#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 0.76 -6.25 0.00 2.07 -1.99 -3.42 114.93 106.11 3hjb h MET 1 Ca 0.00 -0.41 -0.55 0.00 -2.07 0.00 0.00 59.70 56.67 3hjb h MET 1 Cb 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 29.73 3hjb h MET 1 CO 0.00 1.03 0.96 -1.17 1.07 0.00 0.00 176.91 178.80 3hjb s LEU 2 N -8.67 4.27 0.46 1.22 2.96 -1.26 -4.21 118.68 113.44 3hjb s LEU 2 Ca -0.09 2.01 0.03 0.00 -0.22 0.00 0.00 54.13 55.85 3hjb s LEU 2 Cb 0.11 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.27 3hjb s LEU 2 CO 0.86 -0.82 0.65 -0.54 -1.32 0.00 0.00 176.35 175.19 3hjb s LYS 3 N 3.45 2.89 -0.49 1.98 -0.14 -1.26 -5.04 119.74 121.13 3hjb s LYS 3 Ca 0.64 -0.75 0.06 0.00 -1.36 0.00 0.00 55.97 54.56 3hjb s LYS 3 Cb -0.29 -2.61 0.38 0.00 -1.68 0.00 0.00 37.83 33.64 3hjb s LYS 3 CO 0.23 -0.34 0.99 0.09 -0.76 0.00 0.00 175.35 175.56 3hjb n ASN 4 N -2.05 4.10 -4.67 2.83 3.02 -1.26 -5.03 115.26 112.20 3hjb n ASN 4 Ca 0.04 -3.59 -0.42 0.00 -0.03 0.00 0.00 54.58 50.58 3hjb n ASN 4 Cb 0.58 -0.53 -0.03 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 -4.63 4.80 -0.08 2.41 1.01 -1.26 -4.86 121.20 118.59 3hjb s ILE 5 Ca 0.47 1.87 -0.30 0.00 0.00 0.00 0.00 60.65 62.69 3hjb s ILE 5 Cb 0.34 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 3hjb s ILE 5 CO -0.14 -0.02 1.67 0.21 0.00 0.00 0.00 174.94 176.65 3hjb s ASN 6 N 1.14 6.60 0.36 3.58 3.84 -1.26 -4.59 114.94 124.62 3hjb s ASN 6 Ca 0.43 2.16 0.10 0.00 0.21 0.00 0.00 52.86 55.77 3hjb s ASN 6 Cb -0.17 -2.53 0.69 0.00 -0.55 0.00 0.00 41.25 38.69 3hjb s ASN 6 CO 0.13 -0.99 1.83 1.55 -2.79 0.00 0.00 177.10 176.83 3hjb h PRO 7 N 9.83 0.13 0.00 0.43 0.13 -1.90 -3.19 132.00 137.43 3hjb h PRO 7 Ca -0.39 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.68 3hjb h PRO 7 Cb 1.18 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3hjb h PRO 7 CO 0.96 0.42 -0.06 1.79 -0.23 0.00 0.00 178.00 180.88 3hjb h THR 8 N 0.12 0.16 -0.61 1.56 1.35 -1.93 -2.52 112.91 111.04 3hjb h THR 8 Ca 0.02 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3hjb h THR 8 Cb 0.60 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3hjb h THR 8 CO 0.04 0.06 0.00 0.00 -0.25 0.00 0.00 175.52 175.38 3hjb n GLN 9 N -3.18 2.60 -2.31 4.72 1.13 -1.21 -4.62 117.38 114.51 3hjb n GLN 9 Ca 0.01 -2.47 -0.33 0.00 -1.94 0.00 0.00 57.00 52.27 3hjb n GLN 9 Cb 0.35 -1.54 -0.02 0.00 0.11 0.00 0.00 30.24 29.15 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 -1.19 4.02 0.31 5.09 -4.23 -0.95 -4.96 115.64 113.73 3hjb s THR 10 Ca 0.45 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 62.02 3hjb s THR 10 Cb 0.24 -3.49 0.20 0.00 1.34 0.00 0.00 72.50 70.78 3hjb s THR 10 CO 0.32 -0.47 1.90 1.56 -0.54 0.00 0.00 174.62 177.40 3hjb h GLN 11 N 0.94 0.80 -0.60 3.99 1.08 -1.92 -2.45 115.11 116.94 3hjb h GLN 11 Ca -0.48 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 56.56 3hjb h GLN 11 Cb 1.21 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 3hjb h GLN 11 CO 0.59 0.65 0.19 0.00 -0.95 0.00 0.00 178.83 179.31 3hjb h ALA 12 N 1.46 0.79 -0.58 3.87 0.00 -1.90 -0.11 119.26 122.79 3hjb h ALA 12 Ca 0.19 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hjb h ALA 12 Cb 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3hjb h ALA 12 CO -0.02 0.46 0.08 2.35 0.00 0.00 0.00 179.25 182.12 3hjb h TRP 13 N 0.86 1.03 -0.60 0.00 2.91 -1.71 -0.03 115.95 118.41 3hjb h TRP 13 Ca 0.19 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 3hjb h TRP 13 Cb 0.29 -0.28 -0.03 0.00 -0.51 0.00 0.00 29.16 28.63 3hjb h TRP 13 CO 0.02 0.90 0.24 0.87 -1.03 0.00 0.00 178.44 179.44 3hjb h LYS 14 N 0.86 0.87 -0.37 2.65 1.57 -1.14 -0.58 116.57 120.43 3hjb h LYS 14 Ca 0.17 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 3hjb h LYS 14 Cb 0.43 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3hjb h LYS 14 CO 0.01 0.71 -0.23 0.00 -0.57 0.00 0.00 179.45 179.38 3hjb h ALA 15 N 1.40 0.90 -0.56 3.86 0.00 -0.50 -1.62 119.26 122.75 3hjb h ALA 15 Ca 0.20 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3hjb h ALA 15 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hjb h ALA 15 CO -0.02 0.62 0.16 -0.07 0.00 0.00 0.00 179.25 179.94 3hjb h LEU 16 N 0.64 0.83 -0.29 0.00 3.38 -0.44 0.36 115.31 119.80 3hjb h LEU 16 Ca 0.09 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3hjb h LEU 16 Cb 0.73 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3hjb h LEU 16 CO 0.06 0.83 0.17 0.74 0.09 0.00 0.00 178.44 180.33 3hjb h THR 17 N 0.79 1.04 -0.77 0.22 2.02 -0.91 0.62 112.91 115.92 3hjb h THR 17 Ca 0.18 -0.12 -0.06 0.00 0.77 0.00 0.00 66.41 67.18 3hjb h THR 17 Cb 0.31 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3hjb h THR 17 CO -0.00 0.06 0.26 0.00 0.37 0.00 0.00 175.52 176.21 3hjb h ALA 18 N 1.13 1.00 -0.58 6.16 0.00 -1.09 -2.90 119.26 122.98 3hjb h ALA 18 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 3hjb h ALA 18 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3hjb h ALA 18 CO -0.05 0.67 0.09 1.25 0.00 0.00 0.00 179.25 181.21 3hjb h HIS 19 N 1.14 1.03 -0.21 0.00 6.17 -0.59 -2.76 115.15 119.92 3hjb h HIS 19 Ca 0.25 -0.15 0.06 0.00 0.71 0.00 0.00 60.37 61.25 3hjb h HIS 19 Cb 0.29 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.93 3hjb h HIS 19 CO 0.02 0.90 0.17 0.35 0.71 0.00 0.00 177.93 180.09 3hjb h PHE 20 N 0.86 0.00 -0.82 5.26 3.04 -0.67 0.10 116.94 124.71 3hjb h PHE 20 Ca 0.18 0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.30 3hjb h PHE 20 Cb 0.43 0.00 -0.11 0.00 2.56 0.00 0.00 35.95 38.83 3hjb h PHE 20 CO 0.03 0.00 0.33 0.93 -2.02 0.00 0.00 178.31 177.58 3hjb h GLU 21 N 0.00 0.42 0.00 1.11 5.08 -1.43 -1.01 114.58 118.75 3hjb h GLU 21 Ca 0.10 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 58.07 3hjb h GLU 21 Cb 0.45 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 3hjb h GLU 21 CO -0.00 0.28 -2.36 -1.13 -1.00 0.00 0.00 179.01 174.79 3hjb n SER 22 N -5.02 0.46 0.27 1.42 3.41 -0.83 -4.51 113.62 108.81 3hjb n SER 22 Ca 0.17 -0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.95 3hjb n SER 22 Cb 0.51 0.64 0.60 0.00 -0.26 0.00 0.00 64.21 65.70 3hjb n SER 22 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hjb h ALA 23 N 0.79 1.00 -0.81 7.33 0.00 -0.59 -3.22 119.26 123.76 3hjb h ALA 23 Ca -0.54 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 54.50 3hjb h ALA 23 Cb 2.17 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.90 3hjb h ALA 23 CO 0.01 0.02 0.53 -0.56 0.00 0.00 0.00 179.25 179.25 3hjb h GLN 24 N 0.00 0.55 -0.62 0.00 3.07 -1.42 -1.71 115.11 114.99 3hjb h GLN 24 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.71 3hjb h GLN 24 Cb 0.60 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 28.03 3hjb h GLN 24 CO 0.00 0.36 0.00 -0.25 0.09 0.00 0.00 178.83 179.03 3hjb n ASP 25 N -4.52 3.52 -4.69 0.06 8.00 -1.21 -4.98 116.55 112.73 3hjb n ASP 25 Ca 0.15 -2.33 -0.40 0.00 0.71 0.00 0.00 54.79 52.92 3hjb n ASP 25 Cb 0.48 -0.49 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 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 0.70 1.64 -4.48 -1.24 1.56 -0.64 -4.99 117.12 109.67 3hjb n MET 26 Ca 0.18 0.59 -0.31 0.00 -0.27 0.00 0.00 57.70 57.89 3hjb n MET 26 Cb 0.67 -2.35 -0.16 0.00 2.15 0.00 0.00 33.22 33.53 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 -0.76 2.91 0.22 6.12 2.15 -1.26 -5.01 116.67 121.04 3hjb s ASP 27 Ca 0.66 -0.56 -0.09 0.00 0.43 0.00 0.00 52.55 53.00 3hjb s ASP 27 Cb -0.48 -1.34 0.19 0.00 -0.30 0.00 0.00 42.92 40.99 3hjb s ASP 27 CO 0.54 0.04 1.87 -0.07 -0.17 0.00 0.00 175.17 177.38 3hjb h LEU 28 N 7.51 0.99 -0.68 -1.34 3.38 -1.94 -0.56 115.31 122.67 3hjb h LEU 28 Ca -0.35 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3hjb h LEU 28 Cb 1.17 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.62 3hjb h LEU 28 CO 0.55 0.75 0.38 0.50 0.09 0.00 0.00 178.44 180.71 3hjb h LYS 29 N 1.14 0.68 -0.46 1.13 3.64 -1.92 -1.70 116.57 119.08 3hjb h LYS 29 Ca 0.30 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.56 3hjb h LYS 29 Cb -0.07 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 3hjb h LYS 29 CO -0.06 0.45 -0.03 0.00 -2.27 0.00 0.00 179.45 177.54 3hjb h ALA 30 N 1.35 0.63 -0.93 5.00 0.00 -1.82 -1.32 119.26 122.17 3hjb h ALA 30 Ca 0.31 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3hjb h ALA 30 Cb 0.19 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3hjb h ALA 30 CO -0.19 0.45 0.62 -0.07 0.00 0.00 0.00 179.25 180.06 3hjb h LEU 31 N 0.68 1.06 -0.36 0.00 3.38 -0.72 -0.50 115.31 118.85 3hjb h LEU 31 Ca 0.13 -0.03 -0.19 0.00 0.09 0.00 0.00 57.88 57.88 3hjb h LEU 31 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3hjb h LEU 31 CO 0.03 0.76 -0.74 -0.26 0.09 0.00 0.00 178.44 178.32 3hjb h PHE 32 N 1.25 0.63 0.00 1.13 0.04 -1.20 -3.15 116.94 115.64 3hjb h PHE 32 Ca 0.34 -0.28 -0.08 0.00 2.80 0.00 0.00 57.97 60.76 3hjb h PHE 32 Cb -0.13 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 37.91 3hjb h PHE 32 CO -0.01 1.05 -0.37 0.00 -0.60 0.00 0.00 178.31 178.38 3hjb h ALA 33 N 0.87 1.34 0.00 2.45 0.00 -0.68 -3.02 119.26 120.23 3hjb h ALA 33 Ca -0.04 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.45 3hjb h ALA 33 Cb 1.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3hjb h ALA 33 CO 0.13 0.47 -0.42 1.96 0.00 0.00 0.00 179.25 181.39 3hjb h GLN 34 N 0.00 0.00 -2.17 0.00 4.20 -1.07 -3.43 115.11 112.64 3hjb h GLN 34 Ca -0.00 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 3hjb h GLN 34 Cb 0.68 0.00 -0.32 0.00 0.30 0.00 0.00 27.48 28.14 3hjb h GLN 34 CO 0.05 0.42 -0.53 0.34 -0.67 0.00 0.00 178.83 178.44 3hjb s ASP 35 N -6.45 0.60 0.26 1.46 -1.08 -1.14 -5.00 116.67 105.31 3hjb s ASP 35 Ca 0.01 0.13 0.23 0.00 -0.52 0.00 0.00 52.55 52.39 3hjb s ASP 35 Cb 0.10 0.87 1.00 0.00 -1.46 0.00 0.00 42.92 43.43 3hjb s ASP 35 CO 0.70 -0.30 1.69 -1.54 0.52 0.00 0.00 175.17 176.23 3hjb n SER 36 N 5.35 0.62 -1.19 -0.34 3.41 -1.26 -1.96 113.62 118.25 3hjb n SER 36 Ca -0.05 0.68 0.08 0.00 -0.26 0.00 0.00 58.87 59.33 3hjb n SER 36 Cb 0.50 -0.80 0.27 0.00 -0.26 0.00 0.00 64.21 63.92 3hjb n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hjb n GLU 37 N -2.22 2.74 -0.05 4.33 -0.58 -1.26 -4.60 120.64 118.99 3hjb n GLU 37 Ca 0.01 -2.16 -0.08 0.00 -0.42 0.00 0.00 57.16 54.51 3hjb n GLU 37 Cb 0.18 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.43 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 0.04 -0.40 3.49 2.43 -1.74 -0.56 114.38 120.95 3hjb h ARG 38 Ca 0.00 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.22 3hjb h ARG 38 Cb 0.98 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.47 3hjb h ARG 38 CO 0.09 0.03 0.10 0.35 -1.51 0.00 0.00 179.97 179.03 3hjb h PHE 39 N 0.05 0.18 -0.38 2.20 3.57 -1.86 -0.89 116.94 119.81 3hjb h PHE 39 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3hjb h PHE 39 Cb 0.15 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 3hjb h PHE 39 CO -0.21 0.05 0.18 0.00 -2.23 0.00 0.00 178.31 176.10 3hjb h ALA 40 N 1.28 1.61 0.00 2.41 0.00 -1.71 -2.68 119.26 120.18 3hjb h ALA 40 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hjb h ALA 40 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3hjb h ALA 40 CO -0.23 0.32 -0.41 0.87 0.00 0.00 0.00 179.25 179.80 3hjb h LYS 41 N 0.52 0.00 -1.07 0.00 1.57 -0.52 -3.36 116.57 113.72 3hjb h LYS 41 Ca 0.13 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.38 3hjb h LYS 41 Cb 0.06 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 31.94 3hjb h LYS 41 CO -0.02 0.14 -0.82 0.66 -0.57 0.00 0.00 179.45 178.84 3hjb n TYR 42 N -3.04 2.85 -3.84 -1.35 4.02 -0.39 -5.01 117.16 110.38 3hjb n TYR 42 Ca 0.02 -2.63 -0.10 0.00 -0.01 0.00 0.00 57.90 55.18 3hjb n TYR 42 Cb 0.61 -0.23 -0.08 0.00 -0.02 0.00 0.00 39.34 39.62 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 -3.56 0.05 -0.02 7.72 1.04 -1.09 -0.92 113.70 116.92 3hjb s SER 43 Ca 0.47 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 3hjb s SER 43 Cb 0.40 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.83 3hjb s SER 43 CO -0.06 -0.61 0.06 0.00 0.98 0.00 0.00 173.24 173.61 3hjb s ALA 44 N -2.92 -0.14 -0.17 5.32 0.00 0.10 -4.98 121.76 118.97 3hjb s ALA 44 Ca -0.02 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.97 3hjb s ALA 44 Cb 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3hjb s ALA 44 CO -0.06 -0.04 0.07 1.03 0.00 0.00 0.00 175.76 176.76 3hjb s ARG 45 N -0.11 3.91 -0.27 0.00 1.81 -1.26 -0.44 118.95 122.58 3hjb s ARG 45 Ca -0.02 -0.31 -0.04 0.00 -1.72 0.00 0.00 55.73 53.64 3hjb s ARG 45 Cb -0.01 -3.21 0.02 0.00 -0.45 0.00 0.00 34.95 31.29 3hjb s ARG 45 CO 0.00 0.34 0.01 0.12 -0.68 0.00 0.00 175.30 175.09 3hjb s PHE 46 N 0.18 3.11 0.00 -0.53 5.36 -0.20 -5.01 117.98 120.89 3hjb s PHE 46 Ca 0.05 -1.29 0.00 0.00 -0.96 0.00 0.00 56.93 54.73 3hjb s PHE 46 Cb -0.12 -2.15 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 3hjb s PHE 46 CO 0.00 -0.66 0.00 0.41 -1.46 0.00 0.00 175.22 173.51 3hjb n GLY 47 N 4.76 1.23 0.02 13.12 0.00 -1.26 -2.56 105.19 120.50 3hjb n GLY 47 Ca -0.15 -0.57 0.11 0.00 0.00 0.00 0.00 46.02 45.41 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 1.66 0.36 -0.05 1.61 1.13 -1.26 -4.60 117.38 116.23 3hjb n GLN 48 Ca 0.00 -0.06 0.04 0.00 -1.94 0.00 0.00 57.00 55.04 3hjb n GLN 48 Cb 0.00 -1.56 0.07 0.00 0.11 0.00 0.00 30.24 28.86 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 -1.99 2.11 -3.93 1.08 8.00 -1.23 -4.96 116.55 115.64 3hjb n ASP 49 Ca 0.00 -1.60 -0.19 0.00 0.71 0.00 0.00 54.79 53.71 3hjb n ASP 49 Cb 0.46 -0.07 -0.16 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.84 0.53 -0.12 0.53 1.01 -1.06 -0.38 121.20 120.87 3hjb s ILE 50 Ca 0.13 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.63 3hjb s ILE 50 Cb 0.08 -0.51 0.00 0.00 0.01 0.00 0.00 42.46 42.04 3hjb s ILE 50 CO 0.12 0.20 -0.22 -0.22 0.00 0.00 0.00 174.94 174.81 3hjb s LEU 51 N 0.50 2.13 -0.31 2.97 2.96 0.30 -1.04 118.68 126.19 3hjb s LEU 51 Ca -0.06 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.24 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 0.12 0.03 -0.69 -1.32 0.00 0.00 176.35 174.49 3hjb s VAL 52 N 0.58 3.23 -0.38 1.68 1.01 0.42 -0.89 120.40 126.05 3hjb s VAL 52 Ca -0.13 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.48 3hjb s VAL 52 Cb -0.17 -2.83 0.03 0.00 0.00 0.00 0.00 36.38 33.42 3hjb s VAL 52 CO 0.03 -0.10 0.21 -0.62 0.00 0.00 0.00 175.10 174.63 3hjb s ASP 53 N 1.31 5.75 -0.23 3.32 -1.08 0.43 -0.72 116.67 125.44 3hjb s ASP 53 Ca -0.04 -1.01 0.14 0.00 -0.52 0.00 0.00 52.55 51.12 3hjb s ASP 53 Cb -0.19 -2.03 0.53 0.00 -1.46 0.00 0.00 42.92 39.77 3hjb s ASP 53 CO -0.00 -0.40 1.46 0.00 0.52 0.00 0.00 175.17 176.76 3hjb n TYR 54 N 5.00 1.10 0.16 -5.34 0.18 -0.10 -1.19 117.16 116.98 3hjb n TYR 54 Ca -0.12 -1.14 0.04 0.00 1.88 0.00 0.00 57.90 58.56 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 1.55 0.00 -0.46 9.48 4.64 -1.69 -3.26 113.55 123.80 3hjb h SER 55 Ca 0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.13 3hjb h SER 55 Cb 1.59 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.56 3hjb h SER 55 CO 0.32 0.47 0.27 0.29 -0.87 0.00 0.00 176.83 177.31 3hjb n LYS 56 N -3.35 1.79 -4.27 4.77 5.02 -1.26 -4.85 118.16 116.01 3hjb n LYS 56 Ca 0.01 -1.38 -0.27 0.00 -2.02 0.00 0.00 58.31 54.65 3hjb n LYS 56 Cb 0.64 -1.63 -0.09 0.00 -0.02 0.00 0.00 35.03 33.93 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 0.68 4.35 -1.52 4.39 0.01 -1.23 -1.37 114.94 120.26 3hjb s ASN 57 Ca 0.34 -0.52 -0.11 0.00 -0.71 0.00 0.00 52.86 51.86 3hjb s ASN 57 Cb 0.23 -0.78 -0.01 0.00 0.41 0.00 0.00 41.25 41.10 3hjb s ASN 57 CO -0.04 0.11 2.58 0.18 -1.51 0.00 0.00 177.10 178.42 3hjb n LEU 58 N 0.11 7.91 -3.97 0.60 4.77 -1.26 -4.83 117.00 120.33 3hjb n LEU 58 Ca -0.11 -4.37 -0.11 0.00 -0.03 0.00 0.00 56.01 51.40 3hjb n LEU 58 Cb 0.55 -1.57 -0.12 0.00 -2.33 0.00 0.00 43.42 39.95 3hjb n LEU 58 CO 0.35 1.70 -0.37 0.68 -1.33 0.00 0.00 177.39 178.42 3hjb s VAL 59 N 2.05 0.16 0.20 4.08 -7.23 -1.26 -5.00 120.40 113.40 3hjb s VAL 59 Ca 0.58 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 60.08 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 -0.33 0.03 -0.46 -0.31 0.00 0.00 175.10 173.96 3hjb n ASN 60 N 2.00 1.82 -0.37 4.85 0.23 -1.26 -4.99 115.26 117.55 3hjb n ASN 60 Ca -0.20 -1.96 0.02 0.00 -0.53 0.00 0.00 54.58 51.90 3hjb n ASN 60 Cb 0.56 0.31 0.17 0.00 -2.08 0.00 0.00 39.78 38.74 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 1.21 1.38 -0.54 -2.53 0.00 -2.02 -1.60 119.26 115.16 3hjb h ALA 61 Ca -0.16 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3hjb h ALA 61 Cb 0.54 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hjb h ALA 61 CO 0.26 0.49 0.18 1.49 0.00 0.00 0.00 179.25 181.68 3hjb h GLU 62 N 1.21 0.84 -0.36 0.00 4.81 -1.99 -1.07 114.58 118.02 3hjb h GLU 62 Ca 0.41 -0.17 0.01 0.00 -0.13 0.00 0.00 59.36 59.48 3hjb h GLU 62 Cb 0.09 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 3hjb h GLU 62 CO -0.15 0.75 0.23 1.15 -0.73 0.00 0.00 179.01 180.26 3hjb h THR 63 N 0.75 1.07 -0.62 0.32 2.02 -1.71 -1.50 112.91 113.24 3hjb h THR 63 Ca 0.18 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.16 3hjb h THR 63 Cb 0.26 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3hjb h THR 63 CO -0.01 0.08 0.23 0.24 0.37 0.00 0.00 175.52 176.44 3hjb h MET 64 N 0.46 0.95 -0.30 6.66 2.86 -1.18 -0.64 114.93 123.75 3hjb h MET 64 Ca 0.13 -0.18 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3hjb h MET 64 Cb -0.03 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 3hjb h MET 64 CO -0.04 0.81 -0.03 0.37 1.06 0.00 0.00 176.91 179.08 3hjb h GLN 65 N 0.88 0.04 -0.30 1.72 4.15 -0.80 0.11 115.11 120.91 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 0.03 -0.34 0.45 -1.93 0.00 0.00 178.83 177.03 3hjb h HIS 66 N 0.05 0.76 -0.30 3.99 3.86 -0.99 -1.51 115.15 121.00 3hjb h HIS 66 Ca 0.14 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 59.13 3hjb h HIS 66 Cb 0.20 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3hjb h HIS 66 CO -0.25 0.90 0.10 -0.07 0.86 0.00 0.00 177.93 179.47 3hjb h LEU 67 N 0.55 0.44 -1.14 2.43 3.38 -0.72 -1.30 115.31 118.95 3hjb h LEU 67 Ca 0.06 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3hjb h LEU 67 Cb 0.84 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3hjb h LEU 67 CO 0.07 0.52 -0.18 -0.26 0.09 0.00 0.00 178.44 178.68 3hjb h PHE 68 N 0.33 0.41 -0.57 1.13 0.04 -0.90 -1.91 116.94 115.47 3hjb h PHE 68 Ca 0.10 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 3hjb h PHE 68 Cb 0.24 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 3hjb h