11 122.78 3hjb h GLN 386 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 3hjb h GLN 386 Cb 1.08 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.57 3hjb h GLN 386 CO 0.10 0.61 0.00 0.72 -1.93 0.00 0.00 178.83 178.33 3hjb n HIS 387 N -4.65 0.22 -0.05 3.99 8.25 -0.90 -3.82 115.22 118.25 3hjb n HIS 387 Ca 0.19 -0.11 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 3hjb n HIS 387 Cb 0.38 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.47 3hjb n HIS 387 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hjb n ALA 388 N 0.37 1.44 -0.28 -1.41 0.00 -0.39 -4.94 120.51 115.30 3hjb n ALA 388 Ca 0.16 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.01 3hjb n ALA 388 Cb 0.34 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.88 3hjb n ALA 388 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3hjb n PHE 389 N -4.18 0.00 0.29 0.00 1.16 -0.63 -4.72 117.46 109.37 3hjb n PHE 389 Ca -0.10 -0.06 0.16 0.00 -1.87 0.00 0.00 57.45 55.58 3hjb n PHE 389 Cb 0.37 -0.01 0.86 0.00 -1.61 0.00 0.00 39.48 39.10 3hjb n PHE 389 CO 0.00 0.00 0.00 1.88 -1.87 0.00 0.00 176.76 176.77 3hjb h TYR 390 N 0.00 0.00 -0.72 2.97 -1.99 -1.66 -1.97 116.97 113.60 3hjb h TYR 390 Ca 0.00 0.00 0.16 0.00 2.00 0.00 0.00 58.73 60.89 3hjb h TYR 390 Cb 0.22 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.83 3hjb h TYR 390 CO 0.00 0.06 0.05 0.37 -0.00 0.00 0.00 178.16 178.64 3hjb h GLN 391 N 0.00 0.14 -0.13 4.88 5.75 -1.84 0.44 115.11 124.35 3hjb h GLN 391 Ca -0.00 -0.01 -0.15 0.00 -0.15 0.00 0.00 58.65 58.34 3hjb h GLN 391 Cb 0.24 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3hjb h GLN 391 CO 0.01 0.09 -0.55 1.25 -2.65 0.00 0.00 178.83 176.99 3hjb h LEU 392 N 0.15 0.43 -0.46 -2.39 6.46 -1.72 0.40 115.31 118.19 3hjb h LEU 392 Ca 0.40 -0.23 -0.06 0.00 -0.12 0.00 0.00 57.88 57.87 3hjb h LEU 392 Cb 0.69 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 3hjb h LEU 392 CO -0.60 0.89 0.06 0.40 -0.62 0.00 0.00 178.44 178.58 3hjb h ILE 393 N 0.30 1.25 -0.00 4.05 2.04 -1.21 0.52 117.51 124.46 3hjb h ILE 393 Ca 0.01 -0.93 -0.25 0.00 1.00 0.00 0.00 64.86 64.68 3hjb h ILE 393 Cb 1.05 0.96 0.02 0.00 -0.74 0.00 0.00 36.82 38.10 3hjb h ILE 393 CO 0.09 0.33 -1.01 0.45 0.00 0.00 0.00 178.15 178.01 3hjb h HIS 394 N 0.64 0.91 0.00 1.37 3.86 -0.87 -3.40 115.15 117.65 3hjb h HIS 394 Ca 0.14 -0.49 0.00 0.00 -1.16 0.00 0.00 60.37 58.85 3hjb h HIS 394 Cb 0.40 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.77 3hjb h HIS 394 CO 0.03 1.33 -0.21 1.04 0.86 0.00 0.00 177.93 180.98 3hjb n GLN 395 N -3.82 0.74 -0.13 2.45 6.02 0.12 -4.63 117.38 118.14 3hjb n GLN 395 Ca -0.10 -1.46 0.00 0.00 -0.01 0.00 0.00 57.00 55.44 3hjb n GLN 395 Cb 0.87 -0.86 0.00 0.00 1.02 0.00 0.00 30.24 31.27 3hjb n GLN 395 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hjb n GLY 396 N -0.49 0.43 0.28 1.08 0.00 0.17 -4.93 105.19 101.72 3hjb n GLY 396 Ca 0.05 -1.84 0.05 0.00 0.00 0.00 0.00 46.02 44.28 3hjb n GLY 396 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hjb n THR 397 N -0.43 1.38 -4.79 2.61 -2.24 -1.26 -5.00 114.28 104.55 3hjb n THR 397 Ca 0.00 -1.41 -0.32 0.00 -2.27 0.00 0.00 64.05 60.04 3hjb n THR 397 Cb 0.00 0.23 -0.13 0.00 -2.10 0.00 0.00 70.33 68.33 3hjb n THR 397 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hjb s LYS 398 N -1.68 2.47 -0.19 -0.78 3.01 -1.26 -5.10 119.74 116.20 3hjb s LYS 398 Ca 0.18 -0.73 -0.22 0.00 -1.01 0.00 0.00 55.97 54.20 3hjb s LYS 398 Cb 0.14 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.55 3hjb s LYS 398 CO 0.05 0.61 0.68 -1.17 0.51 0.00 0.00 175.35 176.03 3hjb s LEU 399 N -0.92 4.15 -0.40 3.17 2.96 -1.26 -4.92 118.68 121.46 3hjb s LEU 399 Ca 0.13 0.92 0.01 0.00 -0.22 0.00 0.00 54.13 54.97 3hjb s LEU 399 Cb -0.11 -2.97 0.14 0.00 0.50 0.00 0.00 46.19 43.74 3hjb s LEU 399 CO 0.02 -0.30 0.22 -0.63 -1.32 0.00 0.00 176.35 174.34 3hjb s ILE 400 N 1.94 0.91 0.32 6.68 1.01 -1.26 -4.57 121.20 126.24 3hjb s ILE 400 Ca 0.31 -2.19 -0.29 0.00 0.00 0.00 0.00 60.65 58.48 3hjb s ILE 400 Cb -0.16 -1.65 -0.12 0.00 0.01 0.00 0.00 42.46 40.54 3hjb s ILE 400 CO 0.11 -0.92 1.36 -2.65 0.00 0.00 0.00 174.94 172.84 3hjb n PRO 401 N 3.78 2.24 -4.81 2.79 -0.02 -1.26 -4.78 135.00 132.94 3hjb n PRO 401 Ca 0.09 0.79 -0.25 0.00 -2.02 0.00 0.00 63.50 62.11 3hjb n PRO 401 Cb 0.36 -2.42 -0.16 0.00 -0.02 0.00 0.00 33.50 31.26 3hjb n PRO 401 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hjb s ASP 403 N -0.17 5.75 -0.17 0.00 1.11 0.05 -1.07 116.67 122.16 3hjb s ASP 403 Ca 0.01 -1.00 -0.17 0.00 0.18 0.00 0.00 52.55 51.57 3hjb s ASP 403 Cb -0.09 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.83 3hjb s ASP 403 CO 0.01 -0.39 0.46 -0.36 1.18 0.00 0.00 175.17 176.06 3hjb s PHE 404 N 1.56 3.42 -0.04 4.23 0.40 -0.07 -0.57 117.98 126.90 3hjb s PHE 404 Ca 0.02 0.75 0.04 0.00 -0.60 0.00 0.00 56.93 57.14 3hjb s PHE 404 Cb -0.19 -2.57 -0.00 0.00 0.51 0.00 0.00 43.02 40.76 3hjb s PHE 404 CO 0.07 0.03 -0.16 0.42 0.70 0.00 0.00 175.22 176.28 3hjb s ILE 405 N 1.16 1.31 -0.05 0.64 1.01 -0.95 -0.26 121.20 124.07 3hjb s ILE 405 Ca 0.23 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 3hjb s ILE 405 Cb -0.15 -1.13 0.06 0.00 0.01 0.00 0.00 42.46 41.25 3hjb s ILE 405 CO 0.09 0.38 0.59 0.00 0.00 0.00 0.00 174.94 176.00 3hjb s ALA 406 N 0.02 -1.53 0.10 9.38 0.00 -0.47 0.18 121.76 129.44 3hjb s ALA 406 Ca -0.03 1.11 -0.13 0.00 0.00 0.00 0.00 51.96 52.92 3hjb s ALA 406 Cb -0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 23.12 22.92 3hjb s ALA 406 CO 0.02 -0.34 0.48 -1.25 0.00 0.00 0.00 175.76 174.66 3hjb s PRO 407 N -1.15 3.90 0.32 0.00 0.04 -1.26 -1.17 135.00 135.67 3hjb s PRO 407 Ca -0.11 0.37 0.12 0.00 0.04 0.00 0.00 61.00 61.42 3hjb s PRO 407 Cb -0.01 -2.99 0.53 0.00 0.04 0.00 0.00 34.50 32.06 3hjb s PRO 407 CO 0.08 