PHE 68 CO 0.00 0.55 0.32 0.00 -0.60 0.00 0.00 178.31 178.59 3hjb h ALA 69 N 1.46 1.49 -0.37 2.45 0.00 -0.93 -1.86 119.26 121.50 3hjb h ALA 69 Ca 0.06 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3hjb h ALA 69 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3hjb h ALA 69 CO 0.03 0.43 0.03 1.25 0.00 0.00 0.00 179.25 181.00 3hjb h LEU 70 N 0.79 0.61 -0.87 0.00 5.85 -0.47 0.08 115.31 121.30 3hjb h LEU 70 Ca 0.20 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.66 3hjb h LEU 70 Cb 0.01 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3hjb h LEU 70 CO -0.03 0.74 0.57 0.00 -0.34 0.00 0.00 178.44 179.38 3hjb h ALA 71 N 0.89 1.13 -0.36 1.25 0.00 -1.07 -1.88 119.26 119.22 3hjb h ALA 71 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3hjb h ALA 71 Cb 0.41 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 71 CO 0.01 0.47 -0.29 -0.22 0.00 0.00 0.00 179.25 179.22 3hjb h LYS 72 N 1.15 0.83 0.00 0.00 3.64 -1.10 -2.51 116.57 118.58 3hjb h LYS 72 Ca 0.33 -0.41 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 3hjb h LYS 72 Cb -0.07 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3hjb h LYS 72 CO -0.09 1.05 -0.13 1.49 -2.27 0.00 0.00 179.45 179.50 3hjb h GLU 73 N 0.62 0.00 -0.25 1.90 4.81 -0.69 -1.53 114.58 119.44 3hjb h GLU 73 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3hjb h GLU 73 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3hjb h GLU 73 CO 0.08 0.13 0.00 0.25 -0.73 0.00 0.00 179.01 178.74 3hjb n THR 74 N -3.29 0.32 -3.50 0.32 -2.24 -0.73 -4.96 114.28 100.20 3hjb n THR 74 Ca 0.00 -0.45 -0.18 0.00 -2.27 0.00 0.00 64.05 61.15 3hjb n THR 74 Cb 0.37 0.47 0.08 0.00 -2.10 0.00 0.00 70.33 69.15 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 0.60 -1.94 -0.17 3.42 -0.08 -0.58 -4.76 116.55 113.03 3hjb n ASP 75 Ca 0.16 -0.66 0.01 0.00 -1.51 0.00 0.00 54.79 52.79 3hjb n ASP 75 Cb 0.38 -4.88 0.28 0.00 2.34 0.00 0.00 41.12 39.24 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 -1.91 0.79 -0.98 -2.67 5.85 -1.66 -2.63 115.31 112.09 3hjb h LEU 76 Ca -0.59 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.12 3hjb h LEU 76 Cb 1.34 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3hjb h LEU 76 CO 0.52 0.58 0.65 -0.61 -0.34 0.00 0.00 178.44 179.23 3hjb h GLN 77 N 0.92 1.27 -0.23 1.25 5.75 -1.91 -1.06 115.11 121.10 3hjb h GLN 77 Ca 0.25 -0.08 -0.12 0.00 -0.15 0.00 0.00 58.65 58.55 3hjb h GLN 77 Cb -0.10 -0.29 -0.01 0.00 1.07 0.00 0.00 27.48 28.16 3hjb h GLN 77 CO -0.05 0.84 -0.36 0.77 -2.65 0.00 0.00 178.83 177.37 3hjb h SER 78 N 1.30 0.53 -0.64 -0.69 0.02 -1.77 -2.56 113.55 109.75 3hjb h SER 78 Ca 0.37 -0.22 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 3hjb h SER 78 Cb -0.10 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.26 3hjb h SER 78 CO -0.09 0.85 0.17 0.00 -1.14 0.00 0.00 176.83 176.62 3hjb h ALA 79 N 1.18 0.84 -0.07 3.77 0.00 -1.10 -1.06 119.26 122.81 3hjb h ALA 79 Ca 0.04 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hjb h ALA 79 Cb 0.84 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3hjb h ALA 79 CO 0.07 0.54 0.04 0.82 0.00 0.00 0.00 179.25 180.72 3hjb h ILE 80 N 0.93 1.04 -0.76 0.00 2.04 -1.06 -1.43 117.51 118.27 3hjb h ILE 80 Ca 0.20 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.01 3hjb h ILE 80 Cb 0.34 0.97 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 3hjb h ILE 80 CO -0.00 0.03 0.47 0.74 0.00 0.00 0.00 178.15 179.40 3hjb h THR 81 N 0.08 1.09 -0.36 -0.27 2.02 -1.31 -2.33 112.91 111.83 3hjb h THR 81 Ca 0.03 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 66.92 3hjb h THR 81 Cb 0.01 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.49 3hjb h THR 81 CO -0.01 0.17 0.18 0.00 0.37 0.00 0.00 175.52 176.24 3hjb h ALA 82 N 1.33 0.44 0.46 6.16 0.00 -0.81 -1.36 119.26 125.49 3hjb h ALA 82 Ca 0.31 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 3hjb h ALA 82 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hjb h ALA 82 CO -0.13 -0.18 -0.22 1.98 0.00 0.00 0.00 179.25 180.70 3hjb h MET 83 N 0.38 -0.59 -0.09 0.00 -1.53 -0.95 -1.70 114.93 110.44 3hjb h MET 83 Ca 0.15 0.04 -0.04 0.00 -3.44 0.00 0.00 59.70 56.41 3hjb h MET 83 Cb 0.05 0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.22 3hjb h MET 83 CO -0.10 -0.39 -0.12 0.74 0.14 0.00 0.00 176.91 177.19 3hjb h PHE 84 N -0.62 0.15 -0.00 1.39 -1.00 -1.24 -2.59 116.94 113.02 3hjb h PHE 84 Ca -0.06 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.71 3hjb h PHE 84 Cb 0.47 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.99 3hjb h PHE 84 CO -0.04 0.26 -0.14 0.36 -1.61 0.00 0.00 178.31 177.14 3hjb n LYS 85 N -4.33 0.39 -0.34 1.51 2.85 -0.53 -4.93 118.16 112.78 3hjb n LYS 85 Ca -0.01 -0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.13 3hjb n LYS 85 Cb 0.23 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 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 1.37 0.81 3.75 2.58 0.00 -0.98 -4.43 105.19 108.29 3hjb n GLY 86 Ca 0.11 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.67 3.17 -1.49 1.61 2.12 -0.65 -4.68 118.70 118.10 3hjb s GLU 87 Ca 0.00 2.23 -0.13 0.00 0.36 0.00 0.00 54.97 57.43 3hjb s GLU 87 Cb 0.00 -2.27 0.02 0.00 0.26 0.00 0.00 34.13 32.14 3hjb s GLU 87 CO 0.00 -1.17 2.39 0.00 -0.54 0.00 0.00 175.26 175.94 3hjb n ALA 88 N -1.00 6.03 0.28 6.30 0.00 -1.26 -4.24 120.51 126.62 3hjb n ALA 88 Ca 0.10 -3.82 0.18 0.00 0.00 0.00 0.00 53.44 49.90 3hjb n ALA 88 Cb 0.45 -3.47 0.73 0.00 0.00 0.00 0.00 19.45 17.16 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 3.74 0.03 -1.34 0.00 3.07 -1.87 -3.28 117.51 117.86 3hjb h ILE 89 Ca 0.64 -0.49 -0.70 0.00 1.55 0.00 0.00 64.86 65.86 3hjb h ILE 89 Cb 0.55 1.47 -0.11 0.00 -0.27 0.00 0.00 36.82 38.46 3hjb h ILE 89 CO 1.85 0.01 1.86 0.21 -1.05 0.00 0.00 178.15 181.03 3hjb s ASN 90 N -5.67 6.90 0.26 2.16 3.84 -0.72 -4.79 114.94 116.91 3hjb s ASN 90 Ca 0.01 -2.57 0.08 0.00 0.21 0.00 0.00 52.86 50.59 3hjb s ASN 90 Cb 0.09 -2.52 0.32 0.00 -0.55 0.00 0.00 41.25 38.60 3hjb s ASN 90 CO 0.54 -1.04 1.59 1.56 -2.79 0.00 0.00 177.10 176.95 3hjb h GLN 91 N 7.57 0.08 0.00 0.43 4.20 -1.81 0.11 115.11 125.69 3hjb h GLN 91 Ca 0.39 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3hjb h GLN 91 Cb 0.88 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.66 3hjb h GLN 91 CO 1.38 0.67 -0.28 1.79 -0.67 0.00 0.00 178.83 181.72 3hjb h THR 92 N 0.06 0.69 -0.01 -0.54 1.35 -1.92 -2.77 112.91 109.77 3hjb h THR 92 Ca -0.01 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3hjb h THR 92 Cb 1.10 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 3hjb h THR 92 CO 0.09 0.28 -0.10 -0.62 -0.25 0.00 0.00 175.52 174.91 3hjb n GLU 93 N -3.47 1.29 -3.54 4.72 1.02 -1.18 -5.03 120.64 114.46 3hjb n GLU 93 Ca -0.00 -1.08 -0.25 0.00 -0.02 0.00 0.00 57.16 55.81 3hjb n GLU 93 Cb 0.45 -1.23 0.04 0.00 -0.02 0.00 0.00 31.44 30.69 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 -5.82 -4.05 1.62 2.03 0.25 -5.02 116.55 105.96 3hjb n ASP 94 Ca 0.07 -0.87 -0.12 0.00 0.52 0.00 0.00 54.79 54.40 3hjb n ASP 94 Cb 0.32 -3.84 -0.11 0.00 -0.72 0.00 0.00 41.12 36.76 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 -5.32 0.49 0.89 -0.67 0.52 -0.33 -5.02 118.95 109.50 3hjb s ARG 95 Ca 0.41 -0.76 -0.12 0.00 -0.52 0.00 0.00 55.73 54.74 3hjb s ARG 95 Cb -0.12 -0.16 0.12 0.00 0.52 0.00 0.00 34.95 35.31 3hjb s ARG 95 CO 0.83 0.01 1.11 0.00 0.02 0.00 0.00 175.30 177.28 3hjb s ALA 96 N -1.58 1.77 -0.36 2.13 0.00 -1.26 -1.75 121.76 120.71 3hjb s ALA 96 Ca -0.10 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3hjb s ALA 96 Cb -0.09 -3.09 0.11 0.00 0.00 0.00 0.00 23.12 20.06 3hjb s ALA 96 CO -0.01 -2.20 0.15 0.08 0.00 0.00 0.00 175.76 173.78 3hjb s VAL 97 N -3.16 1.05 -0.21 0.00 1.01 -1.26 -4.37 120.40 113.47 3hjb s VAL 97 Ca 0.63 -1.83 0.16 0.00 0.00 0.00 0.00 61.98 60.94 3hjb s VAL 97 Cb -0.16 -1.77 0.46 0.00 0.00 0.00 0.00 36.38 34.91 3hjb s VAL 97 CO 0.55 -0.77 1.17 0.18 0.00 0.00 0.00 175.10 176.23 3hjb n LEU 98 N 4.34 2.74 0.21 3.92 4.77 -0.28 -4.72 117.00 127.98 3hjb n LEU 98 Ca 0.03 -3.54 0.14 0.00 -0.03 0.00 0.00 56.01 52.60 3hjb n LEU 98 Cb 0.39 -0.08 0.74 0.00 -2.33 0.00 0.00 43.42 42.14 3hjb n LEU 98 CO 0.16 1.34 1.12 1.12 -1.33 0.00 0.00 177.39 179.80 3hjb h HIS 99 N 1.82 0.00 -0.09 -1.77 2.07 -1.88 -0.93 115.15 114.37 3hjb h HIS 99 Ca 0.03 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 3hjb h HIS 99 Cb 1.42 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 31.39 3hjb h HIS 99 CO 0.60 0.00 -0.09 1.79 -3.07 0.00 0.00 177.93 177.16 3hjb h THR 100 N 0.00 1.12 0.00 6.12 1.35 -1.94 -2.20 112.91 117.36 3hjb h THR 100 Ca 0.07 -0.54 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 3hjb h THR 100 Cb 0.30 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 3hjb h THR 100 CO -0.00 0.17 -0.35 0.00 -0.25 0.00 0.00 175.52 175.08 3hjb h ALA 101 N 1.78 1.31 0.00 6.62 0.00 -1.54 -2.89 119.26 124.55 3hjb h ALA 101 Ca 0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hjb h ALA 101 Cb 0.25 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hjb h ALA 101 CO 0.01 0.44 -0.07 -0.07 0.00 0.00 0.00 179.25 179.56 3hjb h LEU 102 N 0.00 0.00 -3.19 0.00 3.38 -1.42 -2.40 115.31 111.68 3hjb h LEU 102 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hjb h LEU 102 Cb 0.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3hjb h LEU 102 CO 0.05 0.07 -0.03 -2.11 0.09 0.00 0.00 178.44 176.51 3hjb n ARG 103 N -4.44 2.26 -2.47 1.13 1.85 -1.13 -4.93 116.66 108.93 3hjb n ARG 103 Ca -0.03 -2.83 -0.40 0.00 -1.00 0.00 0.00 57.85 53.59 3hjb n ARG 103 Cb 0.15 -1.74 -0.01 0.00 -1.05 0.00 0.00 32.46 29.82 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 -0.88 4.58 0.26 2.89 5.15 -0.91 -4.34 115.26 122.00 3hjb n ASN 104 Ca 0.21 -2.88 0.11 0.00 -0.60 0.00 0.00 54.58 51.43 3hjb n ASN 104 Cb 0.83 -1.75 0.70 0.00 -0.53 0.00 0.00 39.78 39.03 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 7.96 0.00 0.00 1.20 2.47 -1.90 -1.48 114.38 122.63 3hjb h ARG 105 Ca 0.41 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 59.10 3hjb h ARG 105 Cb 0.88 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 3hjb h ARG 105 CO 1.42 0.12 -0.14 0.66 0.56 0.00 0.00 179.97 182.58 3hjb h SER 106 N 0.00 0.00 -0.74 7.04 4.64 -2.00 -3.47 113.55 119.03 3hjb h SER 106 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 3hjb h SER 106 Cb 0.28 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.24 3hjb h SER 106 CO 0.02 0.14 -0.29 0.59 -0.87 0.00 0.00 176.83 176.42 3hjb n ASN 107 N -3.49 -5.15 -4.77 4.97 3.02 -0.56 -4.97 115.26 104.32 3hjb n ASN 107 Ca -0.01 0.38 -0.41 0.00 -0.03 0.00 0.00 54.58 54.51 3hjb n ASN 107 Cb 0.30 -4.01 -0.01 0.00 -0.61 0.00 0.00 39.78 35.46 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 -2.73 6.36 0.50 6.41 1.04 -1.26 -4.89 113.70 119.13 3hjb s SER 108 Ca 0.00 3.02 -0.23 0.00 0.48 0.00 0.00 55.95 59.22 3hjb s SER 108 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 66.02 63.40 3hjb s SER 108 CO 0.00 -0.88 1.40 -2.84 0.98 0.00 0.00 173.24 171.90 3hjb s PRO 109 N -1.70 3.39 -0.15 4.02 0.02 -1.26 -4.93 135.00 134.38 3hjb s PRO 109 Ca 0.55 2.35 -0.01 0.00 0.02 0.00 0.00 61.00 63.91 3hjb s PRO 109 Cb -0.47 -2.45 0.04 0.00 0.02 0.00 0.00 34.50 31.65 3hjb s PRO 109 CO 0.59 -1.03 -0.02 0.08 -0.33 0.00 0.00 177.00 176.30 3hjb s VAL 110 N -1.25 0.79 -0.12 3.83 1.01 -1.26 -5.04 120.40 118.37 3hjb s VAL 110 Ca 0.67 -0.46 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 3hjb s VAL 110 Cb -0.43 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.85 3hjb s VAL 110 CO 0.53 0.06 0.35 -0.76 0.00 0.00 0.00 175.10 175.28 3hjb s LEU 111 N 1.77 4.30 -0.07 3.92 1.43 -1.26 -0.79 118.68 127.98 3hjb s LEU 111 Ca 0.01 0.67 0.00 0.00 -1.03 0.00 0.00 54.13 53.78 3hjb s LEU 111 Cb -0.15 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.61 3hjb s LEU 111 CO -0.07 0.13 -0.05 -0.69 0.23 0.00 0.00 176.35 175.89 3hjb s VAL 112 N 0.16 0.69 -1.51 -1.59 1.01 -0.43 -4.65 120.40 114.08 3hjb s VAL 112 Ca 0.20 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.91 3hjb s VAL 112 Cb -0.14 -0.73 0.08 0.00 0.00 0.00 0.00 36.38 35.59 3hjb s VAL 112 CO 0.07 0.28 0.87 0.59 0.00 0.00 0.00 175.10 176.91 3hjb n ASN 113 N 4.44 -3.64 0.00 3.32 3.02 -1.26 -1.87 115.26 119.27 3hjb n ASN 113 Ca -0.18 -0.84 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 3hjb n ASN 113 Cb 0.51 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 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 -1.66 0.27 3.10 7.41 0.00 -1.26 -5.00 105.19 108.06 3hjb n GLY 114 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.91 0.94 0.12 1.61 2.02 -0.78 -5.06 118.70 116.64 3hjb s GLU 115 Ca 0.00 -0.55 -0.31 0.00 0.02 0.00 0.00 54.97 54.13 3hjb s GLU 115 Cb 0.00 -0.91 -0.08 0.00 0.10 0.00 0.00 34.13 33.23 3hjb s GLU 115 CO 0.00 0.24 1.43 0.34 0.02 0.00 0.00 175.26 177.29 3hjb s ASP 116 N -0.62 6.77 0.03 -0.19 2.15 -1.26 -1.32 116.67 122.24 3hjb s ASP 116 Ca 0.03 2.39 0.25 0.00 0.43 0.00 0.00 52.55 55.65 3hjb s ASP 116 Cb -0.06 -2.59 0.54 0.00 -0.30 0.00 0.00 42.92 40.52 3hjb s ASP 116 CO 0.00 -0.69 1.44 1.33 -0.17 0.00 0.00 175.17 177.09 3hjb n VAL 117 N 3.96 0.08 -0.32 1.11 0.24 0.03 -4.37 118.33 119.07 3hjb n VAL 117 Ca 0.12 -0.06 -0.04 0.00 -2.04 0.00 0.00 64.34 62.32 3hjb n VAL 117 Cb 0.41 0.09 0.10 0.00 -1.47 0.00 0.00 33.84 32.98 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 1.23 -0.99 7.34 2.86 -1.91 -1.76 114.93 121.69 3hjb h MET 118 Ca 0.00 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.54 3hjb h MET 118 Cb 0.55 -0.24 -0.06 0.00 0.06 0.00 0.00 31.60 31.92 3hjb h MET 118 CO 0.00 0.90 0.64 -1.35 1.06 0.00 0.00 176.91 178.17 3hjb h PRO 119 N 1.23 1.18 -0.40 -0.22 0.11 -1.98 0.32 132.00 132.24 3hjb h PRO 119 Ca 0.31 -0.07 -0.14 0.00 0.11 0.00 0.00 66.00 66.21 3hjb h PRO 119 Cb 0.04 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.88 3hjb h PRO 119 CO -0.05 0.78 -0.30 0.00 -0.21 0.00 0.00 178.00 178.23 3hjb h ALA 120 N 1.42 0.72 -0.08 -0.75 0.00 -1.70 0.16 119.26 119.03 3hjb h ALA 120 Ca 0.41 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hjb h ALA 120 Cb 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hjb h ALA 120 CO -0.14 0.66 0.05 0.28 0.00 0.00 0.00 179.25 180.10 3hjb h VAL 121 N 0.74 1.03 -0.12 0.00 2.07 -0.88 -2.27 116.25 116.81 3hjb h VAL 121 Ca 0.08 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3hjb h VAL 121 Cb 0.86 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hjb h VAL 121 CO 0.08 0.03 -0.27 0.78 0.02 0.00 0.00 177.57 178.21 3hjb h ASN 122 N 0.10 0.21 -0.50 0.57 2.35 -0.77 -2.30 115.58 115.24 3hjb h ASN 122 Ca 0.03 -0.06 -0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3hjb h ASN 122 Cb -0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.29 3hjb h ASN 122 CO -0.01 0.49 0.04 0.00 -1.65 0.00 0.00 177.43 176.30 3hjb h ALA 123 N 1.53 0.67 -0.55 -0.83 0.00 -0.68 -0.75 119.26 118.66 3hjb h ALA 123 Ca 0.03 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3hjb h ALA 123 Cb 0.58 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3hjb h ALA 123 CO 0.04 0.44 0.17 0.28 0.00 0.00 0.00 179.25 180.18 3hjb h VAL 124 N 0.73 1.24 -0.67 0.00 2.07 -1.17 -1.11 116.25 117.32 3hjb h VAL 124 Ca 0.15 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.92 3hjb h VAL 124 Cb 0.46 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3hjb h VAL 124 CO 0.02 0.30 0.40 -0.07 0.02 0.00 0.00 177.57 178.23 3hjb h LEU 125 N 0.76 0.62 -0.79 2.57 3.38 -1.21 -0.01 115.31 120.64 3hjb h LEU 125 Ca 0.18 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3hjb h LEU 125 Cb 0.28 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3hjb h LEU 125 CO -0.01 0.42 0.23 0.00 0.09 0.00 0.00 178.44 179.17 3hjb h ALA 126 N 1.32 1.02 -0.60 1.53 0.00 -0.88 -0.12 119.26 121.52 3hjb h ALA 126 Ca 0.29 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hjb h ALA 126 Cb 0.11 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3hjb h ALA 126 CO -0.14 0.66 0.04 -0.22 0.00 0.00 0.00 179.25 179.59 3hjb h LYS 127 N 1.10 1.03 -0.59 0.00 3.64 -0.65 -1.97 116.57 119.12 3hjb h LYS 127 Ca 0.24 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3hjb h LYS 127 Cb 0.30 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3hjb h LYS 127 CO -0.01 0.99 -0.04 0.52 -2.27 0.00 0.00 179.45 178.64 3hjb h MET 128 N 0.93 1.07 0.02 1.90 2.86 -0.69 -1.47 114.93 119.54 3hjb h MET 128 Ca 0.17 -0.36 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3hjb h MET 128 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3hjb h MET 128 CO 0.02 1.06 -0.09 -0.22 1.06 0.00 0.00 176.91 178.75 3hjb h LYS 129 N 0.96 -0.16 -0.42 1.72 3.64 -0.82 -0.45 116.57 121.04 3hjb h LYS 129 Ca 0.16 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3hjb h LYS 129 Cb 0.61 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 3hjb h LYS 129 CO 0.04 -0.11 0.24 0.00 -2.27 0.00 0.00 179.45 177.35 3hjb h ALA 130 N 0.80 0.54 -0.41 5.00 0.00 -1.24 -1.67 119.26 122.29 3hjb h ALA 130 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3hjb h ALA 130 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3hjb h ALA 130 CO -0.08 0.06 0.15 0.35 0.00 0.00 0.00 179.25 179.73 3hjb h PHE 131 N 0.55 0.63 -0.71 0.00 3.57 -1.19 -2.75 116.94 117.03 3hjb h PHE 131 Ca 0.15 -0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 3hjb h PHE 131 Cb 0.04 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3hjb h PHE 131 CO -0.03 0.57 0.33 0.66 -2.23 0.00 0.00 178.31 177.61 3hjb h SER 132 N 0.51 0.93 -0.43 0.41 4.64 -0.85 -1.57 113.55 117.19 3hjb h SER 132 Ca 0.13 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.28 3hjb h SER 132 Cb 0.21 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3hjb h SER 132 CO -0.01 0.79 0.03 -0.33 -0.87 0.00 0.00 176.83 176.44 3hjb h GLU 133 N 1.01 0.82 -0.45 4.77 5.08 -1.10 0.10 114.58 124.81 3hjb h GLU 133 Ca 0.25 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3hjb h GLU 133 Cb 0.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3hjb h GLU 133 CO -0.03 0.80 -0.08 0.00 -1.00 0.00 0.00 179.01 178.71 3hjb h ARG 134 N 0.77 0.84 0.02 2.33 3.08 -1.12 -0.76 114.38 119.54 3hjb h ARG 134 Ca 0.15 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 3hjb h ARG 134 Cb 0.43 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3hjb h ARG 134 CO 0.02 0.94 -0.01 0.28 -1.07 0.00 0.00 179.97 180.12 3hjb h VAL 135 N 0.68 1.39 -0.51 2.04 2.07 -1.01 -0.85 116.25 120.07 3hjb h VAL 135 Ca 0.12 -1.