0.54 1.71 0.00 0.04 0.00 0.00 177.00 179.36 3hjb h ALA 408 N 3.75 1.14 -3.20 8.56 0.00 -0.20 -3.43 119.26 125.89 3hjb h ALA 408 Ca -0.49 -0.46 -0.62 0.00 0.00 0.00 0.00 54.91 53.34 3hjb h ALA 408 Cb 1.20 -0.08 -0.35 0.00 0.00 0.00 0.00 17.79 18.56 3hjb h ALA 408 CO 0.66 0.63 -0.85 0.08 0.00 0.00 0.00 179.25 179.77 3hjb s VAL 409 N -3.84 1.71 0.54 0.00 1.01 -0.48 -5.04 120.40 114.30 3hjb s VAL 409 Ca -0.02 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 61.04 3hjb s VAL 409 Cb 0.13 -1.55 -0.07 0.00 0.00 0.00 0.00 36.38 34.89 3hjb s VAL 409 CO 0.74 0.48 1.01 -0.55 0.00 0.00 0.00 175.10 176.79 3hjb s SER 410 N 1.09 6.33 0.00 3.32 0.15 -1.26 -4.59 113.70 118.74 3hjb s SER 410 Ca -0.03 1.68 0.29 0.00 0.70 0.00 0.00 55.95 58.59 3hjb s SER 410 Cb -0.14 -2.52 1.23 0.00 -1.71 0.00 0.00 66.02 62.88 3hjb s SER 410 CO -0.05 -0.79 1.91 1.41 1.20 0.00 0.00 173.24 176.93 3hjb n HIS 411 N -1.65 0.00 -4.61 3.44 8.25 -1.26 -4.75 115.22 114.64 3hjb n HIS 411 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.24 3hjb n HIS 411 Cb 0.53 -0.44 -0.17 0.00 1.12 0.00 0.00 29.99 31.04 3hjb n HIS 411 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hjb s ASN 412 N -2.92 2.66 -0.50 0.41 0.01 -1.26 -5.08 114.94 108.27 3hjb s ASN 412 Ca 0.16 -0.48 -0.19 0.00 -0.71 0.00 0.00 52.86 51.64 3hjb s ASN 412 Cb 0.19 -1.21 0.06 0.00 0.41 0.00 0.00 41.25 40.70 3hjb s ASN 412 CO 0.53 0.05 0.61 -0.22 -1.51 0.00 0.00 177.10 176.56 3hjb s LEU 413 N 0.85 4.96 -0.34 0.60 0.20 -1.26 -4.97 118.68 118.72 3hjb s LEU 413 Ca -0.09 -0.89 -0.01 0.00 0.69 0.00 0.00 54.13 53.84 3hjb s LEU 413 Cb -0.15 -2.45 0.12 0.00 -0.43 0.00 0.00 46.19 43.28 3hjb s LEU 413 CO -0.00 -0.87 0.18 -0.69 -0.29 0.00 0.00 176.35 174.68 3hjb s VAL 414 N 2.59 0.29 0.00 1.68 1.01 -1.26 -5.11 120.40 119.60 3hjb s VAL 414 Ca 0.15 -1.49 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3hjb s VAL 414 Cb -0.19 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 34.96 3hjb s VAL 414 CO 0.12 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.96 3hjb n GLY 415 N 4.43 2.64 1.58 4.51 0.00 -1.26 -1.79 105.19 115.30 3hjb n GLY 415 Ca 0.05 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.13 3hjb n GLY 415 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hjb n ASP 416 N 1.41 5.10 -0.26 1.61 5.68 -1.26 -4.67 116.55 124.16 3hjb n ASP 416 Ca 0.00 -2.87 0.02 0.00 -0.50 0.00 0.00 54.79 51.44 3hjb n ASP 416 Cb 0.00 -0.63 0.15 0.00 -1.14 0.00 0.00 41.12 39.50 3hjb n ASP 416 CO 0.00 0.00 0.00 0.45 -1.33 0.00 0.00 177.20 176.32 3hjb h HIS 417 N 3.43 0.71 -0.34 2.11 3.86 -1.78 -2.15 115.15 120.98 3hjb h HIS 417 Ca 0.00 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.11 3hjb h HIS 417 Cb 1.75 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 30.01 3hjb h HIS 417 CO 0.89 0.26 -0.32 1.25 0.86 0.00 0.00 177.93 180.87 3hjb h HIS 418 N 0.66 0.86 -0.72 2.45 -0.00 -1.83 0.12 115.15 116.69 3hjb h HIS 418 Ca 0.37 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.45 3hjb h HIS 418 Cb 0.38 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 3hjb h HIS 418 CO -0.09 0.96 0.21 1.96 -0.00 0.00 0.00 177.93 180.97 3hjb h GLN 419 N 0.62 1.12 -0.30 5.26 4.20 -1.84 0.57 115.11 124.74 3hjb h GLN 419 Ca 0.07 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.52 3hjb h GLN 419 Cb 0.84 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3hjb h GLN 419 CO 0.07 0.96 0.12 0.87 -0.67 0.00 0.00 178.83 180.18 3hjb h LYS 420 N 1.07 0.46 -0.20 1.46 1.57 -1.05 0.21 116.57 120.09 3hjb h LYS 420 Ca 0.23 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3hjb h LYS 420 Cb 0.32 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 3hjb h LYS 420 CO -0.01 0.47 -0.04 1.25 -0.57 0.00 0.00 179.45 180.56 3hjb h LEU 421 N 0.34 -0.16 -1.12 2.94 5.85 -0.71 -2.70 115.31 119.75 3hjb h LEU 421 Ca 0.10 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3hjb h LEU 421 Cb 0.19 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hjb h LEU 421 CO -0.01 -0.05 -0.28 0.24 -0.34 0.00 0.00 178.44 178.00 3hjb h MET 422 N 0.01 0.27 -0.71 1.25 2.86 -0.73 -2.10 114.93 115.79 3hjb h MET 422 Ca 0.10 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 3hjb h MET 422 Cb 0.14 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 3hjb h MET 422 CO -0.19 0.53 0.47 0.66 1.06 0.00 0.00 176.91 179.43 3hjb h SER 423 N 0.24 0.68 -0.16 1.22 4.64 -0.63 -1.14 113.55 118.39 3hjb h SER 423 Ca 0.04 -0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.20 3hjb h SER 423 Cb 0.63 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hjb h SER 423 CO 0.05 0.45 -0.51 0.78 -0.87 0.00 0.00 176.83 176.73 3hjb h ASN 424 N 0.78 0.73 -0.43 4.97 2.35 -1.21 -1.63 115.58 121.13 3hjb h ASN 424 Ca 0.30 -0.60 0.07 0.00 -0.55 0.00 0.00 56.30 55.52 3hjb h ASN 424 Cb 0.18 -0.21 -0.06 0.00 0.05 0.00 0.00 38.32 38.28 3hjb h ASN 424 CO -0.09 1.20 0.08 0.15 -1.65 0.00 0.00 177.43 177.11 3hjb h PHE 425 N 0.30 0.12 -0.17 1.19 3.57 -0.77 -0.71 116.94 120.47 3hjb h PHE 425 Ca -0.02 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 3hjb h PHE 425 Cb 1.13 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.89 3hjb h PHE 425 CO 0.10 -0.01 -0.46 0.74 -2.23 0.00 0.00 178.31 176.45 3hjb h PHE 426 N 0.20 0.79 -0.47 0.41 0.04 -1.27 -3.33 116.94 113.32 3hjb h PHE 426 Ca 0.21 -0.31 -0.09 0.00 2.80 0.00 0.00 57.97 60.58 3hjb h PHE 426 Cb 0.27 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3hjb h PHE 426 CO -0.22 1.08 -0.09 0.00 -0.60 0.00 0.00 178.31 178.48 3hjb h ALA 427 N 0.56 0.97 -0.61 2.45 0.00 -1.07 -2.87 119.26 118.70 3hjb h ALA 427 Ca -0.01 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3hjb h ALA 427 Cb 1.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3hjb h ALA 427 CO 0.10 0.61 0.14 1.96 0.00 0.00 0.00 179.25 182.06 3hjb h GLN 428 N 0.76 0.98 -0.21 0.00 1.08 -1.23 0.51 115.11 116.99 3hjb h GLN 428 Ca 0.13 -0.24 -0.14 0.00 -1.45 0.00 0.00 58.65 56.95 3hjb h GLN 428 Cb 0.58 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 3hjb h GLN 428 CO 0.04 0.90 -0.48 1.79 -0.95 0.00 0.00 178.83 180.13 3hjb h THR 429 N 0.89 1.31 -0.28 -0.54 1.35 -1.65 -0.41 112.91 113.58 3hjb h THR 429 Ca 0.19 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 3hjb h THR 429 Cb 0.36 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.44 3hjb h THR 429 CO 0.00 0.53 0.18 -0.08 -0.25 0.00 0.00 175.52 175.89 3hjb h GLU 430 N 0.43 0.37 -0.19 4.72 4.81 -1.26 -1.21 114.58 122.24 3hjb h GLU 430 Ca 0.02 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3hjb h GLU 430 Cb 0.99 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 3hjb h GLU 430 CO 0.09 0.26 0.09 0.00 -0.73 0.00 0.00 179.01 178.73 3hjb h ALA 431 N 1.08 0.25 -0.88 2.92 0.00 -0.71 -1.71 119.26 120.21 3hjb h ALA 431 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 431 Cb -0.02 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hjb h ALA 431 CO -0.02 -0.20 0.56 -0.07 0.00 0.00 0.00 179.25 179.52 3hjb h LEU 432 N 0.18 1.03 -0.05 0.00 3.38 -0.95 -0.42 115.31 118.49 3hjb h LEU 432 Ca 0.07 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3hjb h LEU 432 Cb 0.11 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3hjb h LEU 432 CO -0.01 0.77 -0.15 0.00 0.09 0.00 0.00 178.44 179.14 3hjb h ALA 433 N 1.31 0.08 0.00 1.53 0.00 -1.06 -1.37 119.26 119.75 3hjb h ALA 433 Ca 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hjb h ALA 433 Cb -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hjb h ALA 433 CO -0.07 0.00 -1.66 1.19 0.00 0.00 0.00 179.25 178.71 3hjb n PHE 434 N -4.61 0.00 -4.91 0.00 3.72 -0.66 -0.93 117.46 110.07 3hjb n PHE 434 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3hjb n PHE 434 Cb 0.39 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3hjb n PHE 434 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hjb n GLY 435 N 1.50 0.82 3.49 1.37 0.00 -0.17 -4.66 105.19 107.55 3hjb n GLY 435 Ca -0.02 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.18 3hjb n GLY 435 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hjb s LYS 436 N 0.00 0.51 0.75 1.61 2.20 -0.13 -4.94 119.74 119.75 3hjb s LYS 436 Ca 0.00 1.19 -0.12 0.00 -0.36 0.00 0.00 55.97 56.68 3hjb s LYS 436 Cb 0.00 0.42 0.04 0.00 -1.51 0.00 0.00 37.83 36.78 3hjb s LYS 436 CO 0.00 -0.19 1.10 -1.54 -0.36 0.00 0.00 175.35 174.36 3hjb s SER 437 N 2.28 4.96 0.28 1.43 1.04 -1.26 -1.41 113.70 121.02 3hjb s SER 437 Ca -0.06 1.17 -0.02 0.00 0.48 0.00 0.00 55.95 57.52 3hjb s SER 437 Cb -0.10 -1.91 0.44 0.00 0.10 0.00 0.00 66.02 64.55 3hjb s SER 437 CO -0.17 -1.66 1.92 0.00 0.98 0.00 0.00 173.24 174.32 3hjb h ALA 438 N -0.87 1.43 -0.54 5.32 0.00 -1.94 -1.58 119.26 121.07 3hjb h ALA 438 Ca -0.46 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.44 3hjb h ALA 438 Cb 1.27 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hjb h ALA 438 CO 0.62 0.47 0.32 1.96 0.00 0.00 0.00 179.25 182.61 3hjb h GLN 439 N 1.14 0.60 -0.53 0.00 4.20 -1.99 0.40 115.11 118.94 3hjb h GLN 439 Ca 0.38 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.95 3hjb h GLN 439 Cb 0.07 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.69 3hjb h GLN 439 CO -0.12 0.40 -0.05 0.00 -0.67 0.00 0.00 178.83 178.38 3hjb h ALA 440 N 1.25 0.72 -0.44 3.87 0.00 -1.80 -2.22 119.26 120.65 3hjb h ALA 440 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3hjb h ALA 440 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3hjb h ALA 440 CO -0.11 0.58 0.07 0.28 0.00 0.00 0.00 179.25 180.07 3hjb h VAL 441 N 0.83 1.24 -0.58 0.00 2.07 -1.00 -2.13 116.25 116.68 3hjb h VAL 441 Ca 0.14 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3hjb h VAL 441 Cb 0.60 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3hjb h VAL 441 CO 0.04 0.31 0.36 -0.61 0.02 0.00 0.00 177.57 177.68 3hjb h GLN 442 N 0.58 0.69 -0.46 1.57 4.15 -0.81 -0.89 115.11 119.94 3hjb h GLN 442 Ca 0.13 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.51 3hjb h GLN 442 Cb 0.37 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3hjb h GLN 442 CO 0.01 0.46 0.30 0.00 -1.93 0.00 0.00 178.83 177.66 3hjb h ALA 443 N 1.25 0.59 -0.30 3.38 0.00 -1.25 -0.44 119.26 122.49 3hjb h ALA 443 Ca 0.23 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hjb h ALA 443 Cb 0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hjb h ALA 443 CO -0.09 0.05 0.17 0.93 0.00 0.00 0.00 179.25 180.31 3hjb h GLU 444 N 0.62 0.35 -0.49 0.00 5.08 -0.82 -2.13 114.58 117.19 3hjb h GLU 444 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 3hjb h GLU 444 Cb -0.05 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 3hjb h GLU 444 CO -0.03 0.23 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.11 3hjb h LEU 445 N 0.36 0.80 -0.92 1.33 3.38 -0.92 -2.02 115.31 117.31 3hjb h LEU 445 Ca 0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hjb h LEU 445 Cb 0.00 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hjb h LEU 445 CO -0.06 0.88 0.43 -0.33 0.09 0.00 0.00 178.44 179.45 3hjb h GLU 446 N 0.77 1.20 0.00 1.13 5.08 -0.87 -2.33 114.58 119.56 3hjb h GLU 446 Ca 0.14 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3hjb h GLU 446 Cb 0.49 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3hjb h GLU 446 CO 0.02 0.90 -0.45 0.87 -1.00 0.00 0.00 179.01 179.36 3hjb h LYS 447 N 1.19 0.00 0.00 2.33 1.79 -0.98 -2.43 116.57 118.47 3hjb h LYS 447 Ca 0.29 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 3hjb h LYS 447 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3hjb h LYS 447 CO -0.04 0.45 0.00 0.00 -1.08 0.00 0.00 179.45 178.78 3hjb n ALA 448 N -2.39 2.62 -0.92 3.86 0.00 -0.80 -4.90 120.51 117.98 