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.21 3hjb h VAL 135 Cb 0.61 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.66 3hjb h VAL 135 CO 0.04 0.35 0.10 0.40 0.02 0.00 0.00 177.57 178.48 3hjb h ILE 136 N -0.64 1.25 0.00 4.57 2.04 -0.87 -3.11 117.51 120.75 3hjb h ILE 136 Ca -0.00 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 64.97 3hjb h ILE 136 Cb 0.60 0.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.52 3hjb h ILE 136 CO 0.01 0.32 0.00 0.61 0.00 0.00 0.00 178.15 179.09 3hjb n GLY 137 N -0.57 -1.39 0.59 5.37 0.00 -0.29 -4.92 105.19 103.96 3hjb n GLY 137 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 1.08 0.60 0.27 -0.02 0.00 -1.10 -4.95 105.19 101.05 3hjb n GLY 138 Ca 0.06 0.00 -0.06 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 4.35 0.76 -6.35 1.61 5.08 -1.67 -3.41 114.58 114.95 3hjb h GLU 139 Ca 0.00 -0.26 -0.57 0.00 -1.00 0.00 0.00 59.36 57.53 3hjb h GLU 139 Cb 0.00 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 3hjb h GLU 139 CO 0.00 0.86 1.01 -0.46 -1.00 0.00 0.00 179.01 179.42 3hjb s TRP 140 N -4.74 2.55 0.01 4.33 -0.11 -0.39 -5.00 118.94 115.59 3hjb s TRP 140 Ca -0.09 0.79 -0.00 0.00 1.22 0.00 0.00 56.10 58.02 3hjb s TRP 140 Cb 0.14 -3.95 -0.04 0.00 -1.50 0.00 0.00 33.47 28.12 3hjb s TRP 140 CO 0.82 -1.97 0.11 0.15 -4.62 0.00 0.00 176.95 171.44 3hjb s LYS 141 N 4.33 3.12 0.86 5.86 -0.14 -1.26 -4.06 119.74 128.44 3hjb s LYS 141 Ca 0.60 -0.49 -0.15 0.00 -1.36 0.00 0.00 55.97 54.57 3hjb s LYS 141 Cb -0.18 -2.89 0.21 0.00 -1.68 0.00 0.00 37.83 33.29 3hjb s LYS 141 CO 0.25 0.63 0.92 0.41 -0.76 0.00 0.00 175.35 176.81 3hjb n GLY 142 N 0.95 -2.13 0.14 -3.33 0.00 0.50 -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 -3.91 0.80 -0.32 1.61 1.16 -1.26 -1.17 117.46 114.37 3hjb n PHE 143 Ca 0.12 0.33 0.07 0.00 -1.87 0.00 0.00 57.45 56.11 3hjb n PHE 143 Cb 0.45 -1.04 0.21 0.00 -1.61 0.00 0.00 39.48 37.49 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 -2.25 1.18 -0.70 1.97 -2.24 -1.26 -4.98 114.28 106.00 3hjb n THR 144 Ca 0.01 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 3hjb n THR 144 Cb 0.19 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 0.68 0.60 3.88 3.38 0.00 -0.31 -5.06 105.19 108.35 3hjb n GLY 145 Ca 0.16 -0.46 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.96 3.27 0.58 1.61 1.02 -1.26 -4.76 119.74 119.24 3hjb s LYS 146 Ca 0.00 -0.54 -0.19 0.00 0.02 0.00 0.00 55.97 55.26 3hjb s LYS 146 Cb 0.00 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 3hjb s LYS 146 CO 0.00 0.58 1.17 0.00 -0.92 0.00 0.00 175.35 176.18 3hjb s ALA 147 N -1.51 2.59 0.26 5.17 0.00 -1.26 -0.37 121.76 126.64 3hjb s ALA 147 Ca 0.33 0.89 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 3hjb s ALA 147 Cb -0.12 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 19.50 3hjb s ALA 147 CO 0.26 -1.02 1.20 0.42 0.00 0.00 0.00 175.76 176.62 3hjb s ILE 148 N -1.74 3.27 0.00 0.00 -1.09 -1.26 -4.75 121.20 115.63 3hjb s ILE 148 Ca 0.74 1.20 0.00 0.00 -2.23 0.00 0.00 60.65 60.37 3hjb s ILE 148 Cb -0.27 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 3hjb s ILE 148 CO 0.31 0.26 0.00 0.35 -1.23 0.00 0.00 174.94 174.63 3hjb n THR 149 N 1.53 0.00 -4.27 2.92 -2.24 -0.07 -4.96 114.28 107.19 3hjb n THR 149 Ca 0.01 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.62 3hjb n THR 149 Cb 0.44 0.36 -0.14 0.00 -2.10 0.00 0.00 70.33 68.88 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 -2.08 1.03 -0.09 3.42 1.01 -0.94 -1.53 116.67 117.49 3hjb s ASP 150 Ca 0.00 -0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.03 3hjb s ASP 150 Cb 0.00 -0.08 0.01 0.00 1.01 0.00 0.00 42.92 43.86 3hjb s ASP 150 CO 0.00 0.04 -0.17 -0.69 0.21 0.00 0.00 175.17 174.56 3hjb s VAL 151 N -0.47 1.58 -0.24 -1.27 1.01 -0.21 -0.87 120.40 119.93 3hjb s VAL 151 Ca 0.01 -0.73 -0.00 0.00 0.00 0.00 0.00 61.98 61.26 3hjb s VAL 151 Cb -0.05 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.96 3hjb s VAL 151 CO 0.00 0.45 -0.10 -0.69 0.00 0.00 0.00 175.10 174.76 3hjb s VAL 152 N 0.62 2.57 -0.07 2.92 1.01 0.33 -0.48 120.40 127.30 3hjb s VAL 152 Ca -0.14 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 3hjb s VAL 152 Cb -0.16 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 3hjb s VAL 152 CO 0.04 0.23 0.63 0.21 0.00 0.00 0.00 175.10 176.21 3hjb s ASN 153 N 1.28 6.91 -0.21 3.32 2.47 0.42 -0.68 114.94 128.45 3hjb s ASN 153 Ca -0.00 1.09 0.00 0.00 0.42 0.00 0.00 52.86 54.36 3hjb s ASN 153 Cb -0.16 -2.37 0.02 0.00 -1.45 0.00 0.00 41.25 37.29 3hjb s ASN 153 CO -0.06 -0.05 -0.14 -0.63 -3.72 0.00 0.00 177.10 172.49 3hjb s ILE 154 N 0.60 2.40 -0.07 -5.21 1.01 0.35 -0.98 121.20 119.30 3hjb s ILE 154 Ca 0.33 -0.96 -0.32 0.00 0.00 0.00 0.00 60.65 59.70 3hjb s ILE 154 Cb -0.17 -2.10 0.12 0.00 0.01 0.00 0.00 42.46 40.32 3hjb s ILE 154 CO 0.16 0.41 1.24 -0.83 0.00 0.00 0.00 174.94 175.91 3hjb s GLY 155 N 1.30 -0.36 0.20 6.18 0.00 -0.88 -0.77 107.32 112.99 3hjb s GLY 155 Ca 0.03 1.00 0.08 0.00 0.00 0.00 0.00 44.72 45.83 3hjb s GLY 155 CO -0.09 0.27 -0.16 -0.26 0.00 0.00 0.00 173.10 172.85 3hjb s ILE 156 N -2.47 1.82 0.00 0.90 -4.36 -1.26 -3.98 121.20 111.84 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 41.72 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 3.54 0.32 6.27 0.00 -1.26 -1.09 105.19 112.74 3hjb n GLY 157 Ca -0.09 0.13 0.21 0.00 0.00 0.00 0.00 46.02 46.27 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 0.10 -0.02 0.00 -1.97 -0.42 103.07 100.76 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 -0.01 1.44 0.00 0.00 0.00 176.54 177.97 3hjb n SER 159 N -3.18 0.95 0.01 0.19 7.64 -0.25 -4.41 113.62 114.57 3hjb n SER 159 Ca -0.02 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.58 3hjb n SER 159 Cb 0.11 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 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 -0.29 0.05 -0.18 6.43 2.03 -0.43 -4.50 116.55 119.65 3hjb n ASP 160 Ca 0.20 0.02 -0.06 0.00 0.52 0.00 0.00 54.79 55.47 3hjb n ASP 160 Cb 0.27 -0.01 0.03 0.00 -0.72 0.00 0.00 41.12 40.70 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 0.57 0.34 -2.67 3.38 -1.34 -1.36 115.31 114.24 3hjb h LEU 161 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hjb h LEU 161 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hjb h LEU 161 CO 0.00 0.41 -0.16 1.23 0.09 0.00 0.00 178.44 180.01 3hjb h GLY 162 N 0.69 -0.48 1.06 0.83 0.00 -1.81 -0.95 103.07 102.41 3hjb h GLY 162 Ca 0.21 0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.75 3hjb h GLY 162 CO -0.07 -0.17 0.55 -2.55 0.00 0.00 0.00 176.54 174.30 3hjb h PRO 163 N -0.81 1.02 0.06 4.80 0.11 -1.84 0.07 132.00 135.40 3hjb h PRO 163 Ca -0.05 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 3hjb h PRO 163 Cb 0.52 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3hjb h PRO 163 CO 0.08 0.67 -0.03 -0.92 -0.21 0.00 0.00 178.00 177.59 3hjb h TYR 164 N 1.05 -0.07 -0.71 0.65 3.20 -1.25 -1.47 116.97 118.36 3hjb h TYR 164 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 3hjb h TYR 164 Cb 0.02 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 38.27 3hjb h TYR 164 CO -0.00 0.22 0.44 1.98 -1.64 0.00 0.00 178.16 179.15 3hjb h MET 165 N -0.37 0.82 -0.18 1.82 4.05 -0.72 -1.19 114.93 119.17 3hjb h MET 165 Ca -0.01 -0.05 -0.10 0.00 -0.28 0.00 0.00 59.70 59.26 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 0.01 0.54 -0.28 0.28 0.23 0.00 0.00 176.91 177.70 3hjb h VAL 166 N 0.84 1.34 -0.54 -5.77 2.07 -0.96 -0.23 116.25 113.01 3hjb h VAL 166 Ca 0.29 -1.50 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3hjb h VAL 166 Cb 0.05 1.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3hjb h VAL 166 CO -0.12 0.46 0.19 0.71 0.02 0.00 0.00 177.57 178.83 3hjb h THR 167 N 0.16 1.21 -0.32 2.57 1.35 -1.17 -0.73 112.91 115.98 3hjb h THR 167 Ca 0.02 -0.67 -0.05 0.00 -0.55 0.00 0.00 66.41 65.15 3hjb h THR 167 Cb 0.86 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 3hjb h THR 167 CO 0.06 0.26 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.25 3hjb h GLU 168 N 0.78 0.57 -0.08 4.72 4.39 -1.06 -2.61 114.58 121.29 3hjb h GLU 168 Ca 0.18 -0.19 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3hjb h GLU 168 Cb 0.19 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 3hjb h GLU 168 CO -0.01 0.71 -0.12 0.00 -1.16 0.00 0.00 179.01 178.43 3hjb h ALA 169 N 0.84 1.65 -0.40 3.43 0.00 -0.56 -3.09 119.26 121.13 3hjb h ALA 169 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3hjb h ALA 169 Cb 0.46 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 3hjb h ALA 169 CO 0.02 0.26 0.05 1.28 0.00 0.00 0.00 179.25 180.86 3hjb n LEU 170 N -4.33 4.48 -0.34 0.00 4.77 -0.32 -4.70 117.00 116.55 3hjb n LEU 170 Ca -0.02 -3.28 0.22 0.00 -0.03 0.00 0.00 56.01 52.90 3hjb n LEU 170 Cb 0.23 -0.62 0.45 0.00 -2.33 0.00 0.00 43.42 41.15 3hjb n LEU 170 CO 0.37 0.87 1.15 0.58 -1.33 0.00 0.00 177.39 179.03 3hjb h VAL 171 N 1.75 0.41 -0.00 4.08 2.07 -1.38 0.10 116.25 123.28 3hjb h VAL 171 Ca 0.13 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.50 3hjb h VAL 171 Cb 1.72 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3hjb h VAL 171 CO 0.39 0.08 0.08 -0.65 0.02 0.00 0.00 177.57 177.50 3hjb h PRO 172 N 0.42 0.00 -0.54 1.57 0.11 -1.89 -1.54 132.00 130.14 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 1.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.63 3hjb h PRO 172 CO -0.52 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.93 3hjb n TYR 173 N -3.06 0.71 -2.06 0.65 4.01 0.35 -5.01 117.16 112.75 3hjb n TYR 173 Ca -0.03 -0.35 -0.33 0.00 -0.16 0.00 0.00 57.90 57.03 3hjb n TYR 173 Cb 0.15 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.19 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 -1.29 3.28 0.00 -0.72 -2.85 -0.58 -4.54 119.74 113.04 3hjb s LYS 174 Ca 0.43 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.68 3hjb s LYS 174 Cb 0.24 -2.02 0.00 0.00 -2.06 0.00 0.00 37.83 33.98 3hjb s LYS 174 CO 0.32 -0.85 0.00 0.27 0.10 0.00 0.00 175.35 175.20 3hjb n ASN 175 N -1.94 0.00 0.16 0.03 0.23 -0.21 -4.97 115.26 108.55 3hjb n ASN 175 Ca 0.09 -0.68 0.13 0.00 -0.53 0.00 0.00 54.58 53.60 3hjb n ASN 175 Cb 0.53 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.74 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 -0.22 0.00 -4.04 -2.53 2.07 -1.94 -3.45 115.15 105.04 3hjb h HIS 176 Ca 0.00 0.00 -0.50 0.00 -2.85 0.00 0.00 60.37 57.02 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 -4.82 3.89 -0.23 6.12 1.43 -1.26 -5.00 118.68 118.81 3hjb s LEU 177 Ca 0.04 2.24 -0.08 0.00 -1.03 0.00 0.00 54.13 55.30 3hjb s LEU 177 Cb 0.09 -4.40 -0.04 0.00 0.03 0.00 0.00 46.19 41.87 3hjb s LEU 177 CO 0.44 -1.05 0.10 -0.89 0.23 0.00 0.00 176.35 175.18 3hjb s THR 178 N -1.66 4.77 -0.06 5.49 2.01 -0.58 -4.99 115.64 120.62 3hjb s THR 178 Ca 0.68 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 62.65 3hjb s THR 178 Cb -0.26 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 3hjb s THR 178 CO 0.31 0.37 -0.01 0.54 -0.69 0.00 0.00 174.62 175.14 3hjb s VAL 179 N 1.09 4.20 0.05 3.82 0.11 -1.26 -1.05 120.40 127.36 3hjb s VAL 179 Ca 0.05 -0.37 0.04 0.00 -2.93 0.00 0.00 61.98 58.77 3hjb s VAL 179 Cb -0.14 -2.79 -0.02 0.00 -1.53 0.00 0.00 36.38 31.90 3hjb s VAL 179 CO 0.04 0.54 -0.12 -1.00 -3.33 0.00 0.00 175.10 171.23 3hjb s HIS 180 N -0.93 1.08 -0.15 1.54 3.76 0.37 -4.96 115.29 116.00 3hjb s HIS 180 Ca 0.15 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.66 3hjb s HIS 180 Cb -0.11 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 32.97 3hjb s HIS 180 CO 0.04 0.02 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.75 3hjb s PHE 181 N -1.05 2.14 -0.10 1.40 0.08 -1.26 -0.43 117.98 118.76 3hjb s PHE 181 Ca -0.02 -1.19 0.03 0.00 0.12 0.00 0.00 56.93 55.87 3hjb s PHE 181 Cb -0.09 -1.58 -0.01 0.00 -0.57 0.00 0.00 43.02 40.78 3hjb s PHE 181 CO 0.01 -0.66 -0.19 0.08 -0.10 0.00 0.00 175.22 174.36 3hjb s VAL 182 N 1.47 2.49 0.00 -0.44 1.01 -0.15 -4.98 120.40 119.79 3hjb s VAL 182 Ca 0.04 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.15 3hjb s VAL 182 Cb -0.13 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3hjb s VAL 182 CO -0.10 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 174.01 3hjb n SER 183 N 3.38 0.18 -4.77 3.32 3.41 -1.26 -2.06 113.62 115.83 3hjb n SER 183 Ca -0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 58.87 58.03 3hjb n SER 183 Cb 0.53 0.01 -0.03 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 -2.50 6.86 0.47 4.04 3.84 -1.26 -4.69 114.94 121.71 3hjb s ASN 184 Ca 0.00 2.47 0.26 0.00 0.21 0.00 0.00 52.86 55.81 3hjb s ASN 184 Cb 0.00 -2.63 0.97 0.00 -0.55 0.00 0.00 41.25 39.03 3hjb s ASN 184 CO 0.00 -0.45 1.84 1.62 -2.79 0.00 0.00 177.10 177.32 3hjb h VAL 185 N 2.88 0.35 -1.73 -5.21 3.04 -1.99 -3.44 116.25 110.15 3hjb h VAL 185 Ca -0.48 -0.97 -0.69 0.00 -1.01 0.00 0.00 66.70 63.55 3hjb h VAL 185 Cb 1.22 1.74 0.02 0.00 -2.01 0.00 0.00 31.29 32.26 3hjb h VAL 185 CO 0.65 0.14 0.95 -0.67 -1.01 0.00 0.00 177.57 177.64 3hjb n ASP 186 N -3.26 2.74 0.33 3.17 -0.08 -1.26 -4.79 116.55 113.39 3hjb n ASP 186 Ca 0.01 1.04 0.20 0.00 -1.51 0.00 0.00 54.79 54.53 3hjb n ASP 186 Cb 0.41 -1.23 1.09 0.00 2.34 0.00 0.00 41.12 43.74 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 7.77 0.00 0.62 0.27 0.00 -2.03 -1.84 103.07 107.87 3hjb h GLY 187 Ca -0.47 0.00 0.10 0.00 0.00 0.00 0.00 47.33 46.96 3hjb h GLY 187 CO 0.95 0.00 0.61 -0.84 0.00 0.00 0.00 176.54 177.26 3hjb h THR 188 N 0.00 0.96 0.25 4.70 2.02 -1.93 -0.87 112.91 118.04 3hjb h THR 188 Ca 0.01 -0.33 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 3hjb h THR 188 Cb 0.19 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3hjb h THR 188 CO -0.00 0.18 -0.12 -0.74 0.37 0.00 0.00 175.52 175.21 3hjb h HIS 189 N 0.97 -0.31 -0.46 3.16 2.76 -1.62 -0.59 115.15 119.05 3hjb h HIS 189 Ca 0.45 -0.01 -0.13 0.00 -2.20 0.00 0.00 60.37 58.48 3hjb h HIS 189 Cb 0.41 0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 3hjb h HIS 189 CO -0.00 -0.08 -0.23 1.98 -1.30 0.00 0.00 177.93 178.29 3hjb h MET 190 N -0.49 0.98 -0.28 5.26 1.85 -1.73 -2.84 114.93 117.67 3hjb h MET 190 Ca -0.03 -0.43 0.03 0.00 -0.61 0.00 0.00 59.70 58.66 3hjb h MET 190 Cb 0.37 -0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.34 3hjb h MET 190 CO 0.06 1.10 0.09 0.00 -0.40 0.00 0.00 176.91 177.76 3hjb h ALA 191 N 0.85 0.32 -0.18 0.39 0.00 -0.96 0.06 119.26 119.74 3hjb h ALA 191 Ca 0.10 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3hjb h ALA 191 Cb 0.81 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3hjb h ALA 191 CO 0.07 -0.32 -0.33 0.93 0.00 0.00 0.00 179.25 179.60 3hjb h GLU 192 N 0.21 0.37 -0.21 0.00 4.39 -1.13 -2.66 114.58 115.56 3hjb h GLU 192 Ca 0.13 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3hjb h GLU 192 Cb 0.10 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3hjb h GLU 192 CO -0.14 0.66 -0.09 1.15 -1.16 0.00 0.00 179.01 179.44 3hjb h THR 193 N 0.32 1.30 0.00 1.13 2.02 -1.16 -3.08 112.91 113.43 3hjb h THR 193 Ca 0.04 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.06 3hjb h THR 193 Cb 0.74 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3hjb h THR 193 CO 0.06 0.34 -0.13 -0.07 0.37 0.00 0.00 175.52 176.09 3hjb h LEU 194 N 0.13 0.00 -2.18 2.58 3.38 -0.87 -0.65 115.31 117.71 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 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3hjb h LEU 194 CO 0.03 0.13 0.00 0.11 0.09 0.00 0.00 178.44 178.80 3hjb h LYS 195 N 0.00 0.00 -0.11 1.13 1.57 -1.38 -3.02 116.57 114.76 3hjb h LYS 195 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hjb h LYS 195 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hjb h LYS 195 CO 0.02 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.99 3hjb n ASN 196 N -3.02 2.88 -4.32 0.86 3.02 -0.25 -4.99 115.26 109.43 3hjb n ASN 196 Ca -0.01 -1.89 -0.17 0.00 -0.03 0.00 0.00 54.58 52.48 3hjb n ASN 196 Cb 0.18 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.19 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 -1.66 1.17 -0.09 2.41 -7.23 -1.14 -5.13 120.40 108.73 3hjb s VAL 197 Ca 0.27 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 3hjb s VAL 197 Cb 0.18 -2.23 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 3hjb s VAL 197 CO 0.27 -0.43 -0.17 -1.81 -0.31 0.00 0.00 175.10 172.64 3hjb s ASP 198 N -3.29 3.72 0.51 4.85 1.01 -1.26 -4.95 116.67 117.26 3hjb s ASP 198 Ca 0.25 -0.35 0.19 0.00 0.71 0.00 0.00 52.55 53.35 3hjb s ASP 198 Cb 0.04 -1.19 1.28 0.00 1.01 0.00 0.00 42.92 44.06 3hjb s ASP 198 CO 0.07 0.24 2.07 -0.65 0.21 0.00 0.00 175.17 177.11 3hjb h PRO 199 N 6.16 0.06 0.00 8.23 0.11 -1.95 -2.24 132.00 142.37 3hjb h PRO 199 Ca -0.33 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.76 3hjb h PRO 199 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hjb h PRO 199 CO 0.51 0.04 -0.12 0.93 -0.21 0.00 0.00 178.00 179.15 3hjb h GLU 200 N 0.06 0.00 0.00 1.05 3.07 -1.96 -3.30 114.58 113.49 3hjb h GLU 200 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3hjb h GLU 200 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3hjb h GLU 200 CO -0.01 0.12 -0.14 0.25 -1.40 0.00 0.00 179.01 177.83 3hjb n THR 201 N -3.28 1.05 -4.88 1.13 -2.24 -0.87 -4.37 114.28 100.81 3hjb n THR 201 Ca 0.00 -1.23 -0.33 0.00 -2.27 0.00 0.00 64.05 60.23 3hjb n THR 201 Cb 0.37 0.19 -0.14 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.52 2.93 -0.18 4.28 2.01 -1.01 -0.89 115.64 121.26 3hjb s THR 202 Ca 0.15 -0.73 -0.04 0.00 0.31 0.00 0.00 61.69 61.38 3hjb s THR 202 Cb 0.13 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3hjb s THR 202 CO 0.01 0.55 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.25 3hjb s LEU 203 N -0.06 3.15 -0.13 4.42 2.96 -0.05 -4.75 118.68 124.21 3hjb s LEU 203 Ca -0.03 -0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 3hjb s LEU 203 Cb -0.14 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.73 3hjb s LEU 203 CO 0.04 0.09 0.11 -0.36 -1.32 0.00 0.00 176.35 174.91 3hjb s PHE 204 N 0.83 3.47 -0.21 5.38 0.08 0.62 -0.51 117.98 127.63 3hjb s PHE 204 Ca -0.01 0.41 -0.04 0.00 0.12 0.00 0.00 56.93 57.41 3hjb s PHE 204 Cb -0.14 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 3hjb s PHE 204 CO 0.02 0.57 -0.04 -0.51 -0.10 0.00 0.00 175.22 175.16 3hjb s LEU 205 N -0.66 2.95 -0.44 -0.37 1.43 0.14 -0.92 118.68 120.81 3hjb s LEU 205 Ca 0.13 -0.36 -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 0.00 0.34 -0.69 0.23 0.00 0.00 176.35 176.26 3hjb s VAL 206 N 1.34 5.05 -0.53 -1.59 1.01 -0.08 -0.49 120.40 125.10 3hjb s VAL 206 Ca 0.04 -1.01 -0.15 0.00 0.00 0.00 0.00 61.98 60.86 3hjb s VAL 206 Cb -0.14 -3.97 0.13 0.00 0.00 0.00 0.00 36.38 32.40 3hjb s VAL 206 CO -0.02 -0.49 0.48 0.00 0.00 0.00 0.00 175.10 175.07 3hjb s ALA 207 N 1.61 3.61 -0.30 5.51 0.00 0.05 -1.14 121.76 131.10 3hjb s ALA 207 Ca 0.04 -2.56 -0.06 0.00 0.00 0.00 0.00 51.96 49.38 3hjb s ALA 207 Cb -0.23 -3.19 0.16 0.00 0.00 0.00 0.00 23.12 19.86 3hjb s ALA 207 CO 0.07 -2.00 0.62 0.45 0.00 0.00 0.00 175.76 174.90 3hjb s SER 208 N 3.39 -1.23 0.17 0.00 0.15 -0.58 -4.51 113.70 111.10 3hjb s SER 208 Ca 0.04 1.25 -0.14 0.00 0.70 0.00 0.00 55.95 57.80 3hjb s SER 208 Cb -0.29 2.22 0.12 0.00 -1.71 0.00 0.00 66.02 66.36 3hjb s SER 208 CO 0.02 -0.24 1.78 0.50 1.20 0.00 0.00 173.24 176.50 3hjb h LYS 209 N 8.00 0.43 0.00 5.44 3.64 -1.94 -2.54 116.57 129.60 3hjb h LYS 209 Ca -0.20 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.09 3hjb h LYS 209 Cb 1.