3hjb n ALA 448 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3hjb n ALA 448 Cb 0.50 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.49 3hjb n ALA 448 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjb n GLY 449 N 0.88 0.48 3.77 0.00 0.00 -0.92 -5.03 105.19 104.36 3hjb n GLY 449 Ca 0.21 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 3hjb n GLY 449 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hjb s LYS 450 N -1.08 3.60 0.76 1.61 -0.14 -0.96 -5.01 119.74 118.52 3hjb s LYS 450 Ca 0.00 1.80 -0.11 0.00 -1.36 0.00 0.00 55.97 56.30 3hjb s LYS 450 Cb 0.00 -2.31 0.05 0.00 -1.68 0.00 0.00 37.83 33.88 3hjb s LYS 450 CO 0.00 -0.69 1.08 -1.54 -0.76 0.00 0.00 175.35 173.44 3hjb s SER 451 N -1.39 4.76 0.24 2.83 1.04 -1.26 -4.76 113.70 115.17 3hjb s SER 451 Ca 0.66 1.58 -0.05 0.00 0.48 0.00 0.00 55.95 58.62 3hjb s SER 451 Cb -0.29 -2.36 0.35 0.00 0.10 0.00 0.00 66.02 63.82 3hjb s SER 451 CO 0.35 -1.84 1.84 0.00 0.98 0.00 0.00 173.24 174.57 3hjb h ALA 452 N -0.99 1.19 -0.44 5.32 0.00 -1.99 -0.46 119.26 121.89 3hjb h ALA 452 Ca -0.45 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 3hjb h ALA 452 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hjb h ALA 452 CO 0.56 0.23 -0.12 0.00 0.00 0.00 0.00 179.25 179.92 3hjb h ALA 453 N 1.42 0.61 -0.80 0.00 0.00 -1.99 -0.86 119.26 117.64 3hjb h ALA 453 Ca 0.38 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hjb h ALA 453 Cb 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3hjb h ALA 453 CO -0.19 0.51 0.53 0.93 0.00 0.00 0.00 179.25 181.03 3hjb h GLU 454 N 0.69 1.05 -0.02 0.00 5.08 -1.79 -1.35 114.58 118.25 3hjb h GLU 454 Ca 0.11 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3hjb h GLU 454 Cb 0.67 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hjb h GLU 454 CO 0.05 0.70 0.00 0.82 -1.00 0.00 0.00 179.01 179.57 3hjb h ILE 455 N 1.08 1.21 -0.77 3.13 2.04 -0.90 -2.20 117.51 121.11 3hjb h ILE 455 Ca 0.29 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.56 3hjb h ILE 455 Cb -0.13 1.61 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3hjb h ILE 455 CO -0.06 0.17 0.51 0.00 0.00 0.00 0.00 178.15 178.76 3hjb h ALA 456 N 0.74 1.57 -0.02 1.87 0.00 -0.98 -0.27 119.26 122.16 3hjb h ALA 456 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hjb h ALA 456 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hjb h ALA 456 CO 0.00 0.34 -0.54 0.00 0.00 0.00 0.00 179.25 179.05 3hjb h ALA 457 N 1.56 1.06 0.00 0.00 0.00 -1.08 -3.36 119.26 117.44 3hjb h ALA 457 Ca 0.32 -0.49 -0.37 0.00 0.00 0.00 0.00 54.91 54.36 3hjb h ALA 457 Cb 0.10 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 3hjb h ALA 457 CO -0.10 0.68 -2.34 -0.11 0.00 0.00 0.00 179.25 177.38 3hjb n LEU 458 N -3.90 0.60 -0.24 0.00 7.94 -0.84 -4.66 117.00 115.89 3hjb n LEU 458 Ca -0.02 0.01 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 3hjb n LEU 458 Cb 0.56 0.22 0.09 0.00 0.53 0.00 0.00 43.42 44.81 3hjb n LEU 458 CO 0.42 0.57 0.73 0.58 -1.11 0.00 0.00 177.39 178.58 3hjb h VAL 459 N 0.00 0.30 0.00 1.96 2.07 -1.22 -1.32 116.25 118.04 3hjb h VAL 459 Ca -0.53 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hjb h VAL 459 Cb 2.17 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3hjb h VAL 459 CO 0.02 0.00 -0.01 1.55 0.02 0.00 0.00 177.57 179.15 3hjb h PRO 460 N 0.01 0.00 0.00 1.57 0.13 -1.83 -1.40 132.00 130.48 3hjb h PRO 460 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 3hjb h PRO 460 Cb 0.54 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3hjb h PRO 460 CO -0.72 0.01 0.00 0.74 -0.23 0.00 0.00 178.00 177.79 3hjb h PHE 461 N 0.00 0.00 -0.03 1.56 0.04 -1.55 -3.13 116.94 113.84 3hjb h PHE 461 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hjb h PHE 461 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 3hjb h PHE 461 CO 0.00 0.00 -0.06 1.63 -0.60 0.00 0.00 178.31 179.28 3hjb n LYS 462 N -3.02 2.10 -2.76 1.51 5.02 -0.54 -4.95 118.16 115.52 3hjb n LYS 462 Ca 0.02 -1.70 -0.40 0.00 -2.02 0.00 0.00 58.31 54.22 3hjb n LYS 462 Cb 0.40 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 33.89 3hjb n LYS 462 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hjb s VAL 463 N -2.07 4.08 -0.26 -0.18 1.01 -1.13 -4.95 120.40 116.90 3hjb s VAL 463 Ca 0.28 2.07 -0.01 0.00 0.00 0.00 0.00 61.98 64.32 3hjb s VAL 463 Cb 0.20 -4.32 0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hjb s VAL 463 CO 0.34 0.50 -0.06 -0.36 0.00 0.00 0.00 175.10 175.51 3hjb s PHE 464 N -1.18 3.13 0.20 5.22 0.08 -0.50 -4.96 117.98 119.97 3hjb s PHE 464 Ca 0.41 -1.75 0.25 0.00 0.12 0.00 0.00 56.93 55.96 3hjb s PHE 464 Cb -0.26 -2.04 1.07 0.00 -0.57 0.00 0.00 43.02 41.22 3hjb s PHE 464 CO 0.32 -0.78 1.89 0.93 -0.10 0.00 0.00 175.22 177.49 3hjb h GLU 465 N 7.97 0.00 0.00 0.44 5.08 -1.82 -0.33 114.58 125.92 3hjb h GLU 465 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 3hjb h GLU 465 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3hjb h GLU 465 CO 0.55 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.16 3hjb n GLY 466 N -0.05 -0.00 2.41 -3.84 0.00 -1.26 -4.72 105.19 97.73 3hjb n GLY 466 Ca -0.00 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3hjb n GLY 466 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hjb n ASN 467 N -1.30 -5.36 -4.49 1.61 3.02 -0.10 -4.94 115.26 103.70 3hjb n ASN 467 Ca 0.00 0.13 -0.43 0.00 -0.03 0.00 0.00 54.58 54.25 3hjb n ASN 467 Cb 0.00 -4.44 -0.09 0.00 -0.61 0.00 0.00 39.78 34.64 3hjb n ASN 467 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hjb s ARG 468 N -4.53 3.11 0.37 3.52 3.00 -0.54 -5.00 118.95 118.89 3hjb s ARG 468 Ca 0.00 -0.73 -0.21 0.00 0.00 0.00 0.00 55.73 54.79 3hjb s ARG 468 Cb 0.00 -3.96 -0.10 0.00 0.00 0.00 0.00 34.95 30.88 3hjb s ARG 468 CO 0.00 -0.85 0.89 -1.25 0.00 0.00 0.00 175.30 174.09 