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3hjb h LYS 209 CO 0.17 0.29 -0.30 1.79 -2.27 0.00 0.00 179.45 179.13 3hjb h THR 210 N 0.44 0.51 -1.41 1.00 1.35 -1.97 -2.53 112.91 110.30 3hjb h THR 210 Ca 0.21 -1.72 -0.35 0.00 -0.55 0.00 0.00 66.41 64.00 3hjb h THR 210 Cb 0.13 2.25 -0.09 0.00 -1.73 0.00 0.00 68.15 68.71 3hjb h THR 210 CO -0.16 0.29 -0.36 0.33 -0.25 0.00 0.00 175.52 175.37 3hjb n PHE 211 N -3.17 -0.30 -0.42 4.73 7.35 -0.96 -4.68 117.46 120.01 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 0.65 -3.14 0.00 0.00 0.35 0.00 0.00 39.48 37.34 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 -3.05 0.09 -1.69 -2.13 -2.24 -1.26 -4.96 114.28 99.04 3hjb n THR 212 Ca -0.18 -0.34 -0.52 0.00 -2.27 0.00 0.00 64.05 60.74 3hjb n THR 212 Cb 0.60 1.30 -0.06 0.00 -2.10 0.00 0.00 70.33 70.07 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 -0.05 0.39 -0.05 4.28 -1.04 -1.26 -4.86 114.28 111.69 3hjb n THR 213 Ca 0.00 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.05 61.86 3hjb n THR 213 Cb 0.14 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.11 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 7.87 -0.04 -0.02 -2.82 4.15 -1.98 -0.06 115.11 122.21 3hjb h GLN 214 Ca -0.47 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.95 3hjb h GLN 214 Cb 1.29 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.99 3hjb h GLN 214 CO 0.94 -0.03 0.00 0.93 -1.93 0.00 0.00 178.83 178.74 3hjb h GLU 215 N -0.04 0.03 -0.58 1.69 3.07 -1.95 -0.69 114.58 116.10 3hjb h GLU 215 Ca 0.12 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.95 3hjb h GLU 215 Cb 0.23 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 3hjb h GLU 215 CO -0.27 0.29 0.25 1.15 -1.40 0.00 0.00 179.01 179.03 3hjb h THR 216 N -0.24 1.22 -0.07 1.13 2.02 -1.85 -1.31 112.91 113.82 3hjb h THR 216 Ca 0.00 -0.66 -0.16 0.00 0.77 0.00 0.00 66.41 66.36 3hjb h THR 216 Cb 0.28 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3hjb h THR 216 CO 0.00 0.26 -0.67 0.24 0.37 0.00 0.00 175.52 175.72 3hjb h MET 217 N 0.80 0.29 -0.19 6.66 2.86 -0.96 0.11 114.93 124.50 3hjb h MET 217 Ca 0.20 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3hjb h MET 217 Cb 0.17 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3hjb h MET 217 CO -0.02 0.85 0.12 1.15 1.06 0.00 0.00 176.91 180.08 3hjb h THR 218 N 0.21 1.06 -0.66 2.22 2.02 -0.90 0.05 112.91 116.90 3hjb h THR 218 Ca -0.02 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 3hjb h THR 218 Cb 1.21 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.38 3hjb h THR 218 CO 0.11 0.05 0.37 0.78 0.37 0.00 0.00 175.52 177.20 3hjb h ASN 219 N 0.25 0.82 -0.69 4.18 2.35 -1.01 -1.99 115.58 119.48 3hjb h ASN 219 Ca 0.07 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3hjb h ASN 219 Cb -0.02 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.12 3hjb h ASN 219 CO -0.01 0.67 0.30 0.00 -1.65 0.00 0.00 177.43 176.73 3hjb h ALA 220 N 1.18 0.89 -0.26 -0.83 0.00 -0.46 -1.28 119.26 118.50 3hjb h ALA 220 Ca 0.23 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3hjb h ALA 220 Cb 0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3hjb h ALA 220 CO -0.04 0.49 -0.34 0.45 0.00 0.00 0.00 179.25 179.81 3hjb h HIS 221 N 0.97 0.65 -0.61 0.00 3.86 -0.87 0.61 115.15 119.76 3hjb h HIS 221 Ca 0.23 -0.17 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3hjb h HIS 221 Cb 0.17 -0.15 -0.03 0.00 1.06 0.00 0.00 27.41 28.47 3hjb h HIS 221 CO 0.01 0.83 0.29 1.15 0.86 0.00 0.00 177.93 181.07 3hjb h THR 222 N 0.48 1.22 -0.59 2.45 2.02 -1.03 -0.31 112.91 117.13 3hjb h THR 222 Ca 0.05 -0.61 -0.08 0.00 0.77 0.00 0.00 66.41 66.54 3hjb h THR 222 Cb 0.81 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 3hjb h THR 222 CO 0.07 0.25 0.05 0.00 0.37 0.00 0.00 175.52 176.26 3hjb h ALA 223 N 1.13 0.80 -0.65 6.16 0.00 -0.89 -1.93 119.26 123.87 3hjb h ALA 223 Ca 0.21 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hjb h ALA 223 Cb 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3hjb h ALA 223 CO -0.03 0.59 0.16 -0.09 0.00 0.00 0.00 179.25 179.88 3hjb h ARG 224 N 0.91 1.05 -0.39 0.00 2.43 -0.65 -0.38 114.38 117.36 3hjb h ARG 224 Ca 0.18 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3hjb h ARG 224 Cb 0.48 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hjb h ARG 224 CO 0.02 0.94 0.24 -0.44 -1.51 0.00 0.00 179.97 179.22 3hjb h ASP 225 N 0.97 0.47 -0.50 -3.80 3.32 -0.90 -0.30 116.42 115.68 3hjb h ASP 225 Ca 0.21 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3hjb h ASP 225 Cb 0.36 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 3hjb h ASP 225 CO 0.00 0.38 0.32 -0.25 -1.72 0.00 0.00 179.24 177.97 3hjb h TRP 226 N 0.51 0.64 -0.26 4.55 7.01 -1.09 -1.32 115.95 125.99 3hjb h TRP 226 Ca 0.14 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.15 3hjb h TRP 226 Cb -0.00 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.83 3hjb h TRP 226 CO -0.04 0.41 0.14 0.35 -2.79 0.00 0.00 178.44 176.52 3hjb h PHE 227 N 0.67 0.35 0.00 2.65 3.57 -0.82 -2.91 116.94 120.46 3hjb h PHE 227 Ca 0.18 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.62 3hjb h PHE 227 Cb -0.06 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 3hjb h PHE 227 CO -0.04 0.29 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.02 3hjb h LEU 228 N 0.31 0.00 -1.33 0.59 3.38 -0.85 0.51 115.31 117.92 3hjb h LEU 228 Ca 0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3hjb h LEU 228 Cb 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3hjb h LEU 228 CO -0.02 0.25 0.51 0.11 0.09 0.00 0.00 178.44 179.38 3hjb h LYS 229 N 0.00 0.78 0.10 1.13 1.57 -1.03 0.95 116.57 120.06 3hjb h LYS 229 Ca -0.00 -0.05 -0.29 0.00 -1.87 0.00 0.00 60.65 58.44 3hjb h LYS 229 Cb 0.68 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3hjb h LYS 229 CO 0.03 0.51 -1.53 0.00 -0.57 0.00 0.00 179.45 177.89 3hjb h ALA 230 N 1.59 0.26 0.00 3.86 0.00 -1.37 -3.41 119.26 120.19 3hjb h ALA 230 Ca 0.34 -1.19 -0.23 0.00 0.00 0.00 0.00 54.91 53.83 3hjb h ALA 230 Cb 0.29 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 3hjb h ALA 230 CO -0.12 0.93 -1.22 0.00 0.00 0.00 0.00 179.25 178.84 3hjb h ALA 231 N -0.10 0.54 -0.02 0.00 0.00 -0.84 -3.48 119.26 115.36 3hjb h ALA 231 Ca -0.34 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.51 3hjb h ALA 231 Cb 1.74 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.62 3hjb h ALA 231 CO 0.02 1.29 0.00 0.41 0.00 0.00 0.00 179.25 180.97 3hjb n GLY 232 N 1.41 2.15 3.68 0.00 0.00 0.32 -4.90 105.19 107.85 3hjb n GLY 232 Ca -0.06 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.13 6.95 0.38 1.61 -1.08 -1.26 -4.91 116.67 117.24 3hjb s ASP 233 Ca 0.00 1.91 0.27 0.00 -0.52 0.00 0.00 52.55 54.21 3hjb s ASP 233 Cb 0.00 -2.55 1.30 0.00 -1.46 0.00 0.00 42.92 40.20 3hjb s ASP 233 CO 0.00 -0.67 1.82 1.05 0.52 0.00 0.00 175.17 177.90 3hjb h GLU 234 N 7.77 0.00 -0.19 4.34 4.11 -1.96 -1.51 114.58 127.14 3hjb h GLU 234 Ca -0.34 0.00 0.06 0.00 0.07 0.00 0.00 59.36 59.14 3hjb h GLU 234 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3hjb h GLU 234 CO 0.90 0.00 0.17 0.00 0.07 0.00 0.00 179.01 180.16 3hjb h ALA 235 N 2.10 1.95 0.00 1.06 0.00 -1.95 -1.75 119.26 120.67 3hjb h ALA 235 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hjb h ALA 235 Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hjb h ALA 235 CO 0.00 -0.27 0.00 0.45 0.00 0.00 0.00 179.25 179.43 3hjb h HIS 236 N 0.00 0.00 -0.85 0.00 3.86 -1.66 -3.16 115.15 113.35 3hjb h HIS 236 Ca 0.09 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.43 3hjb h HIS 236 Cb 0.43 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.84 3hjb h HIS 236 CO 0.00 0.00 0.55 0.28 0.86 0.00 0.00 177.93 179.62 3hjb h VAL 237 N 0.00 0.88 0.00 2.45 2.07 -1.50 -1.93 116.25 118.21 3hjb h VAL 237 Ca 0.00 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3hjb h VAL 237 Cb 0.53 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.43 3hjb h VAL 237 CO 0.00 0.13 -0.01 0.00 0.02 0.00 0.00 177.57 177.70 3hjb h ALA 238 N 1.60 1.04 -0.00 1.67 0.00 -1.50 -0.86 119.26 121.21 3hjb h ALA 238 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3hjb h ALA 238 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hjb h ALA 238 CO -0.17 0.02 -0.34 1.63 0.00 0.00 0.00 179.25 180.39 3hjb n LYS 239 N -3.16 0.55 0.00 0.00 5.02 -0.72 -4.41 118.16 115.43 3hjb n LYS 239 Ca -0.02 -0.32 0.00 0.00 -2.02 0.00 0.00 58.31 55.96 3hjb n LYS 239 Cb 0.17 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 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 -0.95 0.00 -4.15 2.13 8.25 -0.42 -4.74 115.22 115.34 3hjb n HIS 240 Ca 0.10 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.38 3hjb n HIS 240 Cb 0.34 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 -0.04 0.56 0.22 4.41 0.08 -0.63 -0.28 117.98 122.30 3hjb s PHE 241 Ca 0.00 -0.12 0.05 0.00 0.12 0.00 0.00 56.93 56.98 3hjb s PHE 241 Cb 0.00 -0.45 -0.05 0.00 -0.57 0.00 0.00 43.02 41.95 3hjb s PHE 241 CO 0.00 -0.08 -0.06 0.00 -0.10 0.00 0.00 175.22 174.98 3hjb s ALA 242 N 0.37 1.88 -0.02 5.36 0.00 -0.09 -4.65 121.76 124.60 3hjb s ALA 242 Ca -0.04 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.24 3hjb s ALA 242 Cb -0.08 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3hjb s ALA 242 CO -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 175.76 175.48 3hjb s ALA 243 N -3.25 1.21 -0.56 0.00 0.00 -0.45 -0.91 121.76 117.81 3hjb s ALA 243 Ca 0.25 -0.58 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 3hjb s ALA 243 Cb 0.04 -0.36 0.15 0.00 0.00 0.00 0.00 23.12 22.94 3hjb s ALA 243 CO 0.07 0.26 0.40 -0.51 0.00 0.00 0.00 175.76 175.98 3hjb s LEU 244 N -0.13 5.52 0.14 0.00 1.43 -0.29 -0.70 118.68 124.65 3hjb s LEU 244 Ca 0.01 -2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 50.44 3hjb s LEU 244 Cb -0.08 -1.93 0.07 0.00 0.03 0.00 0.00 46.19 44.28 3hjb s LEU 244 CO 0.00 -0.51 0.99 -0.55 0.23 0.00 0.00 176.35 176.51 3hjb s SER 245 N 1.59 -0.16 0.00 2.29 0.15 -0.84 -1.53 113.70 115.20 3hjb s SER 245 Ca 0.12 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.38 3hjb s SER 245 Cb -0.21 0.47 0.01 0.00 -1.71 0.00 0.00 66.02 64.57 3hjb s SER 245 CO -0.04 -0.86 0.50 0.35 1.20 0.00 0.00 173.24 174.39 3hjb n THR 246 N -0.49 0.00 -2.95 6.45 -2.24 -0.96 -3.87 114.28 110.23 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 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 5.26 -0.26 3.42 2.85 -1.23 -4.85 115.26 120.43 3hjb n ASN 247 Ca 0.01 -2.99 0.03 0.00 -0.11 0.00 0.00 54.58 51.52 3hjb n ASN 247 Cb 0.03 -1.55 0.26 0.00 1.24 0.00 0.00 39.78 39.77 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 9.28 1.18 0.96 8.20 0.00 -1.95 -0.99 103.07 119.76 3hjb h GLY 248 Ca 0.31 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 3hjb h GLY 248 CO 1.25 0.31 -0.10 1.70 0.00 0.00 0.00 176.54 179.70 3hjb h LYS 249 N 0.98 -0.27 -0.28 4.80 3.64 -1.99 -0.77 116.57 122.69 3hjb h LYS 249 Ca 0.34 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.65 3hjb h LYS 249 Cb 0.12 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hjb h LYS 249 CO -0.11 -0.15 -0.21 0.00 -2.27 0.00 0.00 179.45 176.71 3hjb h ALA 250 N 0.47 1.12 -0.19 5.00 0.00 -1.89 -1.12 119.26 122.65 3hjb h ALA 250 Ca -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3hjb h ALA 250 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3hjb h ALA 250 CO 0.05 0.55 0.05 0.28 0.00 0.00 0.00 179.25 180.18 3hjb h VAL 251 N 0.46 1.20 -0.79 0.00 2.07 -1.05 -1.44 116.25 116.69 3hjb h VAL 251 Ca 0.07 -0.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3hjb h VAL 251 Cb 0.63 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3hjb h VAL 251 CO 0.04 0.20 0.37 0.00 0.02 0.00 0.00 177.57 178.20 3hjb h ALA 252 N 0.86 1.02 -0.56 1.67 0.00 -0.99 -2.43 119.26 118.84 3hjb h ALA 252 Ca 0.06 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hjb h ALA 252 Cb 0.26 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3hjb h ALA 252 CO -0.00 0.60 0.34 1.49 0.00 0.00 0.00 179.25 181.68 3hjb h GLU 253 N 1.13 0.75 0.00 0.00 4.57 -0.98 -1.36 114.58 118.68 3hjb h GLU 253 Ca 0.27 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.34 3hjb h GLU 253 Cb 0.14 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 3hjb h GLU 253 CO -0.03 0.52 -0.23 0.35 -1.18 0.00 0.00 179.01 178.44 3hjb h PHE 254 N 0.77 0.00 0.00 0.92 3.57 -0.79 -3.46 116.94 117.94 3hjb h PHE 254 Ca 0.20 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3hjb h PHE 254 Cb -0.04 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3hjb h PHE 254 CO 0.00 0.23 0.00 0.41 -2.23 0.00 0.00 178.31 176.72 3hjb n GLY 255 N -0.52 1.07 3.79 2.40 0.00 -0.51 -5.03 105.19 106.39 3hjb n GLY 255 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 4.35 -0.13 -0.61 1.01 -1.02 -3.05 121.20 119.74 3hjb s ILE 256 Ca 0.00 1.65 -0.29 0.00 0.00 0.00 0.00 60.65 62.01 3hjb s ILE 256 Cb 0.00 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.44 3hjb s ILE 256 CO 0.00 0.28 1.08 -0.62 0.00 0.00 0.00 174.94 175.68 3hjb s ASP 257 N -1.48 7.14 0.17 3.58 3.68 -1.26 -4.06 116.67 124.44 3hjb s ASP 257 Ca 0.44 1.56 0.15 0.00 2.13 0.00 0.00 52.55 56.84 3hjb s ASP 257 Cb -0.20 -2.55 0.73 0.00 -1.45 0.00 0.00 42.92 39.45 3hjb s ASP 257 CO 0.24 -0.56 1.47 0.35 0.13 0.00 0.00 175.17 176.81 3hjb n THR 258 N 4.83 1.22 0.29 1.71 -2.24 -1.26 0.29 114.28 119.12 3hjb n THR 258 Ca 0.10 0.46 0.15 0.00 -2.27 0.00 0.00 64.05 62.50 3hjb n THR 258 Cb 0.47 -1.40 0.88 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.83 3.42 3.32 -2.02 -2.04 116.42 118.27 3hjb h ASP 259 Ca 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 57.03 56.62 3hjb h ASP 259 Cb 0.14 0.00 -0.26 0.00 0.22 0.00 0.00 39.33 39.43 3hjb h ASP 259 CO 0.00 0.04 0.46 0.59 -1.72 0.00 0.00 179.24 178.62 3hjb n ASN 260 N -3.68 3.41 -4.43 6.45 5.03 0.14 -4.85 115.26 117.33 3hjb n ASN 260 Ca -0.02 -3.66 -0.36 0.00 0.87 0.00 0.00 54.58 51.41 3hjb n ASN 260 Cb 0.14 -0.79 -0.13 0.00 -1.02 0.00 0.00 39.78 37.99 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 -3.29 3.61 -0.22 3.52 1.75 -0.77 -1.33 119.30 122.56 3hjb s MET 261 Ca 0.54 -0.51 -0.05 0.00 -1.25 0.00 0.00 55.69 54.42 3hjb s MET 261 Cb 0.46 -3.17 -0.01 0.00 2.84 0.00 0.00 34.83 34.95 3hjb s MET 261 CO 0.08 -0.09 -0.02 -0.06 -0.65 0.00 0.00 175.02 174.28 3hjb s PHE 262 N 1.30 2.99 0.40 4.11 0.08 0.12 -4.95 117.98 122.03 3hjb s PHE 262 Ca 0.04 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.28 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 0.02 -0.47 0.66 -1.83 -0.10 0.00 0.00 175.22 173.49 3hjb s GLU 263 N 1.43 3.53 0.35 0.44 -1.05 -1.25 -1.99 118.70 120.16 3hjb s GLU 263 Ca 0.05 -0.05 -0.00 0.00 -0.15 0.00 0.00 54.97 54.82 3hjb s GLU 263 Cb -0.14 -2.53 -0.00 0.00 -0.44 0.00 0.00 34.13 31.02 3hjb s GLU 263 CO -0.01 -0.01 0.45 -0.59 0.95 0.00 0.00 175.26 176.05 3hjb s PHE 264 N -2.49 1.22 0.29 4.83 -0.12 -1.26 -4.37 117.98 116.08 3hjb s PHE 264 Ca 0.44 -1.39 0.07 0.00 -0.05 0.00 0.00 56.93 56.00 3hjb s PHE 264 Cb -0.10 -0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.04 3hjb s PHE 264 CO 0.39 -1.11 -0.05 -1.58 -0.05 0.00 0.00 175.22 172.82 3hjb s TRP 265 N -3.03 2.01 0.52 3.49 0.51 -1.26 -4.87 118.94 116.30 3hjb s TRP 265 Ca 0.32 -0.69 0.38 0.00 -2.12 0.00 0.00 56.10 53.99 3hjb s TRP 265 Cb -0.00 -1.16 2.01 0.00 -0.81 0.00 0.00 33.47 33.51 3hjb s TRP 265 CO 0.22 0.30 2.25 -0.44 -0.51 0.00 0.00 176.95 178.77 3hjb h ASP 266 N 2.23 0.00 -0.08 2.95 3.32 -2.03 -1.35 116.42 121.46 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 -3.29 0.10 -3.52 4.55 4.27 -1.26 -4.58 117.44 113.72 3hjb n TRP 267 Ca -0.02 -0.05 -0.42 0.00 -3.89 0.00 0.00 57.50 53.12 3hjb n TRP 267 Cb 0.14 0.00 -0.09 0.00 -1.36 0.00 0.00 31.31 30.00 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 -1.90 4.62 0.43 -1.67 1.01 -0.51 -1.13 120.40 121.25 3hjb s VAL 268 Ca 0.29 -1.29 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 3hjb s VAL 268 Cb 0.14 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 3hjb s VAL 268 CO 0.23 -0.55 1.11 -0.83 0.00 0.00 0.00 175.10 175.06 3hjb s GLY 269 N 2.35 2.76 0.25 4.51 0.00 -1.26 -4.86 107.32 111.06 3hjb s GLY 269 Ca 0.03 0.83 -0.04 0.00 0.00 0.00 0.00 44.72 45.55 3hjb s GLY 269 CO 0.04 1.28 1.74 -1.33 0.00 0.00 0.00 173.10 174.83 3hjb h GLY 270 N 2.28 1.18 0.77 0.20 0.00 -1.96 0.41 103.07 105.95 3hjb h GLY 270 Ca -0.49 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3hjb h GLY 270 CO 0.61 -0.06 0.00 -0.96 0.00 0.00 0.00 176.54 176.13 3hjb n ARG 271 N -4.95 0.81 -0.73 4.80 1.85 -1.26 -2.09 116.66 115.08 3hjb n ARG 271 Ca 0.14 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 57.05 3hjb n ARG 271 Cb 0.40 -1.39 0.12 0.00 -1.05 0.00 0.00 32.46 30.54 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 -0.89 0.00 0.85 2.89 4.01 0.09 -4.74 117.16 119.38 3hjb n TYR 272 Ca 0.15 -0.93 0.09 0.00 -0.16 0.00 0.00 57.90 57.05 3hjb n TYR 272 Cb 0.07 -0.18 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 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 -0.58 1.80 0.32 7.72 3.41 -0.89 -4.46 113.62 120.94 3hjb n SER 273 Ca 0.12 -1.40 0.21 0.00 -0.26 0.00 0.00 58.87 57.55 3hjb n SER 273 Cb 0.81 0.49 1.10 0.00 -0.26 0.00 0.00 64.21 66.35 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 2.05 0.00 -0.00 1.04 8.10 -1.83 -1.02 115.31 123.64 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 0.64 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.86 3hjb h LEU 274 CO 0.00 0.01 0.00 0.79 -4.11 0.00 0.00 178.44 175.13 3hjb n TRP 275 N -3.16 0.04 -2.34 0.17 7.02 -1.26 -3.03 117.44 114.88 3hjb n TRP 275 Ca -0.02 0.01 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 