3hjb s PRO 469 N 2.16 4.26 0.04 3.54 0.04 -1.26 -3.51 135.00 140.27 3hjb s PRO 469 Ca 0.13 1.05 -0.08 0.00 0.04 0.00 0.00 61.00 62.14 3hjb s PRO 469 Cb -0.17 -2.40 -0.00 0.00 0.04 0.00 0.00 34.50 31.96 3hjb s PRO 469 CO 0.14 0.10 0.15 0.95 0.04 0.00 0.00 177.00 178.38 3hjb s THR 470 N -1.98 0.12 -0.01 1.26 -4.23 -0.56 -2.75 115.64 107.49 3hjb s THR 470 Ca 0.57 -1.01 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 3hjb s THR 470 Cb -0.12 -0.94 -0.04 0.00 1.34 0.00 0.00 72.50 72.75 3hjb s THR 470 CO 0.17 -0.55 0.01 0.20 -0.54 0.00 0.00 174.62 173.90 3hjb s ASN 471 N -2.16 5.21 -0.16 3.99 0.01 -0.23 -4.00 114.94 117.60 3hjb s ASN 471 Ca -0.04 0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.15 3hjb s ASN 471 Cb -0.01 -1.39 0.01 0.00 0.41 0.00 0.00 41.25 40.27 3hjb s ASN 471 CO -0.05 0.29 -0.20 -0.44 -1.51 0.00 0.00 177.10 175.19 3hjb s SER 472 N -1.51 3.18 -0.28 -1.22 0.01 -0.38 -0.89 113.70 112.60 3hjb s SER 472 Ca 0.19 -0.61 -0.04 0.00 1.31 0.00 0.00 55.95 56.80 3hjb s SER 472 Cb -0.12 -1.48 0.03 0.00 0.21 0.00 0.00 66.02 64.67 3hjb s SER 472 CO 0.10 0.04 0.01 -0.63 0.41 0.00 0.00 173.24 173.17 3hjb s ILE 473 N 1.06 3.29 -0.21 1.44 1.01 0.65 -0.52 121.20 127.92 3hjb s ILE 473 Ca -0.01 -1.05 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 3hjb s ILE 473 Cb -0.14 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3hjb s ILE 473 CO -0.07 0.04 -0.03 -0.22 0.00 0.00 0.00 174.94 174.66 3hjb s LEU 474 N 1.36 3.02 0.15 2.97 2.96 -0.11 -1.37 118.68 127.66 3hjb s LEU 474 Ca -0.01 -0.32 0.08 0.00 -0.22 0.00 0.00 54.13 53.67 3hjb s LEU 474 Cb -0.18 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 3hjb s LEU 474 CO -0.01 0.03 -0.11 0.68 -1.32 0.00 0.00 176.35 175.61 3hjb s VAL 475 N 1.22 3.16 0.11 1.68 -7.23 -0.32 -0.61 120.40 118.41 3hjb s VAL 475 Ca 0.03 -1.54 -0.21 0.00 -1.81 0.00 0.00 61.98 58.45 3hjb s VAL 475 Cb -0.14 -2.52 -0.08 0.00 0.56 0.00 0.00 36.38 34.19 3hjb s VAL 475 CO -0.00 -0.02 1.73 0.50 -0.31 0.00 0.00 175.10 177.00 3hjb h LYS 476 N 3.23 0.05 -2.00 4.82 3.64 -1.07 0.23 116.57 125.48 3hjb h LYS 476 Ca -0.48 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.84 3hjb h LYS 476 Cb 1.19 -0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 32.80 3hjb h LYS 476 CO 0.52 0.03 0.18 -1.14 -2.27 0.00 0.00 179.45 176.77 3hjb s GLN 477 N -6.19 1.00 -0.56 1.90 0.74 -1.26 -1.38 119.66 113.91 3hjb s GLN 477 Ca -0.13 0.45 -0.28 0.00 0.05 0.00 0.00 55.36 55.45 3hjb s GLN 477 Cb 0.08 0.47 0.03 0.00 1.10 0.00 0.00 33.01 34.70 3hjb s GLN 477 CO 0.68 -0.27 1.15 0.42 -0.55 0.00 0.00 175.29 176.72 3hjb s ILE 478 N -0.78 4.09 0.41 -2.34 -1.09 -1.26 -4.75 121.20 115.48 3hjb s ILE 478 Ca -0.08 0.87 0.06 0.00 -2.23 0.00 0.00 60.65 59.27 3hjb s ILE 478 Cb -0.01 -4.68 -0.07 0.00 -1.58 0.00 0.00 42.46 36.11 3hjb s ILE 478 CO 0.08 -1.26 0.02 0.42 -1.23 0.00 0.00 174.94 172.96 3hjb s THR 479 N 4.75 1.78 0.25 2.92 -4.23 -1.26 -4.95 115.64 114.90 3hjb s THR 479 Ca 0.42 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 3hjb s THR 479 Cb -0.08 -2.86 0.23 0.00 1.34 0.00 0.00 72.50 71.13 3hjb s THR 479 CO 0.26 0.00 1.82 -0.65 -0.54 0.00 0.00 174.62 175.51 3hjb h PRO 480 N 1.76 0.85 -0.04 3.99 0.11 -1.91 0.01 132.00 136.77 3hjb h PRO 480 Ca -0.43 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hjb h PRO 480 Cb 1.25 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3hjb h PRO 480 CO 0.78 0.56 0.01 -0.09 -0.21 0.00 0.00 178.00 179.06 3hjb h ARG 481 N 0.87 0.07 -0.06 1.05 2.43 -1.88 -0.90 114.38 115.96 3hjb h ARG 481 Ca 0.42 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.48 3hjb h ARG 481 Cb 0.36 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3hjb h ARG 481 CO -0.24 0.27 -0.41 1.79 -1.51 0.00 0.00 179.97 179.87 3hjb h THR 482 N -0.15 1.30 -0.57 0.20 1.35 -1.80 -0.68 112.91 112.58 3hjb h THR 482 Ca 0.01 -1.46 -0.06 0.00 -0.55 0.00 0.00 66.41 64.35 3hjb h THR 482 Cb 0.23 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 3hjb h THR 482 CO 0.00 0.43 0.12 0.25 -0.25 0.00 0.00 175.52 176.07 3hjb h LEU 483 N 0.10 0.87 -0.62 3.87 5.85 -0.88 -1.01 115.31 123.50 3hjb h LEU 483 Ca 0.01 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3hjb h LEU 483 Cb 0.77 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3hjb h LEU 483 CO 0.06 0.89 0.39 1.23 -0.34 0.00 0.00 178.44 180.67 3hjb h GLY 484 N 0.82 0.88 0.50 3.75 0.00 -0.72 -0.22 103.07 108.07 3hjb h GLY 484 Ca 0.18 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.25 3hjb h GLY 484 CO 0.01 0.28 -0.07 3.43 0.00 0.00 0.00 176.54 180.18 3hjb h ASN 485 N 0.79 -0.24 -0.35 0.19 -0.26 -0.80 -2.12 115.58 112.79 3hjb h ASN 485 Ca 0.24 0.08 -0.05 0.00 -0.56 0.00 0.00 56.30 56.00 3hjb h ASN 485 Cb -0.03 0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.37 3hjb h ASN 485 CO -0.08 -0.09 0.01 -0.07 -1.06 0.00 0.00 177.43 176.15 3hjb h LEU 486 N -0.01 0.59 -0.25 1.61 3.38 -0.64 -0.79 115.31 119.21 3hjb h LEU 486 Ca 0.12 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3hjb h LEU 486 Cb 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hjb h LEU 486 CO -0.26 0.74 0.09 0.40 0.09 0.00 0.00 178.44 179.51 3hjb h ILE 487 N 0.42 1.18 -0.53 1.22 2.04 -1.01 -2.40 117.51 118.42 3hjb h ILE 487 Ca 0.10 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3hjb h ILE 487 Cb 0.43 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 3hjb h ILE 487 CO 0.02 0.18 0.23 0.00 0.00 0.00 0.00 178.15 178.58 3hjb h ALA 488 N 0.93 1.41 -0.15 1.87 0.00 -1.33 -0.29 119.26 121.70 3hjb h ALA 488 Ca 0.08 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hjb h ALA 488 Cb 0.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hjb h ALA 488 CO -0.01 0.46 0.02 1.98 0.00 0.00 0.00 179.25 181.70 3hjb h MET 489 N 0.75 0.07 -0.46 0.00 1.85 -0.85 -0.80 114.93 115.50 3hjb h MET 489 Ca 0.18 -0.00 -0.13 0.00 -0.61 0.00 0.00 59.70 59.14 3hjb h MET 489 Cb 0.12 -0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.12 3hjb h MET 489 CO -0.02 0.05 -0.23 1.88 -0.40 0.00 0.00 176.91 178.18 3hjb h TYR 490 N 0.07 1.09 -0.62 1.39 0.05 -1.06 -0.82 116.97 117.07 3hjb h TYR 490 Ca 0.07 -0.27 0.11 0.00 0.05 0.00 0.00 58.73 58.69 3hjb h TYR 490 Cb 0.07 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 37.47 3hjb h TYR 490 CO -0.14 1.08 0.19 0.93 -1.05 0.00 0.00 178.16 179.17 3hjb h GLU 491 N 0.82 0.33 -0.13 4.88 5.08 -0.68 -0.85 114.58 124.04 3hjb h GLU 491 Ca 0.10 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 3hjb h GLU 491 Cb 0.80 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 3hjb h GLU 491 CO 0.07 0.22 -0.58 0.45 -1.00 0.00 0.00 179.01 178.17 3hjb h HIS 492 N 0.34 0.52 -0.35 4.33 3.86 -0.85 -1.46 115.15 121.53 3hjb h HIS 492 Ca 0.33 -0.19 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 3hjb h HIS 492 Cb 0.46 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.79 3hjb h HIS 492 CO -0.20 0.89 0.08 -0.22 0.86 0.00 0.00 177.93 179.33 3hjb h LYS 493 N 0.31 0.20 -0.52 2.45 3.64 -0.58 -0.16 116.57 121.91 3hjb h LYS 493 Ca -0.00 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3hjb h LYS 493 Cb 1.11 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 3hjb h LYS 493 CO 0.10 0.13 0.30 0.82 -2.27 0.00 0.00 179.45 178.53 3hjb h ILE 494 N 0.21 1.03 -0.16 2.00 2.04 -0.94 -1.50 117.51 120.19 3hjb h ILE 494 Ca 0.16 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.83 3hjb h ILE 494 Cb 0.18 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 3hjb h ILE 494 CO -0.21 0.11 0.05 0.15 0.00 0.00 0.00 178.15 178.26 3hjb h PHE 495 N 0.60 0.10 -0.56 1.37 3.57 -0.82 -1.34 116.94 119.85 3hjb h PHE 495 Ca 0.21 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.75 3hjb h PHE 495 Cb 0.05 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 3hjb h PHE 495 CO -0.07 0.05 0.34 0.28 -2.23 0.00 0.00 178.31 176.67 3hjb h VAL 496 N 0.13 1.05 -0.60 1.41 2.07 -0.69 -0.57 116.25 119.05 3hjb h VAL 496 Ca 0.07 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 3hjb h VAL 496 Cb 0.04 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.11 3hjb h VAL 496 CO -0.07 0.12 0.29 1.56 0.02 0.00 0.00 177.57 179.49 3hjb h GLN 497 N 0.66 0.86 -0.35 1.57 4.20 -1.04 -1.45 115.11 119.56 3hjb h GLN 497 Ca 0.23 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 3hjb h GLN 497 Cb 0.04 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3hjb h GLN 497 CO -0.11 0.69 -0.01 0.78 -0.67 0.00 0.00 178.83 179.52 3hjb h GLY 498 N 0.82 0.58 0.80 3.46 0.00 -0.74 0.28 103.07 108.27 3hjb h GLY 498 Ca 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3hjb h GLY 498 CO -0.03 0.33 -0.11 -2.08 0.00 0.00 0.00 176.54 174.65 3hjb h VAL 499 N 0.52 0.83 -0.76 4.60 2.07 -0.61 -2.11 116.25 120.78 3hjb h VAL 499 Ca 0.11 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3hjb h VAL 499 Cb 0.35 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 3hjb h VAL 499 CO 0.01 0.09 0.25 0.40 0.02 0.00 0.00 177.57 178.34 3hjb h ILE 500 N -0.51 1.26 0.00 4.57 2.04 -1.08 -1.51 117.51 122.28 3hjb h ILE 500 Ca -0.03 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 64.93 3hjb h ILE 500 Cb 0.38 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3hjb h ILE 500 CO 0.05 0.36 0.00 0.79 0.00 0.00 0.00 178.15 179.35 3hjb n TRP 501 N -4.25 0.00 -3.57 1.37 8.01 0.07 -4.26 117.44 114.81 3hjb n TRP 501 Ca 0.06 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 56.02 3hjb n TRP 501 Cb 0.22 -0.15 0.08 0.00 -2.01 0.00 0.00 31.31 29.45 3hjb n TRP 501 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3hjb n ASN 502 N -1.15 -5.83 -4.66 -0.99 5.15 -0.57 -4.87 115.26 102.33 3hjb n ASN 502 Ca 0.13 -0.54 -0.30 0.00 -0.60 0.00 0.00 54.58 53.26 3hjb n ASN 502 Cb 0.12 -5.01 -0.09 0.00 -0.53 0.00 0.00 39.78 34.28 3hjb n ASN 502 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3hjb s ILE 503 N -3.32 1.47 -0.39 -1.44 -4.36 -0.84 -0.42 121.20 111.89 3hjb s ILE 503 Ca 0.51 -2.00 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 3hjb s ILE 503 Cb -0.23 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 40.97 3hjb s ILE 503 CO 0.72 0.00 0.26 -0.36 0.24 0.00 0.00 174.94 175.81 3hjb s PHE 504 N -2.85 3.24 -1.13 1.37 0.08 -1.26 -4.64 117.98 112.79 3hjb s PHE 504 Ca 0.20 -0.66 0.28 0.00 0.12 0.00 0.00 56.93 56.87 3hjb s PHE 504 Cb 0.05 -2.53 1.00 0.00 -0.57 0.00 0.00 43.02 40.97 3hjb s PHE 504 CO 0.10 -0.58 1.75 0.43 -0.10 0.00 0.00 175.22 176.82 3hjb n SER 505 N 5.11 0.25 -0.37 1.36 7.64 -1.26 -4.20 113.62 122.14 3hjb n SER 505 Ca -0.11 0.04 0.04 0.00 1.01 0.00 0.00 58.87 59.85 3hjb n SER 505 Cb 0.47 -0.17 0.05 0.00 -1.01 0.00 0.00 64.21 63.55 3hjb n SER 505 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3hjb n PHE 506 N -1.40 0.08 -3.61 1.43 3.72 -1.26 -4.33 117.46 112.09 3hjb n PHE 506 Ca 0.08 -0.12 -0.24 0.00 -0.05 0.00 0.00 57.45 57.12 3hjb n PHE 506 Cb 0.32 -0.01 0.02 0.00 -0.94 0.00 0.00 39.48 38.88 3hjb n PHE 506 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 3hjb s ASP 507 N -0.78 4.75 -0.43 4.37 1.47 -1.26 -4.98 116.67 119.81 3hjb s ASP 507 Ca 0.12 -1.16 0.06 0.00 1.18 0.00 0.00 52.55 52.75 3hjb s ASP 507 Cb 0.08 0.48 0.32 0.00 -0.34 0.00 0.00 42.92 43.46 3hjb s ASP 507 CO 0.11 -1.24 1.19 0.00 0.68 0.00 0.00 175.17 175.90 3hjb n GLN 508 N -1.96 0.93 0.25 2.11 0.00 -1.26 -4.80 117.38 112.65 3hjb n GLN 508 Ca 0.04 -1.75 0.17 0.00 0.00 0.00 0.00 57.00 55.47 3hjb n GLN 508 Cb 0.64 -0.76 0.81 0.00 0.00 0.00 0.00 30.24 30.92 3hjb n GLN 508 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 3hjb h TRP 509 N 2.72 0.00 0.00 2.61 4.06 -1.98 -2.82 115.95 120.53 3hjb h TRP 509 Ca -0.16 