3hjb n TRP 275 Cb 0.11 -0.52 0.00 0.00 -2.42 0.00 0.00 31.31 28.48 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 -1.54 0.08 -0.22 -0.99 3.41 -0.39 -4.79 113.62 109.18 3hjb n SER 276 Ca 0.07 -0.30 0.31 0.00 -0.26 0.00 0.00 58.87 58.68 3hjb n SER 276 Cb 0.33 0.00 0.73 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.49 2.92 -0.18 7.33 0.00 -1.81 0.17 119.26 127.19 3hjb h ALA 277 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hjb h ALA 277 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3hjb h ALA 277 CO 0.00 -1.25 0.23 0.82 0.00 0.00 0.00 179.25 179.05 3hjb h ILE 278 N 0.00 0.39 -0.04 0.00 1.08 -1.86 -1.04 117.51 116.04 3hjb h ILE 278 Ca 0.47 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.94 3hjb h ILE 278 Cb 1.94 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 36.50 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 -1.38 -0.77 0.36 5.37 0.00 0.58 -4.26 105.19 105.10 3hjb n GLY 279 Ca 0.02 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 0.24 0.81 -1.67 0.99 5.85 -1.36 0.68 115.31 120.84 3hjb h LEU 280 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hjb h LEU 280 Cb 0.06 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3hjb h LEU 280 CO 0.00 0.52 -0.14 0.77 -0.34 0.00 0.00 178.44 179.25 3hjb h SER 281 N 0.92 0.03 -0.10 1.25 4.64 -1.85 0.64 113.55 119.08 3hjb h SER 281 Ca 0.36 -0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3hjb h SER 281 Cb 0.23 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3hjb h SER 281 CO -0.13 0.17 -0.01 0.40 -0.87 0.00 0.00 176.83 176.40 3hjb h ILE 282 N 0.03 1.27 -0.81 0.95 2.04 -1.20 -1.59 117.51 118.21 3hjb h ILE 282 Ca 0.01 -0.85 0.05 0.00 1.00 0.00 0.00 64.86 65.06 3hjb h ILE 282 Cb 0.26 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 3hjb h ILE 282 CO 0.02 0.24 0.50 0.40 0.00 0.00 0.00 178.15 179.31 3hjb h ILE 283 N -0.12 1.05 -0.09 -0.67 2.04 -0.75 -0.40 117.51 118.57 3hjb h ILE 283 Ca 0.03 -0.32 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 3hjb h ILE 283 Cb 0.38 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 3hjb h ILE 283 CO 0.01 0.17 -0.39 -0.07 0.00 0.00 0.00 178.15 177.87 3hjb h LEU 284 N 0.92 0.19 0.17 1.44 3.38 -0.80 0.22 115.31 120.83 3hjb h LEU 284 Ca 0.34 -0.07 -0.27 0.00 0.09 0.00 0.00 57.88 57.98 3hjb h LEU 284 Cb 0.13 -0.05 0.03 0.00 0.09 0.00 0.00 40.66 40.86 3hjb h LEU 284 CO -0.16 0.56 -1.15 -1.28 0.09 0.00 0.00 178.44 176.51 3hjb h SER 285 N 0.16 0.71 -0.01 -0.43 0.87 -0.51 -3.40 113.55 110.94 3hjb h SER 285 Ca 0.02 -0.90 0.00 0.00 -1.23 0.00 0.00 61.79 59.67 3hjb h SER 285 Cb 0.76 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3hjb h SER 285 CO 0.06 1.55 0.00 2.30 -0.53 0.00 0.00 176.83 180.21 3hjb n ILE 286 N -3.91 0.05 0.00 2.23 -5.35 -0.23 -1.04 119.36 111.11 3hjb n ILE 286 Ca -0.15 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 3hjb n ILE 286 Cb 0.96 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.87 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 0.09 -0.61 0.28 3.28 0.00 0.78 -4.33 105.19 104.68 3hjb n GLY 287 Ca 0.01 -1.57 -0.07 0.00 0.00 0.00 0.00 46.02 44.39 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 0.98 -0.90 1.61 3.20 -1.92 -2.29 116.97 117.65 3hjb h TYR 288 Ca 0.00 -0.07 0.02 0.00 3.14 0.00 0.00 58.73 61.83 3hjb h TYR 288 Cb 0.00 -0.30 -0.05 0.00 1.54 0.00 0.00 36.73 37.92 3hjb h TYR 288 CO 0.00 0.76 0.59 -0.44 -1.64 0.00 0.00 178.16 177.43 3hjb h ASP 289 N 0.92 1.00 0.00 -2.11 3.32 -1.95 0.37 116.42 117.96 3hjb h ASP 289 Ca 0.22 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3hjb h ASP 289 Cb 0.18 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3hjb h ASP 289 CO -0.02 0.70 -0.36 0.78 -1.72 0.00 0.00 179.24 178.62 3hjb h ASN 290 N 1.17 0.50 -0.53 6.45 2.35 -1.71 -1.96 115.58 121.85 3hjb h ASN 290 Ca 0.35 -0.20 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 3hjb h ASN 290 Cb -0.06 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 3hjb h ASN 290 CO -0.10 0.82 0.06 0.15 -1.65 0.00 0.00 177.43 176.71 3hjb h PHE 291 N 0.41 1.00 -0.58 1.19 3.57 -0.70 -1.67 116.94 120.16 3hjb h PHE 291 Ca 0.04 -0.14 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 3hjb h PHE 291 Cb 0.82 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 3hjb h PHE 291 CO 0.03 0.87 0.18 0.28 -2.23 0.00 0.00 178.31 177.44 3hjb h VAL 292 N 0.88 1.22 -0.82 1.41 2.07 -0.67 -0.88 116.25 119.47 3hjb h VAL 292 Ca 0.17 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3hjb h VAL 292 Cb 0.44 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 3hjb h VAL 292 CO 0.02 0.29 0.39 -0.33 0.02 0.00 0.00 177.57 177.96 3hjb h GLU 293 N 0.84 1.17 -0.03 1.57 4.39 -0.84 0.12 114.58 121.81 3hjb h GLU 293 Ca 0.19 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.72 3hjb h GLU 293 Cb 0.25 -0.21 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 3hjb h GLU 293 CO -0.01 0.90 0.02 1.25 -1.16 0.00 0.00 179.01 180.01 3hjb h LEU 294 N 1.16 0.04 -0.64 1.33 5.85 -0.70 -0.85 115.31 121.50 3hjb h LEU 294 Ca 0.28 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.00 3hjb h LEU 294 Cb 0.12 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3hjb h LEU 294 CO -0.04 0.05 0.39 -0.07 -0.34 0.00 0.00 178.44 178.44 3hjb h LEU 295 N 0.01 0.63 -0.99 2.25 3.38 -0.85 -2.20 115.31 117.55 3hjb h LEU 295 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3hjb h LEU 295 Cb 0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3hjb h LEU 295 CO -0.00 0.44 0.31 0.00 0.09 0.00 0.00 178.44 179.27 3hjb h ALA 296 N 1.28 1.20 -0.46 1.53 0.00 -0.49 -0.07 119.26 122.26 3hjb h ALA 296 Ca 0.26 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3hjb h ALA 296 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3hjb h ALA 296 CO -0.11 0.59 0.11 0.78 0.00 0.00 0.00 179.25 180.62 3hjb h GLY 297 N 1.08 0.79 1.01 0.00 0.00 -0.87 -0.74 103.07 104.35 3hjb h GLY 297 Ca 0.24 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hjb h GLY 297 CO -0.03 0.46 0.39 0.00 0.00 0.00 0.00 176.54 177.37 3hjb h ALA 298 N 0.98 0.97 -0.77 3.60 0.00 -0.93 -2.50 119.26 120.61 3hjb h ALA 298 Ca 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hjb h ALA 298 Cb 0.32 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3hjb h ALA 298 CO 0.00 0.50 0.41 1.25 0.00 0.00 0.00 179.25 181.41 3hjb h HIS 299 N 1.05 1.06 -0.04 0.00 6.17 -0.60 0.56 115.15 123.34 3hjb h HIS 299 Ca 0.26 -0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.22 3hjb h HIS 299 Cb 0.07 -0.34 -0.01 0.00 2.52 0.00 0.00 27.41 29.65 3hjb h HIS 299 CO 0.00 0.75 -0.40 0.93 0.71 0.00 0.00 177.93 179.93 3hjb h GLU 300 N 1.07 0.09 -0.18 5.26 4.39 -0.96 -0.71 114.58 123.55 3hjb h GLU 300 Ca 0.27 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.74 3hjb h GLU 300 Cb 0.05 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3hjb h GLU 300 CO -0.04 0.47 -0.64 1.98 -1.16 0.00 0.00 179.01 179.62 3hjb h MET 301 N 0.07 0.65 -0.46 2.33 4.05 -0.99 -2.06 114.93 118.53 3hjb h MET 301 Ca 0.01 -0.46 0.04 0.00 -0.28 0.00 0.00 59.70 59.00 3hjb h MET 301 Cb 0.74 0.08 -0.04 0.00 -0.80 0.00 0.00 31.60 31.57 3hjb h MET 301 CO 0.06 1.08 0.23 -0.44 0.23 0.00 0.00 176.91 178.07 3hjb h ASP 302 N 0.47 0.33 -0.66 1.39 3.32 -0.41 -0.29 116.42 120.58 3hjb h ASP 302 Ca -0.01 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.03 3hjb h ASP 302 Cb 1.23 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 3hjb h ASP 302 CO 0.13 0.23 0.30 1.56 -1.72 0.00 0.00 179.24 179.73 3hjb h GLN 303 N 0.46 0.96 -0.44 3.56 1.08 -1.08 -1.44 115.11 118.20 3hjb h GLN 303 Ca 0.20 -0.15 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 3hjb h GLN 303 Cb 0.11 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 3hjb h GLN 303 CO -0.15 0.78 0.27 1.25 -0.95 0.00 0.00 178.83 180.03 3hjb h HIS 304 N 0.92 0.50 -0.66 2.96 2.76 -1.01 -0.92 115.15 119.69 3hjb h HIS 304 Ca 0.22 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 3hjb h HIS 304 Cb 0.15 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 3hjb h HIS 304 CO 0.01 0.29 0.08 0.35 -1.30 0.00 0.00 177.93 177.36 3hjb h PHE 305 N 0.54 1.19 0.02 5.26 3.57 -0.61 -1.94 116.94 124.97 3hjb h PHE 305 Ca 0.18 -0.17 -0.21 0.00 3.53 0.00 0.00 57.97 61.29 3hjb h PHE 305 Cb 0.00 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 3hjb h PHE 305 CO -0.07 1.00 -0.94 0.28 -2.23 0.00 0.00 178.31 176.35 3hjb h VAL 306 N 1.03 1.52 -0.00 1.41 2.07 -1.13 -3.37 116.25 117.77 3hjb h VAL 306 Ca 0.20 -2.76 0.00 0.00 0.82 0.00 0.00 66.70 64.96 3hjb h VAL 306 Cb 0.48 2.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 3hjb h VAL 306 CO 0.02 0.80 -0.76 0.59 0.02 0.00 0.00 177.57 178.24 3hjb n ASN 307 N -3.61 1.24 -4.74 0.57 3.02 -0.36 -4.96 115.26 106.41 3hjb n ASN 307 Ca -0.04 -1.12 -0.35 0.00 -0.03 0.00 0.00 54.58 53.04 3hjb n ASN 307 Cb 0.85 0.83 -0.08 0.00 -0.61 0.00 0.00 39.78 40.77 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 -2.66 5.42 0.55 3.41 2.01 -0.74 -5.06 115.64 118.56 3hjb s THR 308 Ca 0.10 0.20 -0.20 0.00 0.31 0.00 0.00 61.69 62.10 3hjb s THR 308 Cb 0.15 -3.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.13 3hjb s THR 308 CO 0.71 0.45 1.04 -2.65 -0.69 0.00 0.00 174.62 173.48 3hjb n PRO 309 N 3.40 1.15 -0.32 4.92 -0.02 -1.26 -4.64 135.00 138.22 3hjb n PRO 309 Ca -0.16 0.43 0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3hjb n PRO 309 Cb 0.52 -2.21 0.38 0.00 -0.02 0.00 0.00 33.50 32.17 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 0.91 0.90 0.00 6.00 0.04 -1.97 -1.11 116.94 121.70 3hjb h PHE 310 Ca -0.48 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3hjb h PHE 310 Cb 1.35 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 39.22 3hjb h PHE 310 CO 0.40 0.22 0.00 0.93 -0.60 0.00 0.00 178.31 179.26 3hjb h GLU 311 N 0.66 0.00 0.00 1.51 3.07 -1.99 -2.16 114.58 115.67 3hjb h GLU 311 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.40 3hjb h GLU 311 Cb 0.98 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.89 3hjb h GLU 311 CO -0.31 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 177.73 3hjb n SER 312 N -2.54 1.54 -4.50 1.42 7.64 -0.47 -5.02 113.62 111.69 3hjb n SER 312 Ca -0.01 -1.75 -0.43 0.00 1.01 0.00 0.00 58.87 57.69 3hjb n SER 312 Cb 0.12 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.25 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 -0.75 6.29 0.11 6.43 3.84 -0.81 -4.94 114.94 125.11 3hjb s ASN 313 Ca 0.00 -0.47 -0.25 0.00 0.21 0.00 0.00 52.86 52.35 3hjb s ASN 313 Cb 0.00 -2.30 -0.08 0.00 -0.55 0.00 0.00 41.25 38.32 3hjb s ASN 313 CO 0.00 -0.78 1.67 0.40 -2.79 0.00 0.00 177.10 175.60 3hjb h ILE 314 N 5.86 0.59 -0.51 -5.21 2.04 -1.92 -0.58 117.51 117.79 3hjb h ILE 314 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3hjb h ILE 314 Cb 1.10 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 3hjb h ILE 314 CO 0.90 0.00 0.33 -0.65 0.00 0.00 0.00 178.15 178.72 3hjb h PRO 315 N -0.30 0.67 -0.23 2.37 0.11 -1.94 -0.75 132.00 131.93 3hjb h PRO 315 Ca 0.04 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3hjb h PRO 315 Cb 0.35 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.30 3hjb h PRO 315 CO -0.14 0.45 -0.02 0.28 -0.21 0.00 0.00 178.00 178.36 3hjb h VAL 316 N 0.69 1.27 -0.08 3.15 2.07 -1.74 -1.10 116.25 120.51 3hjb h VAL 316 Ca 0.18 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.74 3hjb h VAL 316 Cb -0.07 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 3hjb h VAL 316 CO -0.04 0.30 0.05 0.40 0.02 0.00 0.00 177.57 178.30 3hjb h ILE 317 N 0.18 1.02 -0.80 4.57 2.04 -0.66 -0.62 117.51 123.24 3hjb h ILE 317 Ca 0.06 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3hjb h ILE 317 Cb 0.45 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3hjb h ILE 317 CO 0.02 0.02 0.47 -0.07 0.00 0.00 0.00 178.15 178.58 3hjb h LEU 318 N 0.11 0.97 -0.42 1.44 3.38 -1.13 -1.48 115.31 118.18 3hjb h LEU 318 Ca 0.03 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hjb h LEU 318 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3hjb h LEU 318 CO -0.01 0.76 0.26 0.00 0.09 0.00 0.00 178.44 179.55 3hjb h ALA 319 N 1.25 0.54 -0.41 1.53 0.00 -0.89 -1.39 119.26 119.88 3hjb h ALA 319 Ca 0.28 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hjb h ALA 319 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3hjb h ALA 319 CO -0.05 0.03 -0.02 -0.07 0.00 0.00 0.00 179.25 179.13 3hjb h LEU 320 N 0.56 0.73 -0.88 0.00 3.38 -0.80 -0.95 115.31 117.35 3hjb h LEU 320 Ca 0.15 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3hjb h LEU 320 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3hjb h LEU 320 CO -0.03 0.88 0.58 0.40 0.09 0.00 0.00 178.44 180.35 3hjb h ILE 321 N 0.57 1.23 -0.72 1.22 2.04 -1.21 -0.70 117.51 119.93 3hjb h ILE 321 Ca 0.11 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3hjb h ILE 321 Cb 0.52 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 3hjb h ILE 321 CO 0.03 0.22 0.46 1.23 0.00 0.00 0.00 178.15 180.09 3hjb h GLY 322 N 1.19 1.04 1.04 5.37 0.00 -0.97 -2.28 103.07 108.46 3hjb h GLY 322 Ca 0.32 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3hjb h GLY 322 CO -0.07 0.32 0.28 -2.22 0.00 0.00 0.00 176.54 174.85 3hjb h ILE 323 N 0.92 1.26 -0.55 2.60 2.04 -0.64 -0.52 117.51 122.62 3hjb h ILE 323 Ca 0.28 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.37 3hjb h ILE 323 Cb -0.02 0.38 -0.06 0.00 -0.74 0.00 0.00 36.82 36.38 3hjb h ILE 323 CO -0.09 0.34 0.23 -0.25 0.00 0.00 0.00 178.15 178.38 3hjb h TRP 324 N 1.11 0.42 -0.15 1.37 -0.00 -0.60 0.98 115.95 119.08 3hjb h TRP 324 Ca 0.25 0.03 -0.19 0.00 -0.00 0.00 0.00 58.89 58.97 3hjb h TRP 324 Cb 0.24 -0.10 0.01 0.00 -0.00 0.00 0.00 29.16 29.31 3hjb h TRP 324 CO 0.02 0.16 -0.66 1.88 -0.00 0.00 0.00 178.44 179.84 3hjb h TYR 325 N 0.44 0.95 -0.34 2.65 0.05 -1.15 -1.86 116.97 117.71 3hjb h TYR 325 Ca 0.26 -0.41 -0.14 0.00 0.05 0.00 0.00 58.73 58.49 3hjb h TYR 325 Cb 0.25 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 3hjb h TYR 325 CO -0.14 1.22 -0.35 -0.97 -1.05 0.00 0.00 178.16 176.87 3hjb h ASN 326 N 0.40 0.89 0.00 3.88 -1.24 -0.84 -0.18 115.58 118.49 3hjb h ASN 326 Ca -0.04 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.50 3hjb h ASN 326 Cb 1.29 -0.25 0.00 0.00 0.73 0.00 0.00 38.32 40.09 3hjb h ASN 326 CO 0.14 1.19 -1.47 0.59 -1.29 0.00 0.00 177.43 176.59 3hjb n ASN 327 N -4.15 0.93 -0.05 1.15 4.13 0.32 -3.74 115.26 113.85 3hjb n ASN 327 Ca -0.03 -0.30 -0.10 0.00 1.68 0.00 0.00 54.58 55.83 3hjb n ASN 327 Cb 0.52 1.53 -0.03 0.00 -1.54 0.00 0.00 39.78 40.26 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 -1.87 0.00 0.57 3.10 3.72 -0.77 -4.66 117.46 117.55 3hjb n PHE 328 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 3hjb n PHE 328 Cb 0.39 -0.34 0.41 0.00 -0.94 0.00 0.00 39.48 39.00 3hjb n PHE 328 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3hjb h HIS 329 N -0.32 0.00 -0.41 1.38 3.86 -1.25 -3.48 115.15 114.93 3hjb h HIS 329 Ca -0.24 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 58.86 3hjb h HIS 329 Cb 1.22 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.65 3hjb h HIS 329 CO -0.03 0.00 -0.11 0.41 0.86 0.00 0.00 177.93 179.06 3hjb n GLY 330 N 1.12 0.63 3.71 2.45 0.00 -0.23 -4.98 105.19 107.88 3hjb n GLY 330 Ca 0.05 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.23 3.39 -0.49 4.61 0.00 -0.33 -4.94 121.76 121.77 3hjb s ALA 331 Ca 0.00 0.79 0.24 0.00 0.00 0.00 0.00 51.96 52.98 3hjb s ALA 331 Cb 0.00 -3.45 0.37 0.00 0.00 0.00 0.00 23.12 20.04 3hjb s ALA 331 CO 0.00 -0.47 1.48 0.93 0.00 0.00 0.00 175.76 177.69 3hjb h GLU 332 N 6.92 0.00 -4.86 0.00 5.08 -1.89 -3.38 114.58 116.44 3hjb h GLU 332 Ca -0.40 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 57.63 3hjb h GLU 332 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 3hjb h GLU 332 CO 0.82 0.00 -0.63 -1.54 -1.00 0.00 0.00 179.01 176.65 3hjb s SER 333 N -5.35 1.22 -0.03 1.42 1.04 -1.26 -0.98 113.70 109.75 3hjb s SER 333 Ca 0.06 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.19 3hjb s SER 333 Cb 0.09 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.37 3hjb s SER 333 CO 0.69 -0.67 -0.02 -1.61 0.98 0.00 0.00 173.24 172.61 3hjb s GLU 334 N -3.99 0.44 -0.13 4.02 2.02 0.19 -4.17 118.70 117.10 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 -0.54 -0.04 0.00 0.10 0.00 0.00 34.13 33.72 3hjb s GLU 334 CO 0.10 -0.08 0.11 0.00 0.02 0.00 0.00 175.26 175.41 3hjb s ALA 335 N 0.79 3.74 -0.22 5.21 0.00 -0.54 -2.26 121.76 128.49 3hjb s ALA 335 Ca -0.09 -0.68 -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 21.09 3hjb s ALA 335 CO -0.01 0.53 -0.09 0.42 0.00 0.00 0.00 175.76 176.62 3hjb s ILE 336 N -0.76 2.86 -0.53 0.00 1.01 -0.16 -0.84 121.20 122.79 3hjb s ILE 336 Ca 0.13 -0.80 0.04 0.00 0.00 0.00 0.00 60.65 60.02 3hjb s ILE 336 Cb -0.12 -2.34 0.15 0.00 0.01 0.00 0.00 42.46 40.17 3hjb s ILE 336 CO 0.03 0.37 0.35 -0.76 0.00 0.00 0.00 174.94 174.93 3hjb s LEU 337 N 1.38 3.26 -0.02 2.97 1.43 0.43 -3.96 118.68 124.17 3hjb s LEU 337 Ca 0.04 -3.18 -0.30 0.00 -1.03 0.00 0.00 54.13 49.66 3hjb s LEU 337 Cb -0.15 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 3hjb s LEU 337 CO -0.06 -0.18 0.98 -2.16 0.23 0.00 0.00 176.35 175.16 3hjb s PRO 338 N -0.39 4.53 -1.33 1.29 0.04 -1.26 -2.21 135.00 135.68 3hjb s PRO 338 Ca 0.24 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 62.59 3hjb s PRO 338 Cb -0.11 -3.47 0.13 0.00 0.04 0.00 0.00 34.50 31.08 3hjb s PRO 338 CO -0.10 -0.09 2.09 0.66 0.04 0.00 0.00 177.00 179.59 3hjb n TYR 339 N 4.08 2.90 -3.22 0.56 4.02 0.12 -0.77 117.16 124.84 3hjb n TYR 339 Ca 0.06 -2.83 0.04 0.00 -0.01 0.00 0.00 57.90 55.16 3hjb n TYR 339 Cb 0.51 -2.03 -0.02 0.00 -0.02 0.00 0.00 39.34 37.78 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 1.11 -0.82 0.30 7.72 2.15 -1.24 -4.60 116.67 121.29 3hjb s ASP 340 Ca 0.45 0.64 -0.01 0.00 0.43 0.00 0.00 52.55 54.06 3hjb s ASP 340 Cb 0.12 1.74 0.46 0.00 -0.30 0.00 0.00 42.92 44.95 3hjb s ASP 340 CO -0.03 -0.15 1.96 -0.61 -0.17 0.00 0.00 175.17 176.16 3hjb h GLN 341 N 7.91 1.07 -0.31 4.34 5.75 -1.85 -1.89 115.11 130.13 3hjb h GLN 341 Ca -0.17 -0.06 0.06 0.00 -0.15 0.00 0.00 58.65 58.32 3hjb h GLN 341 Cb 1.15 -0.24 -0.02 0.00 1.07 0.00 0.00 27.48 29.45 3hjb h GLN 341 CO 0.06 0.71 0.21 1.88 -2.65 0.00 0.00 178.83 179.04 3hjb h TYR 342 N 1.10 0.17 -0.26 3.99 0.05 -1.91 -1.46 116.97 118.65 3hjb h TYR 342 Ca 0.32 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 59.01 3hjb h TYR 342 Cb -0.06 -0.06 -0.06 0.00 1.01 0.00 0.00 36.73 37.57 3hjb h TYR 342 CO -0.00 0.09 0.12 1.28 -1.05 0.00 0.00 178.16 178.60 3hjb n LEU 343 N -4.48 3.47 0.27 3.88 4.77 -0.71 -2.72 117.00 121.48 3hjb n LEU 343 Ca 0.03 -1.78 0.18 0.00 -0.03 0.00 0.00 56.01 54.42 3hjb n LEU 343 Cb 0.26 -0.59 0.97 0.00 -2.33 0.00 0.00 43.42 41.74 3hjb n LEU 343 CO 0.35 0.54 1.05 1.12 -1.33 0.00 0.00 177.39 179.12 3hjb h HIS 344 N 0.73 0.00 -0.43 -1.77 2.07 -1.36 -1.64 115.15 112.74 3hjb h HIS 344 Ca 0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.64 3hjb h HIS 344 Cb 1.