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.79 3hjb h TRP 509 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 3hjb h TRP 509 CO 0.23 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.52 3hjb n GLY 510 N -0.54 -0.71 0.03 1.49 0.00 -1.26 -2.56 105.19 101.64 3hjb n GLY 510 Ca -0.01 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3hjb n GLY 510 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hjb n VAL 511 N -1.14 0.18 -0.06 1.61 0.24 -1.06 -4.56 118.33 113.53 3hjb n VAL 511 Ca 0.11 -0.17 -0.15 0.00 -2.04 0.00 0.00 64.34 62.08 3hjb n VAL 511 Cb 0.10 0.11 -0.05 0.00 -1.47 0.00 0.00 33.84 32.54 3hjb n VAL 511 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3hjb h GLU 512 N 0.00 0.85 -0.26 7.34 5.08 -1.73 -3.24 114.58 122.62 3hjb h GLU 512 Ca 0.00 -0.58 -0.03 0.00 -1.00 0.00 0.00 59.36 57.75 3hjb h GLU 512 Cb 0.66 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 3hjb h GLU 512 CO 0.00 1.21 0.06 1.25 -1.00 0.00 0.00 179.01 180.53 3hjb h LEU 513 N 0.63 0.39 -1.09 1.33 5.85 -1.80 -1.71 115.31 118.91 3hjb h LEU 513 Ca -0.01 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3hjb h LEU 513 Cb 1.23 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.11 3hjb h LEU 513 CO 0.13 0.52 0.62 1.23 -0.34 0.00 0.00 178.44 180.60 3hjb h GLY 514 N 0.24 1.36 0.86 3.75 0.00 -1.87 -0.71 103.07 106.70 3hjb h GLY 514 Ca 0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3hjb h GLY 514 CO 0.00 0.41 0.05 1.70 0.00 0.00 0.00 176.54 178.70 3hjb h LYS 515 N 1.19 0.29 -0.55 4.80 3.64 -1.52 -0.82 116.57 123.60 3hjb h LYS 515 Ca 0.37 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.67 3hjb h LYS 515 Cb -0.00 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hjb h LYS 515 CO -0.11 0.40 0.30 1.96 -2.27 0.00 0.00 179.45 179.73 3hjb h GLN 516 N 0.11 0.78 -0.27 1.90 1.08 -0.88 -1.18 115.11 116.65 3hjb h GLN 516 Ca 0.06 -0.10 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 3hjb h GLN 516 Cb 0.24 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 3hjb h GLN 516 CO -0.00 0.61 -0.28 -0.07 -0.95 0.00 0.00 178.83 178.14 3hjb h LEU 517 N 0.75 0.56 -0.86 1.46 3.38 -1.07 -2.50 115.31 117.03 3hjb h LEU 517 Ca 0.19 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 3hjb h LEU 517 Cb 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hjb h LEU 517 CO -0.03 0.82 -0.16 0.00 0.09 0.00 0.00 178.44 179.16 3hjb h ALA 518 N 1.22 1.03 -0.62 1.53 0.00 -0.81 -1.96 119.26 119.65 3hjb h ALA 518 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3hjb h ALA 518 Cb 0.73 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hjb h ALA 518 CO 0.06 0.58 0.32 -0.91 0.00 0.00 0.00 179.25 179.30 3hjb h ASN 519 N 0.60 0.78 0.09 0.00 2.35 -0.88 -0.46 115.58 118.06 3hjb h ASN 519 Ca 0.10 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.61 3hjb h ASN 519 Cb 0.62 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.78 3hjb h ASN 519 CO 0.04 0.65 -0.61 1.56 -1.65 0.00 0.00 177.43 177.42 3hjb h GLN 520 N 0.87 0.52 0.07 0.81 1.08 -1.13 -3.32 115.11 114.02 3hjb h GLN 520 Ca 0.22 -0.36 -0.25 0.00 -1.45 0.00 0.00 58.65 56.81 3hjb h GLN 520 Cb 0.06 0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 3hjb h GLN 520 CO -0.03 0.97 -1.10 0.82 -0.95 0.00 0.00 178.83 178.55 3hjb h ILE 521 N 0.39 1.46 -0.47 2.54 2.04 -1.01 -3.38 117.51 119.09 3hjb h ILE 521 Ca -0.01 -2.79 0.10 0.00 1.00 0.00 0.00 64.86 63.16 3hjb h ILE 521 Cb 1.17 2.71 -0.09 0.00 -0.74 0.00 0.00 36.82 39.86 3hjb h ILE 521 CO 0.11 0.82 -0.17 0.25 0.00 0.00 0.00 178.15 179.16 3hjb h LEU 522 N 0.13 -0.61 -2.00 1.44 5.85 -1.18 -0.06 115.31 118.89 3hjb h LEU 522 Ca -0.11 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 3hjb h LEU 522 Cb 1.78 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 43.16 3hjb h LEU 522 CO 0.18 -0.21 -0.10 1.55 -0.34 0.00 0.00 178.44 179.53 3hjb h PRO 523 N -0.07 0.00 0.00 5.25 0.13 -1.76 -1.92 132.00 133.63 3hjb h PRO 523 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3hjb h PRO 523 Cb 0.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.54 3hjb h PRO 523 CO -0.52 0.10 0.00 0.93 -0.23 0.00 0.00 178.00 178.28 3hjb h GLU 524 N 0.00 0.00 -0.00 0.86 5.08 -1.19 -3.08 114.58 116.24 3hjb h GLU 524 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hjb h GLU 524 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3hjb h GLU 524 CO 0.01 0.00 -0.32 1.28 -1.00 0.00 0.00 179.01 178.99 3hjb n LEU 525 N -2.78 0.66 -0.08 1.33 4.77 -0.72 -4.27 117.00 115.90 3hjb n LEU 525 Ca 0.02 -0.06 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 3hjb n LEU 525 Cb 0.31 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.14 3hjb n LEU 525 CO 0.26 0.14 0.61 0.00 -1.33 0.00 0.00 177.39 177.06 3hjb h ALA 526 N 3.35 0.36 -6.50 -1.18 0.00 -1.63 -3.46 119.26 110.20 3hjb h ALA 526 Ca 0.00 -0.35 -0.48 0.00 0.00 0.00 0.00 54.91 54.08 3hjb h ALA 526 Cb 0.48 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hjb h ALA 526 CO 0.00 0.30 -0.07 -0.40 0.00 0.00 0.00 179.25 179.07 3hjb n ASP 527 N -4.39 2.08 -0.57 0.00 5.68 -1.26 -5.03 116.55 113.06 3hjb n ASP 527 Ca -0.04 -2.51 0.13 0.00 -0.50 0.00 0.00 54.79 51.86 3hjb n ASP 527 Cb 0.41 -0.40 0.29 0.00 -1.14 0.00 0.00 41.12 40.28 3hjb n ASP 527 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3hjb n SER 528 N -2.33 1.90 -4.77 -1.12 3.41 -1.26 -4.98 113.62 104.47 3hjb n SER 528 Ca 0.15 -1.51 -0.39 0.00 -0.26 0.00 0.00 58.87 56.86 3hjb n SER 528 Cb 0.59 0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3hjb n SER 528 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb s ALA 529 N -2.18 3.22 0.39 7.33 0.00 -1.26 -4.97 121.76 124.29 3hjb s ALA 529 Ca 0.29 1.28 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 3hjb s ALA 529 Cb 0.20 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.71 3hjb