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.31 3hjb h HIS 344 CO 0.44 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.84 3hjb n ARG 345 N -2.77 2.76 -0.02 5.12 5.12 -1.26 -4.67 116.66 120.94 3hjb n ARG 345 Ca -0.02 -2.18 -0.12 0.00 -1.93 0.00 0.00 57.85 53.59 3hjb n ARG 345 Cb 0.06 -1.35 -0.07 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 2.64 0.16 -0.78 -1.55 3.57 -1.63 -1.91 116.94 117.44 3hjb h PHE 346 Ca 0.00 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 3hjb h PHE 346 Cb 0.79 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 3hjb h PHE 346 CO 0.29 0.40 0.43 0.00 -2.23 0.00 0.00 178.31 177.20 3hjb h ALA 347 N 0.73 1.00 -0.79 2.41 0.00 -1.83 -2.42 119.26 118.36 3hjb h ALA 347 Ca 0.02 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3hjb h ALA 347 Cb 0.34 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3hjb h ALA 347 CO 0.00 0.51 0.52 0.00 0.00 0.00 0.00 179.25 180.29 3hjb h ALA 348 N 1.22 1.46 -0.51 0.00 0.00 -1.83 -1.30 119.26 118.32 3hjb h ALA 348 Ca 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hjb h ALA 348 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3hjb h ALA 348 CO -0.04 0.49 0.31 -0.92 0.00 0.00 0.00 179.25 179.08 3hjb h TYR 349 N 1.04 0.67 0.00 0.00 3.20 -0.88 -2.53 116.97 118.47 3hjb h TYR 349 Ca 0.30 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3hjb h TYR 349 Cb -0.07 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3hjb h TYR 349 CO -0.00 0.46 0.00 1.19 -1.64 0.00 0.00 178.16 178.17 3hjb n PHE 350 N -4.69 0.45 -0.12 -3.82 3.01 -0.83 -1.77 117.46 109.68 3hjb n PHE 350 Ca 0.02 0.15 -0.07 0.00 1.01 0.00 0.00 57.45 58.56 3hjb n PHE 350 Cb 0.05 -0.74 0.01 0.00 -0.01 0.00 0.00 39.48 38.79 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 0.46 0.07 -1.08 4.20 -0.80 0.13 115.11 118.09 3hjb h GLN 351 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3hjb h GLN 351 Cb 0.48 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3hjb h GLN 351 CO 0.00 0.30 -0.04 0.37 -0.67 0.00 0.00 178.83 178.80 3hjb h GLN 352 N 0.47 -0.09 -1.00 1.46 4.15 -1.49 -1.05 115.11 117.56 3hjb h GLN 352 Ca 0.15 0.01 0.06 0.00 0.77 0.00 0.00 58.65 59.64 3hjb h GLN 352 Cb -0.01 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.64 3hjb h GLN 352 CO -0.06 0.45 0.64 0.78 -1.93 0.00 0.00 178.83 178.71 3hjb h GLY 353 N -0.73 1.51 0.00 2.39 0.00 -1.26 -1.13 103.07 103.86 3hjb h GLY 353 Ca -0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.82 3hjb h GLY 353 CO 0.02 0.34 -0.39 -0.57 0.00 0.00 0.00 176.54 175.94 3hjb h ASN 354 N 1.17 0.00 -0.27 0.19 -0.73 -0.85 -3.31 115.58 111.78 3hjb h ASN 354 Ca 0.43 -0.16 -0.12 0.00 1.87 0.00 0.00 56.30 58.31 3hjb h ASN 354 Cb 0.16 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 3hjb h ASN 354 CO -0.17 0.79 -0.27 0.24 -0.37 0.00 0.00 177.43 177.65 3hjb h MET 355 N -1.00 0.77 0.00 6.67 2.86 -1.19 0.06 114.93 123.10 3hjb h MET 355 Ca -0.05 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.17 3hjb h MET 355 Cb 0.49 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3hjb h MET 355 CO -0.03 0.95 -0.43 1.49 1.06 0.00 0.00 176.91 179.95 3hjb h GLU 356 N 0.66 0.00 0.06 1.72 4.81 -1.27 -0.68 114.58 119.88 3hjb h GLU 356 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3hjb h GLU 356 Cb 0.79 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.17 3hjb h GLU 356 CO 0.07 0.43 -0.03 0.77 -0.73 0.00 0.00 179.01 179.52 3hjb h SER 357 N 0.00 -0.07 -0.29 1.04 0.02 -1.52 -3.40 113.55 109.34 3hjb h SER 357 Ca -0.00 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.37 3hjb h SER 357 Cb 0.96 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.51 3hjb h SER 357 CO 0.06 0.61 0.00 0.59 -1.14 0.00 0.00 176.83 176.95 3hjb n ASN 358 N -4.80 2.80 -4.20 3.07 3.02 -0.04 -4.21 115.26 110.90 3hjb n ASN 358 Ca -0.08 -1.85 -0.43 0.00 -0.03 0.00 0.00 54.58 52.19 3hjb n ASN 358 Cb 0.31 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.76 3.53 3.06 7.41 0.00 -0.26 -1.21 105.19 118.48 3hjb n GLY 359 Ca 0.12 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 3.23 0.54 -0.03 1.61 -0.14 -1.26 -4.96 119.74 118.73 3hjb s LYS 360 Ca 0.49 -0.72 0.04 0.00 -1.36 0.00 0.00 55.97 54.42 3hjb s LYS 360 Cb 0.07 -0.34 0.07 0.00 -1.68 0.00 0.00 37.83 35.95 3hjb s LYS 360 CO 0.00 0.07 0.90 2.48 -0.76 0.00 0.00 175.35 178.04 3hjb n TYR 361 N 1.59 0.00 -4.66 3.18 0.18 -1.26 -4.70 117.16 111.48 3hjb n TYR 361 Ca -0.22 -0.39 -0.25 0.00 1.88 0.00 0.00 57.90 58.91 3hjb n TYR 361 Cb 0.55 -0.06 -0.17 0.00 -0.38 0.00 0.00 39.34 39.28 3hjb n TYR 361 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hjb s VAL 362 N -0.99 1.24 0.88 -3.48 1.01 -1.26 -1.52 120.40 116.28 3hjb s VAL 362 Ca 0.07 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 3hjb s VAL 362 Cb 0.06 -1.12 0.14 0.00 0.00 0.00 0.00 36.38 35.45 3hjb s VAL 362 CO 0.01 0.38 1.24 1.51 0.00 0.00 0.00 175.10 178.24 3hjb s ASP 363 N 0.60 3.86 0.49 3.32 1.47 0.53 -4.55 116.67 122.40 3hjb s ASP 363 Ca -0.15 0.54 0.33 0.00 1.18 0.00 0.00 52.55 54.45 3hjb s ASP 363 Cb -0.16 -0.82 1.61 0.00 -0.34 0.00 0.00 42.92 43.21 3hjb s ASP 363 CO 0.04 -2.29 2.00 0.03 0.68 0.00 0.00 175.17 175.63 3hjb h ARG 364 N -1.32 0.00 -0.14 2.11 3.08 -1.03 0.23 114.38 117.31 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 1.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.34 3hjb h ARG 364 CO 0.53 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.52 3hjb n ASN 365 N -2.75 1.89 0.00 7.04 3.02 -1.26 -4.93 115.26 118.27 3hjb n ASN 365 Ca -0.01 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 3hjb n ASN 365 Cb 0.15 -0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 0.62 3.78 7.41 0.00 0.07 -5.06 105.19 113.20 3hjb n GLY 366 Ca 0.17 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.22 5.93 0.35 1.61 0.01 -1.25 -4.82 114.94 114.55 3hjb s ASN 367 Ca 0.00 0.30 -0.29 0.00 -0.71 0.00 0.00 52.86 52.17 3hjb s ASN 367 Cb 0.00 -1.88 -0.11 0.00 0.41 0.00 0.00 41.25 39.66 3hjb s ASN 367 CO 0.00 0.35 1.51 -0.81 -1.51 0.00 0.00 177.10 176.64 3hjb n PRO 368 N 2.36 2.65 -1.66 -0.60 -0.04 -1.26 -0.34 135.00 136.10 3hjb n PRO 368 Ca -0.19 0.93 -0.32 0.00 -0.04 0.00 0.00 63.50 63.88 3hjb n PRO 368 Cb 0.54 -2.67 0.05 0.00 -0.04 0.00 0.00 33.50 31.38 3hjb n PRO 368 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hjb s VAL 369 N -0.73 3.43 -0.15 0.52 -7.23 -0.58 -4.80 120.40 110.86 3hjb s VAL 369 Ca 0.57 0.59 0.15 0.00 -1.81 0.00 0.00 61.98 61.49 3hjb s VAL 369 Cb -0.49 -3.13 0.34 0.00 0.56 0.00 0.00 36.38 33.66 3hjb s VAL 369 CO 0.58 -0.48 1.17 0.35 -0.31 0.00 0.00 175.10 176.42 3hjb n THR 370 N -2.70 1.87 -3.90 5.32 -2.24 -1.26 -5.01 114.28 106.36 3hjb n THR 370 Ca 0.09 -2.54 -0.09 0.00 -2.27 0.00 0.00 64.05 59.24 3hjb n THR 370 Cb 0.53 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.54 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 -2.79 0.23 0.25 4.78 -0.85 -1.26 -5.14 117.35 112.56 3hjb s TYR 371 Ca 0.33 -0.58 -0.30 0.00 -0.52 0.00 0.00 57.07 56.00 3hjb s TYR 371 Cb 0.31 0.14 -0.09 0.00 0.38 0.00 0.00 41.96 42.70 3hjb s TYR 371 CO -0.02 -0.84 1.07 -0.65 -1.52 0.00 0.00 175.55 173.59 3hjb s GLN 372 N -3.95 4.67 0.00 -3.49 -1.52 -1.26 -5.05 119.66 109.06 3hjb s GLN 372 Ca 0.16 1.73 0.00 0.00 -1.95 0.00 0.00 55.36 55.30 3hjb s GLN 372 Cb 0.01 -3.22 0.00 0.00 -0.22 0.00 0.00 33.01 29.58 3hjb s GLN 372 CO 0.01 0.24 0.00 0.25 -0.25 0.00 0.00 175.29 175.54 3hjb n THR 373 N 1.50 0.00 -1.69 -0.19 -2.24 -1.26 -4.88 114.28 105.53 3hjb n THR 373 Ca -0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 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 0.39 3.94 3.38 0.00 -0.35 -5.00 105.19 112.55 3hjb n GLY 374 Ca 0.00 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.28 2.34 -0.12 1.61 0.04 -1.26 -4.81 135.00 130.53 3hjb s PRO 375 Ca 0.63 -0.33 -0.27 0.00 0.04 0.00 0.00 61.00 61.07 3hjb s PRO 375 Cb -0.50 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.78 3hjb s PRO 375 CO 0.56 -1.08 0.89 0.42 0.04 0.00 0.00 177.00 177.83 3hjb s ILE 376 N -3.12 4.87 -0.14 0.56 1.01 -0.16 -4.69 121.20 119.52 3hjb s ILE 376 Ca 0.59 1.79 -0.08 0.00 0.00 0.00 0.00 60.65 62.95 3hjb s ILE 376 Cb -0.11 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 3hjb s ILE 376 CO 0.43 0.06 0.13 -0.63 0.00 0.00 0.00 174.94 174.93 3hjb s ILE 377 N 1.84 5.42 0.33 2.92 -1.09 -1.26 -0.63 121.20 128.72 3hjb s ILE 377 Ca 0.43 0.18 -0.15 0.00 -2.23 0.00 0.00 60.65 58.87 3hjb s ILE 377 Cb -0.18 -3.39 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 3hjb s ILE 377 CO 0.16 0.56 0.69 -1.66 -1.23 0.00 0.00 174.94 173.46 3hjb s TRP 378 N -0.57 0.17 0.00 3.97 1.48 -0.96 -4.79 118.94 118.25 3hjb s TRP 378 Ca 0.12 -0.68 0.00 0.00 -1.06 0.00 0.00 56.10 54.48 3hjb s TRP 378 Cb -0.12 0.60 0.00 0.00 -1.16 0.00 0.00 33.47 32.80 3hjb s TRP 378 CO 0.02 -1.34 0.00 0.41 -4.06 0.00 0.00 176.95 171.98 3hjb n GLY 379 N -0.49 3.57 3.06 3.67 0.00 -1.26 -0.99 105.19 112.74 3hjb n GLY 379 Ca -0.05 -1.37 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.42 0.52 0.56 1.61 0.41 -1.25 -4.84 118.70 113.28 3hjb s GLU 380 Ca 0.00 -0.85 -0.20 0.00 -0.41 0.00 0.00 54.97 53.51 3hjb s GLU 380 Cb 0.00 -0.10 -0.04 0.00 -1.78 0.00 0.00 34.13 32.20 3hjb s GLU 380 CO 0.00 -0.01 1.27 -1.25 -0.49 0.00 0.00 175.26 174.78 3hjb s PRO 381 N -2.12 3.11 0.39 0.39 0.04 -1.26 -4.33 135.00 131.22 3hjb s PRO 381 Ca -0.07 2.01 -0.21 0.00 0.04 0.00 0.00 61.00 62.77 3hjb s PRO 381 Cb -0.06 -2.12 -0.10 0.00 0.04 0.00 0.00 34.50 32.26 3hjb s PRO 381 CO -0.02 -1.14 0.91 0.20 0.04 0.00 0.00 177.00 176.98 3hjb s GLY 382 N -1.28 2.44 0.00 0.56 0.00 0.05 -1.24 107.32 107.85 3hjb s GLY 382 Ca 0.74 0.35 0.23 0.00 0.00 0.00 0.00 44.72 46.04 3hjb s GLY 382 CO 0.40 0.64 1.74 -1.30 0.00 0.00 0.00 173.10 174.58 3hjb n THR 383 N -0.38 0.08 0.12 0.90 -2.24 -1.26 -3.63 114.28 107.86 3hjb n THR 383 Ca 0.05 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 3hjb n THR 383 Cb 0.53 0.08 -0.06 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.28 -0.78 -0.15 3.42 2.35 -1.62 -2.09 115.58 118.00 3hjb h ASN 384 Ca 0.00 0.09 -0.05 0.00 -0.55 0.00 0.00 56.30 55.79 3hjb h ASN 384 Cb 0.28 0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 3hjb h ASN 384 CO 0.00 -0.37 -0.05 1.23 -1.65 0.00 0.00 177.43 176.60 3hjb h GLY 385 N -0.49 0.47 0.58 2.83 0.00 -1.37 -2.07 103.07 103.02 3hjb h GLY 385 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 47.33 47.18 3hjb h GLY 385 CO -0.15 0.26 0.62 -1.61 0.00 0.00 0.00 176.54 175.66 3hjb h GLN 386 N 0.41 0.97 -0.33 4.80 4.15 -1.63 -1.16 115.11 122.33 3hjb h GLN 386 Ca 0.09 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.45 3hjb h GLN 386 Cb 0.35 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3hjb h GLN 386 CO 0.01 0.64 0.00 0.72 -1.93 0.00 0.00 178.83 178.28 3hjb n HIS 387 N -4.57 0.43 -0.03 3.99 8.25 -0.79 -3.81 115.22 118.68 3hjb n HIS 387 Ca 0.17 -0.21 -0.05 0.00 -0.26 0.00 0.00 57.72 57.37 3hjb n HIS 387 Cb 0.31 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 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 0.65 1.70 -0.31 -1.41 0.00 -0.53 -4.95 120.51 115.66 3hjb n ALA 388 Ca 0.15 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3hjb n ALA 388 Cb 0.37 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.93 0.00 0.28 0.00 1.16 -0.67 -4.72 117.46 109.59 3hjb n PHE 389 Ca -0.08 -0.07 0.15 0.00 -1.87 0.00 0.00 57.45 55.59 3hjb n PHE 389 Cb 0.28 -0.01 0.84 0.00 -1.61 0.00 0.00 39.48 38.98 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 -0.77 2.97 -1.99 -1.66 -1.83 116.97 113.69 3hjb h TYR 390 Ca 0.00 0.00 0.18 0.00 2.00 0.00 0.00 58.73 60.91 3hjb h TYR 390 Cb 0.26 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 38.86 3hjb h TYR 390 CO 0.00 0.07 0.12 0.37 -0.00 0.00 0.00 178.16 178.71 3hjb h GLN 391 N 0.00 0.18 -0.18 4.88 5.75 -1.84 0.45 115.11 124.35 3hjb h GLN 391 Ca -0.00 -0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.33 3hjb h GLN 391 Cb 0.23 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 3hjb h GLN 391 CO 0.01 0.12 -0.56 1.25 -2.65 0.00 0.00 178.83 177.00 3hjb h LEU 392 N 0.19 0.60 -0.51 -2.39 6.46 -1.69 0.60 115.31 118.55 3hjb h LEU 392 Ca 0.44 -0.32 -0.05 0.00 -0.12 0.00 0.00 57.88 57.83 3hjb h LEU 392 Cb 0.80 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 3hjb h LEU 392 CO -0.60 1.03 0.13 0.40 -0.62 0.00 0.00 178.44 178.78 3hjb h ILE 393 N 0.41 1.24 -0.04 4.05 2.04 -1.23 0.25 117.51 124.23 3hjb h ILE 393 Ca 0.01 -0.85 -0.25 0.00 1.00 0.00 0.00 64.86 64.76 3hjb h ILE 393 Cb 1.10 0.81 0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3hjb h ILE 393 CO 0.10 0.31 -0.96 0.45 0.00 0.00 0.00 178.15 178.05 3hjb h HIS 394 N 0.71 1.03 0.00 1.37 3.86 -0.88 -3.40 115.15 117.83 3hjb h HIS 394 Ca 0.16 -0.53 0.00 0.00 -1.16 0.00 0.00 60.37 58.84 3hjb h HIS 394 Cb 0.33 -0.13 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3hjb h HIS 394 CO 0.02 1.36 -0.20 1.04 0.86 0.00 0.00 177.93 181.02 3hjb n GLN 395 N -3.87 0.77 -0.15 2.45 6.02 0.19 -4.65 117.38 118.15 3hjb n GLN 395 Ca -0.10 -1.43 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 3hjb n GLN 395 Cb 0.84 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 31.25 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 -0.48 0.26 0.30 1.08 0.00 0.07 -4.94 105.19 101.49 3hjb n GLY 396 Ca 0.05 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.57 1.28 -4.80 2.61 -2.24 -1.26 -5.00 114.28 104.30 3hjb n THR 397 Ca 0.00 -1.29 -0.33 0.00 -2.27 0.00 0.00 64.05 60.16 3hjb n THR 397 Cb 0.00 0.30 -0.12 0.00 -2.10 0.00 0.00 70.33 68.41 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 -1.49 2.54 -0.19 -0.78 3.01 -1.26 -5.11 119.74 116.46 3hjb s LYS 398 Ca 0.17 -0.68 -0.22 0.00 -1.01 0.00 0.00 55.97 54.22 3hjb s LYS 398 Cb 0.12 -2.42 -0.02 0.00 -1.01 0.00 0.00 37.83 34.49 3hjb s LYS 398 CO 0.06 0.63 0.71 -1.17 0.51 0.00 0.00 175.35 176.09 3hjb s LEU 399 N -0.82 4.16 -0.40 3.17 2.96 -1.26 -4.92 118.68 121.57 3hjb s LEU 399 Ca 0.12 0.97 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 3hjb s LEU 399 Cb -0.11 -3.02 0.13 0.00 0.50 0.00 0.00 46.19 43.70 3hjb s LEU 399 CO 0.01 -0.32 0.22 -0.63 -1.32 0.00 0.00 176.35 174.31 3hjb s ILE 400 N 1.98 0.95 0.34 6.68 1.01 -1.26 -4.56 121.20 126.34 3hjb s ILE 400 Ca 0.32 -2.18 -0.29 0.00 0.00 0.00 0.00 60.65 58.51 3hjb s ILE 400 Cb -0.16 -1.67 -0.12 0.00 0.01 0.00 0.00 42.46 40.52 3hjb s ILE 400 CO 0.11 -0.91 1.42 -2.65 0.00 0.00 0.00 174.94 172.92 3hjb n PRO 401 N 3.81 2.40 -4.74 2.79 -0.02 -1.26 -4.78 135.00 133.21 3hjb n PRO 401 Ca 0.09 0.85 -0.25 0.00 -2.02 0.00 0.00 63.50 62.17 3hjb n PRO 401 Cb 0.36 -2.52 -0.16 0.00 -0.02 0.00 0.00 33.50 31.16 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 0.04 5.87 -0.18 0.00 1.11 -0.02 -1.06 116.67 122.44 3hjb s ASP 403 Ca -0.03 -0.97 -0.17 0.00 0.18 0.00 0.00 52.55 51.56 3hjb s ASP 403 Cb -0.11 -2.07 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 3hjb s ASP 403 CO 0.02 -0.41 0.45 -0.36 1.18 0.00 0.00 175.17 176.04 3hjb s PHE 404 N 1.60 3.42 -0.04 4.23 0.40 -0.09 -0.43 117.98 127.06 3hjb s PHE 404 Ca 0.03 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.13 3hjb s PHE 404 Cb -0.19 -2.56 -0.00 0.00 0.51 0.00 0.00 43.02 40.78 3hjb s PHE 404 CO 0.08 0.03 -0.15 0.42 0.70 0.00 0.00 175.22 176.29 3hjb s ILE 405 N 1.17 1.28 -0.05 0.64 1.01 -0.94 -0.40 121.20 123.91 3hjb s ILE 405 Ca 0.22 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 3hjb s ILE 405 Cb -0.15 -1.10 0.06 0.00 0.01 0.00 0.00 42.46 41.28 3hjb s ILE 405 CO 0.09 0.37 0.57 0.00 0.00 0.00 0.00 174.94 175.97 3hjb s ALA 406 N 0.06 -1.48 0.11 9.38 0.00 -0.51 0.11 121.76 129.44 3hjb s ALA 406 Ca -0.03 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 52.84 3hjb s ALA 406 Cb -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 3hjb s ALA 406 CO 0.02 -0.34 0.49 -1.25 0.00 0.00 0.00 175.76 174.68 3hjb s PRO 407 N -1.18 3.91 0.33 0.00 0.04 -1.26 -1.21 135.00 135.64 3hjb s PRO 407 Ca -0.11 0.40 0.14 0.00 0.04 0.00 0.00 61.00 61.46 3hjb s PRO 407 Cb -0.02 -2.98 0.56 0.00 0.04 0.00 0.00 34.50 32.10 3hjb s PRO 407 CO 0.08 0.53 1.70 0.00 0.04 0.00 0.00 177.00 179.35 3hjb h ALA 408 N 3.72 1.06 -3.20 8.56 0.00 -0.06 -3.43 119.26 125.92 3hjb h ALA 408 Ca -0.49 -0.44 -0.62 0.00 0.00 0.00 0.00 54.91 53.37 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 0.60 -0.84 0.08 0.00 0.00 0.00 179.25 179.74 3hjb s VAL 409 N -3.73 1.69 0.52 0.00 1.01 -0.37 -5.04 120.40 114.49 3hjb s VAL 409 Ca -0.01 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.06 3hjb s VAL 409 Cb 0.12 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.90 3hjb s VAL 409 CO 0.73 0.48 1.00 -0.55 0.00 0.00 0.00 175.10 176.75 3hjb s SER 410 N 1.09 6.49 0.00 3.32 0.15 -1.26 -4.58 113.70 118.91 3hjb s SER 410 Ca -0.03 1.62 0.29 0.00 0.70 0.00 0.00 55.95 58.53 3hjb s SER 410 Cb -0.14 -2.52 1.19 0.00 -1.71 0.00 0.00 66.02 62.84 3hjb s SER 410 CO -0.05 -0.68 1.87 1.41 1.20 0.00 0.00 173.24 177.00 3hjb n HIS 411 N -1.61 0.00 -4.60 3.44 8.25 -1.26 -4.74 115.22 114.70 3hjb n HIS 411 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 3hjb n HIS 411 Cb 0.54 -0.39 -0.17 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.87 2.74 -0.52 0.41 0.01 -1.26 -5.08 114.94 108.38 3hjb s ASN 412 Ca 0.18 -0.51 -0.20 0.00 -0.71 0.00 0.00 52.86 51.63 3hjb s ASN 412 Cb 0.19 -1.25 0.06 0.00 0.41 0.00 0.00 41.25 40.66 3hjb s ASN 412 CO 0.54 0.05 0.67 -0.22 -1.51 0.00 0.00 177.10 176.63 3hjb s LEU 413 N 0.87 4.90 -0.34 0.60 0.20 -1.26 -4.97 118.68 118.67 3hjb s LEU 413 Ca -0.08 -0.89 -0.01 0.00 0.69 0.00 0.00 54.13 53.84 3hjb s LEU 413 Cb -0.15 -2.48 0.12 0.00 -0.43 0.00 0.00 46.19 43.25 3hjb s LEU 413 CO -0.01 -0.95 0.17 -0.69 -0.29 0.00 0.00 176.35 174.58 3hjb s VAL 414 N 2.79 0.38 0.00 1.68 1.01 -1.26 -5.11 120.40 119.90 3hjb s VAL 414 Ca 0.17 -1.50 0.00 0.00 0.00 0.00 0.00 61.98 60.64 3hjb s VAL 414 Cb -0.19 -1.29 0.00 0.00 0.00 0.00 0.00 36.38 34.90 3hjb s VAL 414 CO 0.12 -0.85 0.00 0.61 0.00 0.00 0.00 175.10 174.98 3hjb n GLY 415 N 4.45 2.58 1.51 4.51 0.00 -1.26 -1.78 105.19 115.21 3hjb n GLY 415 Ca 0.04 -0.06 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 1.30 5.01 -0.29 1.61 5.68 -1.26 -4.66 116.55 123.95 3hjb n ASP 416 Ca 0.00 -2.93 0.02 0.00 -0.50 0.00 0.00 54.79 51.38 3hjb n ASP 416 Cb 0.00 -0.63 0.16 0.00 -1.14 0.00 0.00 41.12 39.51 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 3.20 0.84 -0.26 2.11 3.86 -1.78 -2.10 115.15 121.01 3hjb h HIS 417 Ca 0.00 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.10 3hjb h HIS 417 Cb 1.76 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 3hjb h HIS 417 CO 0.86 0.35 -0.41 1.25 0.86 0.00 0.00 177.93 180.83 3hjb h HIS 418 N 0.78 0.76 -0.73 2.45 -0.00 -1.83 0.11 115.15 116.68 3hjb h HIS 418 Ca 0.39 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.47 3hjb h HIS 418 Cb 0.34 -0.16 -0.03 0.00 -0.00 0.00 0.00 27.41 27.56 3hjb h HIS 418 CO -0.06 0.94 0.21 1.96 -0.00 0.00 0.00 177.93 180.99 3hjb h GLN 419 N 0.52 1.15 -0.26 5.26 4.20 -1.83 0.42 115.11 124.57 3hjb h GLN 419 Ca 0.04 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 3hjb h GLN 419 Cb 0.94 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3hjb h GLN 419 CO 0.08 0.98 0.10 0.87 -0.67 0.00 0.00 178.83 180.19 3hjb h LYS 420 N 1.10 0.39 -0.25 1.46 1.57 -1.08 0.05 116.57 119.81 3hjb h LYS 420 Ca 0.24 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3hjb h LYS 420 Cb 0.33 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.54 3hjb h LYS 420 CO -0.00 0.43 -0.00 1.25 -0.57 0.00 0.00 179.45 180.56 3hjb h LEU 421 N 0.26 -0.10 -1.09 2.94 5.85 -0.72 -2.71 115.31 119.74 3hjb h LEU 421 Ca 0.08 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.77 3hjb h LEU 421 Cb 0.20 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3hjb h LEU 421 CO -0.01 -0.02 -0.29 0.24 -0.34 0.00 0.00 178.44 178.03 3hjb h MET 422 N 0.08 0.28 -0.64 1.25 2.86 -0.74 -2.16 114.93 115.86 3hjb h MET 422 Ca 0.12 -0.10 0.05 0.00 -2.06 0.00 0.00 59.70 57.70 3hjb h MET 422 Cb 0.15 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 3hjb h MET 422 CO -0.20 0.55 0.42 0.66 1.06 0.00 0.00 176.91 179.40 3hjb h SER 423 N 0.25 0.60 -0.14 1.22 4.64 -0.66 -1.41 113.55 118.05 3hjb h SER 423 Ca 0.04 -0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 3hjb h SER 423 Cb 0.64 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3hjb h SER 423 CO 0.05 0.41 -0.40 0.78 -0.87 0.00 0.00 176.83 176.79 3hjb h ASN 424 N 0.69 0.59 -0.48 4.97 2.35 -1.24 -1.68 115.58 120.78 3hjb h ASN 424 Ca 0.26 -0.59 0.08 0.00 -0.55 0.00 0.00 56.30 55.50 3hjb h ASN 424 Cb 0.17 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3hjb h ASN 424 CO -0.08 1.08 0.12 0.15 -1.65 0.00 0.00 177.43 177.05 3hjb h PHE 425 N 0.13 0.19 -0.13 1.19 3.57 -0.79 -0.60 116.94 120.50 3hjb h PHE 425 Ca -0.01 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 3hjb h PHE 425 Cb 1.02 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3hjb h PHE 425 CO 0.10 0.02 -0.46 0.74 -2.23 0.00 0.00 178.31 176.49 3hjb h PHE 426 N 0.26 0.72 -0.52 0.41 0.04 -1.33 -3.33 116.94 113.19 3hjb h PHE 426 Ca 0.24 -0.30 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 3hjb h PHE 426 Cb 0.30 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3hjb h PHE 426 CO -0.21 1.06 -0.02 0.00 -0.60 0.00 0.00 178.31 178.55 3hjb h ALA 427 N 0.51 0.99 -0.66 2.45 0.00 -1.08 -2.87 119.26 118.61 3hjb h ALA 427 Ca -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.55 3hjb h ALA 427 Cb 1.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3hjb h ALA 427 CO 0.10 0.61 0.23 1.96 0.00 0.00 0.00 179.25 182.15 3hjb h GLN 428 N 0.82 1.00 -0.17 0.00 1.08 -1.22 0.91 115.11 117.53 3hjb h GLN 428 Ca 0.15 -0.20 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 3hjb h GLN 428 Cb 0.52 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.78 3hjb h GLN 428 CO 0.03 0.86 -0.52 1.79 -0.95 0.00 0.00 178.83 180.03 3hjb h THR 429 N 0.94 1.33 -0.21 -0.54 1.35 -1.65 -0.10 112.91 114.02 3hjb h THR 429 Ca 0.21 -1.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3hjb h THR 429 Cb 0.25 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3hjb h THR 429 CO -0.01 0.54 0.12 -0.08 -0.25 0.00 0.00 175.52 175.84 3hjb h GLU 430 N 0.36 0.29 -0.17 4.72 4.81 -1.26 -1.24 114.58 122.10 3hjb h GLU 430 Ca 0.01 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3hjb h GLU 430 Cb 1.04 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 3hjb h GLU 430 CO 0.09 0.27 0.10 0.00 -0.73 0.00 0.00 179.01 178.74 3hjb h ALA 431 N 1.01 0.21 -0.89 2.92 0.00 -0.61 -1.81 119.26 120.08 3hjb h ALA 431 Ca 0.07 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.97 3hjb h ALA 431 Cb 0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3hjb h ALA 431 CO -0.01 -0.27 0.58 -0.07 0.00 0.00 0.00 179.25 179.48 3hjb h LEU 432 N 0.19 0.98 -0.04 0.00 3.38 -0.90 -0.60 115.31 118.30 3hjb h LEU 432 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3hjb h LEU 432 Cb 0.04 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hjb h LEU 432 CO -0.01 0.68 -0.21 0.00 0.09 0.00 0.00 178.44 178.99 3hjb h ALA 433 N 1.36 0.08 0.00 1.53 0.00 -1.06 -1.35 119.26 119.82 3hjb h ALA 433 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hjb h ALA 433 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hjb h ALA 433 CO -0.10 0.06 -1.74 1.19 0.00 0.00 0.00 179.25 178.66 3hjb n PHE 434 N -4.54 0.00 -4.88 0.00 3.72 -0.70 -0.99 117.46 110.07 3hjb n PHE 434 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3hjb n PHE 434 Cb 0.44 -0.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.51 0.76 3.54 1.37 0.00 -0.24 -4.67 105.19 107.46 3hjb n GLY 435 Ca -0.03 -0.77 -0.05 0.00 0.00 0.00 0.00 46.02 45.17 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 0.55 0.75 1.61 2.20 -0.10 -4.93 119.74 119.82 3hjb s LYS 436 Ca 0.00 1.25 -0.12 0.00 -0.36 0.00 0.00 55.97 56.74 3hjb s LYS 436 Cb 0.00 0.49 0.04 0.00 -1.51 0.00 0.00 37.83 36.85 3hjb s LYS 436 CO 0.00 -0.19 1.11 -1.54 -0.36 0.00 0.00 175.35 174.37 3hjb s SER 437 N 2.36 4.97 0.28 1.43 1.04 -1.26 -1.32 113.70 121.19 3hjb s SER 437 Ca -0.07 1.14 -0.03 0.00 0.48 0.00 0.00 55.95 57.47 3hjb s SER 437 Cb -0.10 -1.88 0.38 0.00 0.10 0.00 0.00 66.02 64.52 3hjb s SER 437 CO -0.17 -1.65 1.95 0.00 0.98 0.00 0.00 173.24 174.35 3hjb h ALA 438 N -0.87 1.36 -0.59 5.32 0.00 -1.94 -1.19 119.26 121.36 3hjb h ALA 438 Ca -0.46 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3hjb h ALA 438 Cb 1.27 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3hjb h ALA 438 CO 0.63 0.59 0.38 1.96 0.00 0.00 0.00 179.25 182.80 3hjb h GLN 439 N 1.20 0.73 -0.52 0.00 4.20 -1.99 0.62 115.11 119.36 3hjb h GLN 439 Ca 0.32 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.87 3hjb h GLN 439 Cb -0.14 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.46 3hjb h GLN 439 CO -0.07 0.49 -0.15 0.00 -0.67 0.00 0.00 178.83 178.42 3hjb h ALA 440 N 1.24 0.75 -0.43 3.87 0.00 -1.81 -2.03 119.26 120.84 3hjb h ALA 440 Ca 0.23 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 3hjb h ALA 440 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hjb h ALA 440 CO -0.07 0.67 0.02 0.28 0.00 0.00 0.00 179.25 180.14 3hjb h VAL 441 N 0.88 1.26 -0.65 0.00 2.07 -0.90 -2.24 116.25 116.67 3hjb h VAL 441 Ca 0.13 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3hjb h VAL 441 Cb 0.72 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3hjb h VAL 441 CO 0.06 0.34 0.43 -0.61 0.02 0.00 0.00 177.57 177.81 3hjb h GLN 442 N 0.60 0.85 -0.57 1.57 4.15 -0.75 -1.36 115.11 119.60 3hjb h GLN 442 Ca 0.12 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.50 3hjb h GLN 442 Cb 0.47 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.94 3hjb h GLN 442 CO 0.02 0.56 0.37 0.00 -1.93 0.00 0.00 178.83 177.85 3hjb h ALA 443 N 1.24 0.72 -0.25 3.38 0.00 -1.24 -0.49 119.26 122.61 3hjb h ALA 443 Ca 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 3hjb h ALA 443 Cb -0.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3hjb h ALA 443 CO -0.05 0.17 0.15 0.93 0.00 0.00 0.00 179.25 180.44 3hjb h GLU 444 N 0.77 0.34 -0.39 0.00 5.08 -0.93 -2.12 114.58 117.33 3hjb h GLU 444 Ca 0.21 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3hjb h GLU 444 Cb -0.08 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 3hjb h GLU 444 CO -0.04 0.27 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.07 3hjb h LEU 445 N 0.32 0.65 -0.65 1.33 3.38 -1.02 -1.80 115.31 117.52 3hjb h LEU 445 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hjb h LEU 445 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3hjb h LEU 445 CO -0.02 0.78 0.30 -0.33 0.09 0.00 0.00 178.44 179.26 3hjb h GLU 446 N 0.62 0.94 -0.10 1.13 5.08 -0.95 -2.48 114.58 118.82 3hjb h GLU 446 Ca 0.11 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 3hjb h GLU 446 Cb 0.52 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3hjb h GLU 446 CO 0.03 0.76 -0.25 -0.22 -1.00 0.00 0.00 179.01 178.33 3hjb h LYS 447 N 0.90 0.17 0.00 2.33 3.64 -0.99 -2.41 116.57 120.20 3hjb h LYS 447 Ca 0.22 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 3hjb h LYS 447 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3hjb h LYS 447 CO -0.03 0.41 0.00 0.00 -2.27 0.00 0.00 179.45 177.57 3hjb n ALA 448 N -2.48 2.40 -0.68 5.00 0.00 -0.71 -4.91 120.51 119.12 3hjb n ALA 448 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3hjb n ALA 448 Cb 0.34 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 0.91 0.61 3.78 0.00 0.00 -0.91 -5.05 105.19 104.53 3hjb n GLY 449 Ca 0.15 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.99 3.56 0.75 1.61 -0.14 -0.97 -5.03 119.74 118.54 3hjb s LYS 450 Ca 0.00 1.55 -0.11 0.00 -1.36 0.00 0.00 55.97 56.05 3hjb s LYS 450 Cb 0.00 -2.10 0.04 0.00 -1.68 0.00 0.00 37.83 34.09 3hjb s LYS 450 CO 0.00 -0.66 1.08 -1.54 -0.76 0.00 0.00 175.35 173.47 3hjb s SER 451 N -1.78 4.92 0.23 2.83 1.04 -1.26 -4.77 113.70 114.91 3hjb s SER 451 Ca 0.70 1.46 -0.07 0.00 0.48 0.00 0.00 55.95 58.52 3hjb s SER 451 Cb -0.22 -2.26 0.32 0.00 0.10 0.00 0.00 66.02 63.96 3hjb s SER 451 CO 0.26 -1.72 1.82 0.00 0.98 0.00 0.00 173.24 174.58 3hjb h ALA 452 N -0.91 1.06 -0.55 5.32 0.00 -1.99 -0.03 119.26 122.15 3hjb h ALA 452 Ca -0.45 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 3hjb h ALA 452 Cb 1.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3hjb h ALA 452 CO 0.58 0.11 -0.09 0.00 0.00 0.00 0.00 179.25 179.84 3hjb h ALA 453 N 1.40 0.79 -0.71 0.00 0.00 -1.99 -1.19 119.26 117.56 3hjb h ALA 453 Ca 0.35 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hjb h ALA 453 Cb 0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3hjb h ALA 453 CO -0.21 0.67 0.31 0.93 0.00 0.00 0.00 179.25 180.95 3hjb h GLU 454 N 0.92 1.04 -0.04 0.00 5.08 -1.71 -1.71 114.58 118.16 3hjb h GLU 454 Ca 0.15 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hjb h GLU 454 Cb 0.66 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 3hjb h GLU 454 CO 0.05 0.85 0.01 0.82 -1.00 0.00 0.00 179.01 179.73 3hjb h ILE 455 N 1.00 1.18 -0.93 3.13 2.04 -0.84 -2.24 117.51 120.86 3hjb h ILE 455 Ca 0.24 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3hjb h ILE 455 Cb 0.17 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.65 3hjb h ILE 455 CO -0.02 0.15 0.61 0.00 0.00 0.00 0.00 178.15 178.88 3hjb h ALA 456 N 0.80 1.44 0.00 1.87 0.00 -1.09 -0.32 119.26 121.96 3hjb h ALA 456 Ca 0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3hjb h ALA 456 Cb 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3hjb h ALA 456 CO -0.00 0.45 -0.51 0.00 0.00 0.00 0.00 179.25 179.19 3hjb h ALA 457 N 1.47 1.15 0.00 0.00 0.00 -1.15 -3.36 119.26 117.37 3hjb h ALA 457 Ca 0.39 -0.46 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 3hjb h ALA 457 Cb 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3hjb h ALA 457 CO -0.13 0.63 -2.38 -0.11 0.00 0.00 0.00 179.25 177.26 3hjb n LEU 458 N -3.92 0.82 -0.25 0.00 7.94 -0.86 -4.66 117.00 116.08 3hjb n LEU 458 Ca -0.01 -0.02 0.01 0.00 -1.11 0.00 0.00 56.01 54.88 3hjb n LEU 458 Cb 0.52 0.11 0.08 0.00 0.53 0.00 0.00 43.42 44.66 3hjb n LEU 458 CO 0.40 0.61 0.71 0.58 -1.11 0.00 0.00 177.39 178.58 3hjb h VAL 459 N 0.00 0.25 -0.09 1.96 2.07 -1.22 -1.29 116.25 117.92 3hjb h VAL 459 Ca -0.55 0.00 0.02 0.00 0.82 0.00 0.00 66.70 66.99 3hjb h VAL 459 Cb 2.15 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 3hjb h VAL 459 CO 0.00 0.00 0.06 1.55 0.02 0.00 0.00 177.57 179.21 3hjb h PRO 460 N -0.01 0.03 0.00 1.57 0.13 -1.83 -1.34 132.00 130.55 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 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.67 3hjb h PRO 460 CO -0.76 0.02 0.00 0.74 -0.23 0.00 0.00 178.00 177.77 3hjb h PHE 461 N 0.03 0.00 -0.03 1.56 0.04 -1.54 -3.14 116.94 113.87 3hjb h PHE 461 Ca 0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3hjb h PHE 461 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 3hjb h PHE 461 CO -0.00 0.00 -0.08 1.63 -0.60 0.00 0.00 178.31 179.26 3hjb n LYS 462 N -3.04 2.15 -2.69 1.51 5.02 -0.52 -4.95 118.16 115.65 3hjb n LYS 462 Ca 0.02 -1.78 -0.40 0.00 -2.02 0.00 0.00 58.31 54.12 3hjb n LYS 462 Cb 0.39 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.08 4.07 -0.28 -0.18 1.01 -1.13 -4.95 120.40 116.87 3hjb s VAL 463 Ca 0.26 1.96 -0.02 0.00 0.00 0.00 0.00 61.98 64.19 3hjb s VAL 463 Cb 0.20 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.36 3hjb s VAL 463 CO 0.34 0.42 -0.02 -0.36 0.00 0.00 0.00 175.10 175.48 3hjb s PHE 464 N -0.82 3.18 0.29 5.22 0.08 -0.44 -4.96 117.98 120.52 3hjb s PHE 464 Ca 0.44 -1.70 0.25 0.00 0.12 0.00 0.00 56.93 56.04 3hjb s PHE 464 Cb -0.27 -2.10 1.16 0.00 -0.57 0.00 0.00 43.02 41.24 3hjb s PHE 464 CO 0.33 -0.76 1.94 0.93 -0.10 0.00 0.00 175.22 177.56 3hjb h GLU 465 N 8.02 0.00 0.00 0.44 5.08 -1.82 -0.23 114.58 126.07 3hjb h GLU 465 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hjb h GLU 465 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hjb h GLU 465 CO 0.55 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.17 3hjb n GLY 466 N -0.28 0.05 2.41 -3.84 0.00 -1.26 -4.71 105.19 97.56 3hjb n GLY 466 Ca -0.01 -0.96 -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 -1.37 -5.40 -4.49 1.61 3.02 -0.16 -4.94 115.26 103.53 3hjb n ASN 467 Ca 0.00 0.11 -0.43 0.00 -0.03 0.00 0.00 54.58 54.23 3hjb n ASN 467 Cb 0.00 -4.48 -0.08 0.00 -0.61 0.00 0.00 39.78 34.61 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 -4.59 3.13 0.34 3.52 3.00 -0.54 -5.00 118.95 118.81 3hjb s ARG 468 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 55.73 54.81 3hjb s ARG 468 Cb 0.00 -3.96 -0.10 0.00 0.00 0.00 0.00 34.95 30.89 3hjb s ARG 468 CO 0.00 -0.86 0.88 -1.25 0.00 0.00 0.00 175.30 174.07 3hjb s PRO 469 N 2.22 4.35 0.05 3.54 0.04 -1.26 -3.51 135.00 140.43 3hjb s PRO 469 Ca 0.13 1.11 -0.06 0.00 0.04 0.00 0.00 61.00 62.22 3hjb s PRO 469 Cb -0.17 -2.59 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 3hjb s PRO 469 CO 0.14 0.20 0.12 0.95 0.04 0.00 0.00 177.00 178.44 3hjb s THR 470 N -1.81 0.14 -0.01 1.26 -4.23 -0.47 -2.73 115.64 107.79 3hjb s THR 470 Ca 0.53 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 3hjb s THR 470 Cb -0.14 -1.02 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 3hjb s THR 470 CO 0.19 -0.62 -0.01 0.20 -0.54 0.00 0.00 174.62 173.84 3hjb s ASN 471 N -2.29 5.08 -0.17 3.99 0.01 -0.23 -3.99 114.94 117.34 3hjb s ASN 471 Ca -0.02 -0.01 0.01 0.00 -0.71 0.00 0.00 52.86 52.13 3hjb s ASN 471 Cb 0.01 -1.32 0.02 0.00 0.41 0.00 0.00 41.25 40.36 3hjb s ASN 471 CO -0.06 0.29 -0.20 -0.44 -1.51 0.00 0.00 177.10 175.18 3hjb s SER 472 N -1.48 3.09 -0.28 -1.22 0.01 -0.33 -0.92 113.70 112.57 3hjb s SER 472 Ca 0.19 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 56.77 3hjb s SER 472 Cb -0.11 -1.45 0.02 0.00 0.21 0.00 0.00 66.02 64.69 3hjb s SER 472 CO 0.09 0.01 0.03 -0.63 0.41 0.00 0.00 173.24 173.16 3hjb s ILE 473 N 1.20 3.53 -0.20 1.44 1.01 0.46 -0.43 121.20 128.21 3hjb s ILE 473 Ca 0.02 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.75 3hjb s ILE 473 Cb -0.14 -2.84 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3hjb s ILE 473 CO -0.10 0.08 -0.05 -0.22 0.00 0.00 0.00 174.94 174.64 3hjb s LEU 474 N 1.42 2.94 0.06 2.97 2.96 -0.07 -1.42 118.68 127.54 3hjb s LEU 474 Ca 0.01 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.64 3hjb s LEU 474 Cb -0.17 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3hjb s LEU 474 CO 0.00 0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.29 3hjb s VAL 475 N 1.13 3.44 0.13 1.68 1.01 -0.35 -0.54 120.40 126.91 3hjb s VAL 475 Ca 0.02 -1.07 -0.19 0.00 0.00 0.00 0.00 61.98 60.74 3hjb s VAL 475 Cb -0.15 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3hjb s VAL 475 CO -0.01 0.24 1.75 0.50 0.00 0.00 0.00 175.10 177.58 3hjb h LYS 476 N 4.02 0.21 -1.92 2.72 3.64 -1.03 0.30 116.57 124.51 3hjb h LYS 476 Ca -0.48 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 3hjb h LYS 476 Cb 1.17 -0.05 -0.20 0.00 -0.41 0.00 0.00 32.23 32.74 3hjb h LYS 476 CO 0.53 0.14 0.25 -1.14 -2.27 0.00 0.00 179.45 176.95 3hjb s GLN 477 N -6.17 0.93 -0.57 1.90 0.74 -1.26 -1.24 119.66 113.98 3hjb s GLN 477 Ca -0.13 0.38 -0.27 0.00 0.05 0.00 0.00 55.36 55.39 3hjb s GLN 477 Cb 0.10 0.44 0.03 0.00 1.10 0.00 0.00 33.01 34.68 3hjb s GLN 477 CO 0.70 -0.26 1.12 0.42 -0.55 0.00 0.00 175.29 176.72 3hjb s ILE 478 N -0.85 4.12 0.42 -2.34 -1.09 -1.26 -4.75 121.20 115.45 3hjb s ILE 478 Ca -0.07 0.71 0.07 0.00 -2.23 0.00 0.00 60.65 59.13 3hjb s ILE 478 Cb -0.01 -4.67 -0.07 0.00 -1.58 0.00 0.00 42.46 36.12 3hjb s ILE 478 CO 0.06 -1.28 0.02 0.42 -1.23 0.00 0.00 174.94 172.94 3hjb s THR 479 N 4.66 1.97 0.27 2.92 -4.23 -1.26 -4.95 115.64 115.02 3hjb s THR 479 Ca 0.39 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.91 3hjb s THR 479 Cb -0.09 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.06 3hjb s THR 479 CO 0.23 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.51 3hjb h PRO 480 N 1.73 0.99 -0.13 3.99 0.11 -1.91 0.02 132.00 136.79 3hjb h PRO 480 Ca -0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 3hjb h PRO 480 Cb 1.24 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3hjb h PRO 480 CO 0.80 0.65 0.02 -0.09 -0.21 0.00 0.00 178.00 179.17 3hjb h ARG 481 N 1.02 0.22 -0.07 1.05 2.43 -1.88 -0.77 114.38 116.37 3hjb h ARG 481 Ca 0.46 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.46 3hjb h ARG 481 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3hjb h ARG 481 CO -0.23 0.41 -0.46 1.79 -1.51 0.00 0.00 179.97 179.97 3hjb h THR 482 N -0.01 1.33 -0.58 0.20 1.35 -1.78 -0.65 