s ALA 529 CO 0.40 -0.93 1.37 0.00 0.00 0.00 0.00 175.76 176.60 3hjb s ALA 530 N -1.26 3.39 -0.17 0.00 0.00 -1.26 -5.00 121.76 117.45 3hjb s ALA 530 Ca 0.59 1.36 -0.06 0.00 0.00 0.00 0.00 51.96 53.85 3hjb s ALA 530 Cb -0.39 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.16 3hjb s ALA 530 CO 0.50 -0.90 0.03 0.08 0.00 0.00 0.00 175.76 175.47 3hjb s VAL 531 N -1.19 4.48 0.00 0.00 1.01 -1.26 -4.97 120.40 118.47 3hjb s VAL 531 Ca 0.55 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3hjb s VAL 531 Cb -0.41 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3hjb s VAL 531 CO 0.54 0.48 0.63 0.35 0.00 0.00 0.00 175.10 177.10 3hjb n THR 532 N 3.48 0.35 1.41 3.92 -2.24 -1.26 -4.79 114.28 115.15 3hjb n THR 532 Ca -0.17 -0.38 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 3hjb n THR 532 Cb 0.52 0.92 0.74 0.00 -2.10 0.00 0.00 70.33 70.42 3hjb n THR 532 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hjb n SER 533 N -0.17 0.04 -1.29 3.42 3.41 -1.26 -4.87 113.62 112.90 3hjb n SER 533 Ca 0.00 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.46 3hjb n SER 533 Cb 0.36 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3hjb n SER 533 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hjb n HIS 534 N -1.27 -0.18 -1.10 7.33 8.25 -1.26 -5.10 115.22 121.88 3hjb n HIS 534 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.31 3hjb n HIS 534 Cb 0.25 0.00 0.16 0.00 1.12 0.00 0.00 29.99 31.52 3hjb n HIS 534 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 3hjb s ASP 535 N -0.35 2.97 0.45 0.41 -4.77 -1.26 -4.76 116.67 109.36 3hjb s ASP 535 Ca 0.00 1.45 0.16 0.00 -3.30 0.00 0.00 52.55 50.87 3hjb s ASP 535 Cb 0.00 -2.13 1.05 0.00 -1.09 0.00 0.00 42.92 40.76 3hjb s ASP 535 CO 0.00 -2.95 2.00 0.77 0.70 0.00 0.00 175.17 175.69 3hjb h SER 536 N -1.76 0.00 0.07 2.11 4.64 -1.98 -0.89 113.55 115.73 3hjb h SER 536 Ca -0.52 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.80 3hjb h SER 536 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3hjb h SER 536 CO 0.54 0.18 -0.03 -1.28 -0.87 0.00 0.00 176.83 175.37 3hjb h SER 537 N 0.00 -0.08 -0.53 4.97 0.87 -1.98 -0.41 113.55 116.39 3hjb h SER 537 Ca -0.00 -0.50 0.03 0.00 -1.23 0.00 0.00 61.79 60.09 3hjb h SER 537 Cb 0.34 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 3hjb h SER 537 CO 0.02 0.49 0.31 0.74 -0.53 0.00 0.00 176.83 177.86 3hjb h THR 538 N -0.68 1.02 -0.39 2.23 2.02 -1.90 0.14 112.91 115.35 3hjb h THR 538 Ca -0.01 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.97 3hjb h THR 538 Cb 0.57 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hjb h THR 538 CO 0.01 0.11 0.25 0.78 0.37 0.00 0.00 175.52 177.05 3hjb h ASN 539 N 0.60 0.45 -0.65 4.18 2.35 -1.22 -1.31 115.58 119.98 3hjb h ASN 539 Ca 0.22 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3hjb h ASN 539 Cb 0.06 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 3hjb h ASN 539 CO -0.12 0.33 0.35 1.23 -1.65 0.00 0.00 177.43 177.57 3hjb h GLY 540 N 0.52 0.97 0.86 2.83 0.00 -0.37 0.52 103.07 108.40 3hjb h GLY 540 Ca 0.14 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3hjb h GLY 540 CO -0.03 0.43 0.02 1.41 0.00 0.00 0.00 176.54 178.37 3hjb h LEU 541 N 0.89 0.42 -0.52 3.11 3.38 -0.62 -1.10 115.31 120.86 3hjb h LEU 541 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3hjb h LEU 541 Cb 0.05 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3hjb h LEU 541 CO -0.04 0.60 0.24 0.40 0.09 0.00 0.00 178.44 179.73 3hjb h ILE 542 N 0.23 1.20 -0.39 1.22 2.04 -1.02 -0.49 117.51 120.30 3hjb h ILE 542 Ca 0.07 -0.59 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 3hjb h ILE 542 Cb 0.37 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 3hjb h ILE 542 CO 0.01 0.23 -0.10 0.78 0.00 0.00 0.00 178.15 179.07 3hjb h ASN 543 N 0.70 0.66 -0.39 1.72 2.35 -0.84 -0.92 115.58 118.86 3hjb h ASN 543 Ca 0.18 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 3hjb h ASN 543 Cb 0.14 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3hjb h ASN 543 CO -0.02 0.80 -0.16 0.00 -1.65 0.00 0.00 177.43 176.40 3hjb h ALA 544 N 1.27 0.87 -0.32 -0.83 0.00 -0.93 -1.49 119.26 117.83 3hjb h ALA 544 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hjb h ALA 544 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hjb h ALA 544 CO 0.03 0.64 0.21 0.35 0.00 0.00 0.00 179.25 180.48 3hjb h PHE 545 N 0.77 0.40 -0.63 0.00 3.57 -0.67 -0.45 116.94 119.92 3hjb h PHE 545 Ca 0.12 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3hjb h PHE 545 Cb 0.68 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3hjb h PHE 545 CO 0.04 0.26 0.22 0.87 -2.23 0.00 0.00 178.31 177.46 3hjb h LYS 546 N 0.43 0.94 -0.53 1.11 1.57 -0.91 -1.75 116.57 117.44 3hjb h LYS 546 Ca 0.12 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 3hjb h LYS 546 Cb -0.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3hjb h LYS 546 CO -0.03 0.79 -0.11 0.00 -0.57 0.00 0.00 179.45 179.54 3hjb h ALA 547 N 1.32 0.80 -0.34 3.86 0.00 -0.95 -2.72 119.26 121.22 3hjb h ALA 547 Ca 0.21 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hjb h ALA 547 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hjb h ALA 547 CO -0.01 0.67 -0.15 0.74 0.00 0.00 0.00 179.25 180.49 3hjb h PHE 548 N 0.89 0.66 -0.05 0.00 0.04 -0.66 -2.84 116.94 114.98 3hjb h PHE 548 Ca 0.14 -0.12 -0.09 0.00 2.80 0.00 0.00 57.97 60.69 3hjb h PHE 548 Cb 0.67 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 3hjb h PHE 548 CO 0.04 0.73 -0.41 0.00 -0.60 0.00 0.00 178.31 178.07 3hjb h ARG 549 N 0.55 0.10 0.00 1.51 3.08 -1.25 -3.51 114.38 114.86 3hjb h ARG 549 Ca 0.09 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hjb h ARG 549 Cb 0.58 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3hjb h ARG 549 CO 0.04 0.50 0.00 0.00 -1.07 0.00 0.00 179.97 179.43