112.91 112.77 3hjb h THR 482 Ca 0.04 -1.64 -0.06 0.00 -0.55 0.00 0.00 66.41 64.20 3hjb h THR 482 Cb 0.30 1.80 -0.02 0.00 -1.73 0.00 0.00 68.15 68.50 3hjb h THR 482 CO 0.00 0.48 0.15 0.25 -0.25 0.00 0.00 175.52 176.15 3hjb h LEU 483 N 0.14 0.88 -0.63 3.87 5.85 -0.92 -0.82 115.31 123.69 3hjb h LEU 483 Ca 0.01 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.50 3hjb h LEU 483 Cb 0.88 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 3hjb h LEU 483 CO 0.07 0.88 0.41 1.23 -0.34 0.00 0.00 178.44 180.69 3hjb h GLY 484 N 0.84 0.89 0.42 3.75 0.00 -0.68 -0.45 103.07 107.83 3hjb h GLY 484 Ca 0.18 -0.33 0.06 0.00 0.00 0.00 0.00 47.33 47.24 3hjb h GLY 484 CO 0.00 0.33 -0.04 3.43 0.00 0.00 0.00 176.54 180.26 3hjb h ASN 485 N 0.85 -0.22 -0.38 0.19 -0.26 -0.80 -1.96 115.58 113.01 3hjb h ASN 485 Ca 0.23 0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 55.96 3hjb h ASN 485 Cb -0.09 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 37.33 3hjb h ASN 485 CO -0.05 -0.07 -0.13 -0.07 -1.06 0.00 0.00 177.43 176.05 3hjb h LEU 486 N 0.04 0.77 -0.23 1.61 3.38 -0.63 -0.69 115.31 119.56 3hjb h LEU 486 Ca 0.16 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3hjb h LEU 486 Cb 0.23 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hjb h LEU 486 CO -0.30 0.98 0.07 0.40 0.09 0.00 0.00 178.44 179.68 3hjb h ILE 487 N 0.55 1.19 -0.45 1.22 2.04 -1.03 -2.35 117.51 118.68 3hjb h ILE 487 Ca 0.09 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 3hjb h ILE 487 Cb 0.66 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 3hjb h ILE 487 CO 0.05 0.19 0.09 0.00 0.00 0.00 0.00 178.15 178.48 3hjb h ALA 488 N 0.90 1.32 -0.23 1.87 0.00 -1.31 -0.57 119.26 121.23 3hjb h ALA 488 Ca 0.07 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hjb h ALA 488 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3hjb h ALA 488 CO -0.00 0.48 0.10 1.98 0.00 0.00 0.00 179.25 181.81 3hjb h MET 489 N 0.66 0.22 -0.30 0.00 1.85 -0.85 -0.92 114.93 115.59 3hjb h MET 489 Ca 0.15 -0.01 -0.15 0.00 -0.61 0.00 0.00 59.70 59.08 3hjb h MET 489 Cb 0.27 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 3hjb h MET 489 CO -0.00 0.14 -0.42 1.88 -0.40 0.00 0.00 176.91 178.11 3hjb h TYR 490 N 0.22 0.89 -0.57 1.39 0.05 -1.07 -1.22 116.97 116.66 3hjb h TYR 490 Ca 0.10 -0.27 0.09 0.00 0.05 0.00 0.00 58.73 58.70 3hjb h TYR 490 Cb 0.04 -0.19 -0.07 0.00 1.01 0.00 0.00 36.73 37.53 3hjb h TYR 490 CO -0.11 1.03 0.18 0.93 -1.05 0.00 0.00 178.16 179.14 3hjb h GLU 491 N 0.60 0.33 -0.12 4.88 5.08 -0.75 -0.85 114.58 123.74 3hjb h GLU 491 Ca 0.04 -0.02 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 3hjb h GLU 491 Cb 0.97 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3hjb h GLU 491 CO 0.09 0.22 -0.52 0.45 -1.00 0.00 0.00 179.01 178.24 3hjb h HIS 492 N 0.34 0.42 -0.38 4.33 3.86 -0.92 -1.43 115.15 121.37 3hjb h HIS 492 Ca 0.29 -0.14 0.03 0.00 -1.16 0.00 0.00 60.37 59.39 3hjb h HIS 492 Cb 0.38 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 3hjb h HIS 492 CO -0.19 0.79 0.17 -0.22 0.86 0.00 0.00 177.93 179.34 3hjb h LYS 493 N 0.27 0.34 -0.43 2.45 3.64 -0.63 -0.19 116.57 122.01 3hjb h LYS 493 Ca 0.01 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3hjb h LYS 493 Cb 1.01 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 3hjb h LYS 493 CO 0.09 0.22 0.24 0.82 -2.27 0.00 0.00 179.45 178.55 3hjb h ILE 494 N 0.35 1.01 -0.19 2.00 2.04 -0.93 -1.38 117.51 120.41 3hjb h ILE 494 Ca 0.17 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3hjb h ILE 494 Cb 0.10 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.65 3hjb h ILE 494 CO -0.14 0.09 0.04 0.15 0.00 0.00 0.00 178.15 178.29 3hjb h PHE 495 N 0.48 0.06 -0.52 1.37 3.57 -0.86 -1.42 116.94 119.61 3hjb h PHE 495 Ca 0.18 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.71 3hjb h PHE 495 Cb 0.05 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3hjb h PHE 495 CO -0.08 0.02 0.32 0.28 -2.23 0.00 0.00 178.31 176.61 3hjb h VAL 496 N 0.11 1.06 -0.71 1.41 2.07 -0.66 -0.47 116.25 119.06 3hjb h VAL 496 Ca 0.09 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3hjb h VAL 496 Cb 0.08 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.19 3hjb h VAL 496 CO -0.11 0.12 0.38 1.56 0.02 0.00 0.00 177.57 179.53 3hjb h GLN 497 N 0.63 1.00 -0.56 1.57 4.20 -1.03 -1.50 115.11 119.42 3hjb h GLN 497 Ca 0.21 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.74 3hjb h GLN 497 Cb 0.01 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.57 3hjb h GLN 497 CO -0.09 0.76 0.13 0.78 -0.67 0.00 0.00 178.83 179.74 3hjb h GLY 498 N 0.98 0.93 0.94 3.46 0.00 -0.74 0.58 103.07 109.23 3hjb h GLY 498 Ca 0.25 -0.54 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hjb h GLY 498 CO -0.04 0.51 -0.17 -2.08 0.00 0.00 0.00 176.54 174.76 3hjb h VAL 499 N 0.83 0.66 -0.77 4.60 2.07 -0.60 -2.13 116.25 120.90 3hjb h VAL 499 Ca 0.18 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 3hjb h VAL 499 Cb 0.31 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3hjb h VAL 499 CO -0.00 0.03 0.32 0.40 0.02 0.00 0.00 177.57 178.33 3hjb h ILE 500 N -0.55 1.26 0.00 4.57 2.04 -1.07 -1.47 117.51 122.29 3hjb h ILE 500 Ca -0.05 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.01 3hjb h ILE 500 Cb 0.41 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 3hjb h ILE 500 CO 0.08 0.33 0.00 0.79 0.00 0.00 0.00 178.15 179.35 3hjb n TRP 501 N -4.31 0.00 -3.60 1.37 8.01 0.18 -4.28 117.44 114.81 3hjb n TRP 501 Ca 0.07 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 56.03 3hjb n TRP 501 Cb 0.18 -0.10 0.07 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 -1.10 -5.24 -4.62 -0.99 5.15 -0.55 -4.88 115.26 103.03 3hjb n ASN 502 Ca 0.14 -0.59 -0.29 0.00 -0.60 0.00 0.00 54.58 53.24 3hjb n ASN 502 Cb 0.11 -4.91 -0.09 0.00 -0.53 0.00 0.00 39.78 34.36 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 -3.34 1.50 -0.38 -1.44 -4.36 -0.85 -0.38 121.20 111.95 3hjb s ILE 503 Ca 0.46 -2.00 -0.13 0.00 -0.26 0.00 0.00 60.65 58.72 3hjb s ILE 503 Cb -0.21 -2.61 0.01 0.00 1.25 0.00 0.00 42.46 40.90 3hjb s ILE 503 CO 0.74 0.00 0.26 -0.36 0.24 0.00 0.00 174.94 175.82 3hjb s PHE 504 N -2.86 3.23 -1.24 1.37 0.08 -1.26 -4.63 117.98 112.66 3hjb s PHE 504 Ca 0.23 -0.57 0.28 0.00 0.12 0.00 0.00 56.93 56.99 3hjb s PHE 504 Cb 0.06 -2.51 1.04 0.00 -0.57 0.00 0.00 43.02 41.04 3hjb s PHE 504 CO 0.12 -0.53 1.77 0.43 -0.10 0.00 0.00 175.22 176.90 3hjb n SER 505 N 5.10 0.30 -0.28 1.36 7.64 -1.26 -4.23 113.62 122.26 3hjb n SER 505 Ca -0.12 -0.10 0.03 0.00 1.01 0.00 0.00 58.87 59.70 3hjb n SER 505 Cb 0.48 -0.14 0.04 0.00 -1.01 0.00 0.00 64.21 63.57 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 -1.30 0.06 -3.53 1.43 3.72 -1.26 -4.33 117.46 112.24 3hjb n PHE 506 Ca 0.09 -0.11 -0.24 0.00 -0.05 0.00 0.00 57.45 57.15 3hjb n PHE 506 Cb 0.31 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.87 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 -0.63 4.80 -0.43 4.37 1.47 -1.26 -4.98 116.67 120.00 3hjb s ASP 507 Ca 0.09 -1.12 0.06 0.00 1.18 0.00 0.00 52.55 52.76 3hjb s ASP 507 Cb 0.06 0.47 0.32 0.00 -0.34 0.00 0.00 42.92 43.43 3hjb s ASP 507 CO 0.08 -1.26 1.18 0.00 0.68 0.00 0.00 175.17 175.86 3hjb n GLN 508 N -2.01 0.91 0.24 2.11 0.00 -1.26 -4.80 117.38 112.58 3hjb n GLN 508 Ca 0.06 -1.73 0.17 0.00 0.00 0.00 0.00 57.00 55.49 3hjb n GLN 508 Cb 0.63 -0.77 0.76 0.00 0.00 0.00 0.00 30.24 30.86 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 2.73 0.00 0.00 2.61 4.06 -1.98 -2.87 115.95 120.49 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 1.14 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.30 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 -0.45 -0.74 0.04 1.49 0.00 -1.26 -2.54 105.19 101.72 3hjb n GLY 510 Ca -0.00 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.18 0.20 -0.09 1.61 0.24 -1.09 -4.54 118.33 113.48 3hjb n VAL 511 Ca 0.10 -0.18 -0.14 0.00 -2.04 0.00 0.00 64.34 62.08 3hjb n VAL 511 Cb 0.11 0.09 -0.03 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 0.90 -0.28 7.34 5.08 -1.73 -3.22 114.58 122.68 3hjb h GLU 512 Ca 0.00 -0.53 -0.04 0.00 -1.00 0.00 0.00 59.36 57.79 3hjb h GLU 512 Cb 0.67 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3hjb h GLU 512 CO 0.00 1.17 0.03 1.25 -1.00 0.00 0.00 179.01 180.47 3hjb h LEU 513 N 0.71 0.45 -1.01 1.33 5.85 -1.81 -1.58 115.31 119.25 3hjb h LEU 513 Ca 0.03 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.51 3hjb h LEU 513 Cb 1.08 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 3hjb h LEU 513 CO 0.11 0.61 0.67 1.23 -0.34 0.00 0.00 178.44 180.71 3hjb h GLY 514 N 0.27 1.45 0.90 3.75 0.00 -1.86 -0.66 103.07 106.92 3hjb h GLY 514 Ca 0.08 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 3hjb h GLY 514 CO 0.01 0.47 0.07 1.70 0.00 0.00 0.00 176.54 178.79 3hjb h LYS 515 N 1.32 0.22 -0.70 4.80 3.64 -1.50 -1.03 116.57 123.33 3hjb h LYS 515 Ca 0.39 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.73 3hjb h LYS 515 Cb -0.08 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3hjb h LYS 515 CO -0.10 0.28 0.43 1.96 -2.27 0.00 0.00 179.45 179.75 3hjb h GLN 516 N 0.11 0.94 -0.16 1.90 1.08 -0.83 -1.21 115.11 116.94 3hjb h GLN 516 Ca 0.05 -0.08 -0.13 0.00 -1.45 0.00 0.00 58.65 57.04 3hjb h GLN 516 Cb 0.14 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3hjb h GLN 516 CO -0.01 0.66 -0.47 -0.07 -0.95 0.00 0.00 178.83 178.00 3hjb h LEU 517 N 0.95 0.45 -0.74 1.46 3.38 -1.06 -2.73 115.31 117.02 3hjb h LEU 517 Ca 0.25 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3hjb h LEU 517 Cb -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hjb h LEU 517 CO -0.05 0.85 -0.24 0.00 0.09 0.00 0.00 178.44 179.09 3hjb h ALA 518 N 1.16 0.92 -0.49 1.53 0.00 -0.87 -1.92 119.26 119.59 3hjb h ALA 518 Ca 0.02 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 3hjb h ALA 518 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3hjb h ALA 518 CO 0.08 0.62 0.21 -0.91 0.00 0.00 0.00 179.25 179.25 3hjb h ASN 519 N 0.60 0.63 0.23 0.00 2.35 -1.05 0.01 115.58 118.35 3hjb h ASN 519 Ca 0.08 -0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.57 3hjb h ASN 519 Cb 0.73 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.94 3hjb h ASN 519 CO 0.06 0.56 -0.77 1.56 -1.65 0.00 0.00 177.43 177.19 3hjb h GLN 520 N 0.70 0.44 0.05 0.81 1.08 -1.17 -3.31 115.11 113.70 3hjb h GLN 520 Ca 0.17 -0.38 -0.25 0.00 -1.45 0.00 0.00 58.65 56.75 3hjb h GLN 520 Cb 0.11 0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3hjb h GLN 520 CO -0.02 1.02 -1.06 0.82 -0.95 0.00 0.00 178.83 178.64 3hjb h ILE 521 N 0.29 1.43 -0.52 2.54 2.04 -0.93 -3.38 117.51 118.98 3hjb h ILE 521 Ca -0.04 -2.66 0.11 0.00 1.00 0.00 0.00 64.86 63.27 3hjb h ILE 521 Cb 1.35 2.61 -0.10 0.00 -0.74 0.00 0.00 36.82 39.95 3hjb h ILE 521 CO 0.13 0.79 -0.15 0.25 0.00 0.00 0.00 178.15 179.17 3hjb h LEU 522 N 0.17 -0.55 -1.87 1.44 5.85 -1.09 0.40 115.31 119.66 3hjb h LEU 522 Ca -0.10 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3hjb h LEU 522 Cb 1.73 0.35 -0.00 0.00 0.37 0.00 0.00 40.66 43.10 3hjb h LEU 522 CO 0.18 -0.19 -0.10 1.55 -0.34 0.00 0.00 178.44 179.54 3hjb h PRO 523 N -0.02 0.00 0.00 5.25 0.13 -1.76 -1.99 132.00 133.61 3hjb h PRO 523 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.38 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 -0.55 0.10 0.00 0.93 -0.23 0.00 0.00 178.00 178.25 3hjb h GLU 524 N 0.00 0.00 -0.01 0.86 5.08 -1.10 -3.06 114.58 116.35 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 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 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 -2.48 1.03 -0.03 1.33 4.77 -0.75 -4.31 117.00 116.56 3hjb n LEU 525 Ca 0.02 -0.27 -0.13 0.00 -0.03 0.00 0.00 56.01 55.61 3hjb n LEU 525 Cb 0.30 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.18 3hjb n LEU 525 CO 0.24 0.20 0.67 0.00 -1.33 0.00 0.00 177.39 177.17 3hjb h ALA 526 N 3.60 0.11 -6.47 -1.18 0.00 -1.63 -3.47 119.26 110.22 3hjb h ALA 526 Ca 0.00 -0.24 -0.48 0.00 0.00 0.00 0.00 54.91 54.19 3hjb h ALA 526 Cb 0.52 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.32 3hjb h ALA 526 CO 0.00 -0.14 -0.04 -0.40 0.00 0.00 0.00 179.25 178.67 3hjb n ASP 527 N -4.76 2.02 -0.65 0.00 5.68 -1.26 -5.03 116.55 112.54 3hjb n ASP 527 Ca -0.07 -2.49 0.13 0.00 -0.50 0.00 0.00 54.79 51.86 3hjb n ASP 527 Cb 0.26 -0.46 0.33 0.00 -1.14 0.00 0.00 41.12 40.11 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 -2.41 2.06 -4.77 -1.12 3.41 -1.26 -4.98 113.62 104.56 3hjb n SER 528 Ca 0.17 -1.65 -0.39 0.00 -0.26 0.00 0.00 58.87 56.73 3hjb n SER 528 Cb 0.60 0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.58 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 -2.05 3.24 0.40 7.33 0.00 -1.26 -4.97 121.76 124.44 3hjb s ALA 529 Ca 0.33 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 53.26 3hjb s ALA 529 Cb 0.20 -3.49 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 3hjb s ALA 529 CO 0.34 -0.86 1.38 0.00 0.00 0.00 0.00 175.76 176.62 3hjb s ALA 530 N -1.27 3.38 -0.15 0.00 0.00 -1.26 -5.00 121.76 117.46 3hjb s ALA 530 Ca 0.58 1.39 -0.05 0.00 0.00 0.00 0.00 51.96 53.87 3hjb s ALA 530 Cb -0.38 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.16 3hjb s ALA 530 CO 0.49 -0.94 0.01 0.08 0.00 0.00 0.00 175.76 175.40 3hjb s VAL 531 N -1.19 4.33 0.00 0.00 1.01 -1.26 -4.97 120.40 118.33 3hjb s VAL 531 Ca 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.33 3hjb s VAL 531 Cb -0.42 -2.91 0.00 0.00 0.00 0.00 0.00 36.38 33.05 3hjb s VAL 531 CO 0.55 0.50 0.65 0.35 0.00 0.00 0.00 175.10 177.15 3hjb n THR 532 N 3.29 0.34 1.32 3.92 -2.24 -1.26 -4.79 114.28 114.86 3hjb n THR 532 Ca -0.17 -0.36 0.14 0.00 -2.27 0.00 0.00 64.05 61.39 3hjb n THR 532 Cb 0.53 0.87 0.69 0.00 -2.10 0.00 0.00 70.33 70.32 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 0.08 -1.55 3.42 3.41 -1.26 -4.88 113.62 112.67 3hjb n SER 533 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3hjb n SER 533 Cb 0.39 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -1.30 -0.16 -1.00 7.33 8.25 -1.26 -5.11 115.22 121.98 3hjb n HIS 534 Ca 0.12 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 3hjb n HIS 534 Cb 0.27 0.00 0.18 0.00 1.12 0.00 0.00 29.99 31.56 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 -0.58 2.63 0.43 0.41 -4.77 -1.26 -4.76 116.67 108.77 3hjb s ASP 535 Ca 0.00 1.47 0.14 0.00 -3.30 0.00 0.00 52.55 50.86 3hjb s ASP 535 Cb 0.00 -2.15 0.95 0.00 -1.09 0.00 0.00 42.92 40.63 3hjb s ASP 535 CO 0.00 -3.17 1.97 0.77 0.70 0.00 0.00 175.17 175.44 3hjb h SER 536 N -1.92 0.03 0.14 2.11 4.64 -1.98 -0.94 113.55 115.63 3hjb h SER 536 Ca -0.53 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.78 3hjb h SER 536 Cb 1.31 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3hjb h SER 536 CO 0.53 0.22 -0.07 -1.28 -0.87 0.00 0.00 176.83 175.37 3hjb h SER 537 N 0.03 -0.16 -0.71 4.97 0.87 -1.98 0.14 113.55 116.71 3hjb h SER 537 Ca 0.00 -0.37 0.04 0.00 -1.23 0.00 0.00 61.79 60.24 3hjb h SER 537 Cb 0.36 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.31 3hjb h SER 537 CO 0.03 0.34 0.43 0.74 -0.53 0.00 0.00 176.83 177.83 3hjb h THR 538 N -0.72 1.04 -0.30 2.23 2.02 -1.91 0.12 112.91 115.40 3hjb h THR 538 Ca -0.02 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 3hjb h THR 538 Cb 0.52 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3hjb h THR 538 CO 0.03 0.15 0.16 0.78 0.37 0.00 0.00 175.52 177.01 3hjb h ASN 539 N 0.81 0.37 -0.71 4.18 2.35 -1.21 -1.44 115.58 119.94 3hjb h ASN 539 Ca 0.30 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3hjb h ASN 539 Cb 0.09 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3hjb h ASN 539 CO -0.14 0.36 0.45 1.23 -1.65 0.00 0.00 177.43 177.68 3hjb h GLY 540 N 0.36 1.01 0.88 2.83 0.00 -0.34 0.40 103.07 108.21 3hjb h GLY 540 Ca 0.10 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3hjb h GLY 540 CO -0.02 0.39 -0.02 1.41 0.00 0.00 0.00 176.54 178.30 3hjb h LEU 541 N 0.96 0.52 -0.48 3.11 3.38 -0.68 -1.10 115.31 121.02 3hjb h LEU 541 Ca 0.26 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3hjb h LEU 541 Cb -0.07 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3hjb h LEU 541 CO -0.05 0.72 0.19 0.40 0.09 0.00 0.00 178.44 179.79 3hjb h ILE 542 N 0.31 1.21 -0.45 1.22 2.04 -1.03 -0.39 117.51 120.42 3hjb h ILE 542 Ca 0.08 -0.67 -0.09 0.00 1.00 0.00 0.00 64.86 65.18 3hjb h ILE 542 Cb 0.47 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3hjb h ILE 542 CO 0.02 0.25 -0.08 0.78 0.00 0.00 0.00 178.15 179.12 3hjb h ASN 543 N 0.64 0.77 -0.37 1.72 2.35 -0.87 -0.83 115.58 118.99 3hjb h ASN 543 Ca 0.16 -0.22 -0.10 0.00 -0.55 0.00 0.00 56.30 55.60 3hjb h ASN 543 Cb 0.21 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 3hjb h ASN 543 CO -0.01 0.89 -0.11 0.00 -1.65 0.00 0.00 177.43 176.55 3hjb h ALA 544 N 1.19 0.96 -0.25 -0.83 0.00 -0.98 -1.44 119.26 117.91 3hjb h ALA 544 Ca 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hjb h ALA 544 Cb 0.55 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hjb h ALA 544 CO 0.03 0.61 0.15 0.35 0.00 0.00 0.00 179.25 180.40 3hjb h PHE 545 N 0.73 0.32 -0.79 0.00 3.57 -0.59 -0.42 116.94 119.77 3hjb h PHE 545 Ca 0.12 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 3hjb h PHE 545 Cb 0.60 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.20 3hjb h PHE 545 CO 0.03 0.24 0.44 0.87 -2.23 0.00 0.00 178.31 177.65 3hjb h LYS 546 N 0.31 1.08 -0.46 1.11 1.57 -0.90 -2.10 116.57 117.19 3hjb h LYS 546 Ca 0.09 -0.12 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 3hjb h LYS 546 Cb 0.00 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3hjb h LYS 546 CO -0.02 0.79 -0.19 0.00 -0.57 0.00 0.00 179.45 179.47 3hjb h ALA 547 N 1.39 0.80 -0.30 3.86 0.00 -0.96 -2.50 119.26 121.55 3hjb h ALA 547 Ca 0.28 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3hjb h ALA 547 Cb 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3hjb h ALA 547 CO -0.05 0.65 -0.18 0.74 0.00 0.00 0.00 179.25 180.42 3hjb h PHE 548 N 0.79 0.60 0.00 0.00 0.04 -0.68 -3.03 116.94 114.67 3hjb h PHE 548 Ca 0.11 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3hjb h PHE 548 Cb 0.73 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.73 3hjb h PHE 548 CO 0.04 0.70 -0.41 2.89 -0.60 0.00 0.00 178.31 180.93 3hjb n ARG 549 N -4.16 0.26 0.00 1.51 1.85 -0.82 -5.11 116.66 110.19 3hjb n ARG 549 Ca 0.00 0.12 0.04 0.00 -1.00 0.00 0.00 57.85 57.01 3hjb n ARG 549 Cb 0.37 -1.71 0.25 0.00 -1.05 0.00 0.00 32.46 30.32 3hjb n ARG 549 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62