#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jkw s THR 12 N 0.00 -0.55 0.35 -0.99 2.01 -1.26 -4.91 115.64 110.28 1jkw s THR 12 Ca 0.00 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 61.90 1jkw s THR 12 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.67 1jkw s THR 12 CO 0.00 -0.17 0.53 -0.36 -0.69 0.00 0.00 174.62 173.93 1jkw s PHE 13 N 2.50 3.42 -0.98 4.92 0.40 -0.87 -5.03 117.98 122.33 1jkw s PHE 13 Ca 0.11 0.23 0.27 0.00 -0.60 0.00 0.00 56.93 56.94 1jkw s PHE 13 Cb -0.15 -1.92 0.84 0.00 0.51 0.00 0.00 43.02 42.30 1jkw s PHE 13 CO -0.17 0.08 1.65 -1.13 0.70 0.00 0.00 175.22 176.35 1jkw n SER 14 N -1.76 0.29 -3.62 1.36 3.41 -1.26 -4.66 113.62 107.37 1jkw n SER 14 Ca -0.04 0.12 -0.07 0.00 -0.26 0.00 0.00 58.87 58.62 1jkw n SER 14 Cb 0.57 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 1jkw n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jkw s SER 15 N -3.07 -0.31 0.41 4.04 1.04 -1.26 -4.97 113.70 109.57 1jkw s SER 15 Ca 0.12 -0.21 0.22 0.00 0.48 0.00 0.00 55.95 56.57 1jkw s SER 15 Cb 0.18 0.48 0.71 0.00 0.10 0.00 0.00 66.02 67.49 1jkw s SER 15 CO 0.62 -0.84 1.73 -0.33 0.98 0.00 0.00 173.24 175.40 1jkw h GLU 16 N 2.00 0.00 -0.46 4.02 5.08 -2.00 -3.03 114.58 120.19 1jkw h GLU 16 Ca -0.24 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.99 1jkw h GLU 16 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1jkw h GLU 16 CO 0.29 0.25 -0.22 1.49 -1.00 0.00 0.00 179.01 179.82 1jkw h GLU 17 N 0.00 0.97 -0.64 2.33 4.57 -1.98 -0.92 114.58 118.90 1jkw h GLU 17 Ca -0.00 -0.42 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 1jkw h GLU 17 Cb 0.89 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.42 1jkw h GLU 17 CO 0.03 1.09 0.41 0.37 -1.18 0.00 0.00 179.01 179.73 1jkw h GLN 18 N 0.81 0.85 -0.05 1.92 4.15 -1.91 -0.38 115.11 120.51 1jkw h GLN 18 Ca 0.10 -0.06 -0.10 0.00 0.77 0.00 0.00 58.65 59.36 1jkw h GLN 18 Cb 0.79 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1jkw h GLN 18 CO 0.07 0.58 -0.44 -0.07 -1.93 0.00 0.00 178.83 177.04 1jkw h LEU 19 N 0.87 0.11 -0.16 -2.39 4.07 -1.51 -2.48 115.31 113.80 1jkw h LEU 19 Ca 0.23 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 58.13 1jkw h LEU 19 Cb -0.07 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1jkw h LEU 19 CO -0.05 0.54 0.05 0.00 -1.08 0.00 0.00 178.44 177.91 1jkw h ALA 20 N 1.47 0.22 0.31 1.53 0.00 -0.32 -1.46 119.26 121.00 1jkw h ALA 20 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jkw h ALA 20 Cb 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1jkw h ALA 20 CO 0.06 -0.17 -0.15 0.00 0.00 0.00 0.00 179.25 178.99 1jkw h ARG 21 N 0.09 -0.40 -0.73 0.00 3.08 -0.95 -0.95 114.38 114.53 1jkw h ARG 21 Ca 0.05 0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.25 1jkw h ARG 21 Cb 0.22 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.27 1jkw h ARG 21 CO -0.00 -0.26 0.31 -0.07 -1.07 0.00 0.00 179.97 178.87 1jkw h LEU 22 N -0.41 0.33 -0.96 3.04 3.38 -1.44 0.16 115.31 119.40 1jkw h LEU 22 Ca -0.04 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 1jkw h LEU 22 Cb 0.32 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1jkw h LEU 22 CO 0.07 0.16 -0.40 0.03 0.09 0.00 0.00 178.44 178.38 1jkw h ARG 23 N 0.49 0.23 -0.20 1.13 3.08 -0.99 -2.13 114.38 116.00 1jkw h ARG 23 Ca 0.38 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 60.21 1jkw h ARG 23 Cb 0.52 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1jkw h ARG 23 CO -0.35 0.60 -0.32 0.00 -1.07 0.00 0.00 179.97 178.83 1jkw h ALA 24 N 1.39 0.31 -0.51 0.04 0.00 0.39 -2.49 119.26 118.39 1jkw h ALA 24 Ca 0.02 -0.42 0.06 0.00 0.00 0.00 0.00 54.91 54.57 1jkw h ALA 24 Cb 0.80 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1jkw h ALA 24 CO 0.06 0.34 0.23 -0.44 0.00 0.00 0.00 179.25 179.44 1jkw h ASP 25 N 0.24 0.30 -0.79 0.00 3.32 -0.58 -1.34 116.42 117.56 1jkw h ASP 25 Ca 0.02 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 1jkw h ASP 25 Cb 0.91 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 40.41 1jkw h ASP 25 CO 0.07 0.21 0.49 0.00 -1.72 0.00 0.00 179.24 178.29 1jkw h ALA 26 N 1.30 1.36 -0.51 3.45 0.00 -1.28 0.51 119.26 124.10 1jkw h ALA 26 Ca 0.23 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1jkw h ALA 26 Cb 0.19 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jkw h ALA 26 CO -0.19 0.56 -0.02 -0.97 0.00 0.00 0.00 179.25 178.63 1jkw h ASN 27 N 1.09 0.89 -0.06 0.00 -0.73 -0.81 -2.86 115.58 113.10 1jkw h ASN 27 Ca 0.29 -0.32 -0.02 0.00 1.87 0.00 0.00 56.30 58.12 1jkw h ASN 27 Cb -0.06 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.28 1jkw h ASN 27 CO -0.06 0.99 -0.05 0.03 -0.37 0.00 0.00 177.43 177.98 1jkw h ARG 28 N 0.77 0.13 -0.66 6.67 3.08 -0.79 -2.09 114.38 121.50 1jkw h ARG 28 Ca 0.14 -0.07 0.13 0.00 0.07 0.00 0.00 59.98 60.26 1jkw h ARG 28 Cb 0.55 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 30.47 1jkw h ARG 28 CO 0.03 0.56 -0.20 -0.22 -1.07 0.00 0.00 179.97 179.08 1jkw h LYS 29 N -0.30 -0.03 -0.02 0.04 3.64 -0.94 0.14 116.57 119.11 1jkw h LYS 29 Ca 0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1jkw h LYS 29 Cb 0.53 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1jkw h LYS 29 CO 0.01 -0.02 0.01 0.35 -2.27 0.00 0.00 179.45 177.53 1jkw h PHE 30 N -0.03 0.03 -0.71 1.91 3.57 -1.42 -0.11 116.94 120.18 1jkw h PHE 30 Ca 0.31 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.97 1jkw h PHE 30 Cb 0.51 -0.01 -0.12 0.00 2.79 0.00 0.00 35.95 39.12 1jkw h PHE 30 CO -0.56 0.15 0.07 0.00 -2.23 0.00 0.00 178.31 175.75 1jkw h ARG 31 N -0.11 0.16 -0.42 1.11 3.08 -0.56 0.35 114.38 117.99 1jkw h ARG 31 Ca 0.01 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1jkw h ARG 31 Cb 0.14 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1jkw h ARG 31 CO -0.00 0.11 0.02 0.00 -1.07 0.00 0.00 179.97 179.03 1jkw h LYS 33 N 0.57 0.05 -0.06 0.00 3.64 0.68 0.19 116.57 121.64 1jkw h LYS 33 Ca 0.12 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1jkw h LYS 33 Cb 0.45 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1jkw h LYS 33 CO 0.02 0.11 -0.09 0.00 -2.27 0.00 0.00 179.45 177.22 1jkw h ALA 34 N 0.94 -0.05 -0.55 5.00 0.00 -0.18 -0.02 119.26 124.40 1jkw h ALA 34 Ca 0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1jkw h ALA 34 Cb 0.08 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jkw h ALA 34 CO -0.00 -0.56 0.28 0.28 0.00 0.00 0.00 179.25 179.25 1jkw h VAL 35 N -0.13 1.18 -0.83 0.00 2.07 -0.91 -2.26 116.25 115.36 1jkw h VAL 35 Ca 0.05 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1jkw h VAL 35 Cb 0.20 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1jkw h VAL 35 CO -0.13 0.20 0.37 0.00 0.02 0.00 0.00 177.57 178.03 1jkw h ALA 36 N 1.55 1.08 -0.16 1.67 0.00 0.37 -2.28 119.26 121.48 1jkw h ALA 36 Ca 0.19 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1jkw h ALA 36 Cb 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1jkw h ALA 36 CO -0.03 0.67 0.14 0.09 0.00 0.00 0.00 179.25 180.12 1jkw n ASN 37 N -4.29 5.46 0.00 0.00 3.02 -0.12 -4.91 115.26 114.42 1jkw n ASN 37 Ca 0.08 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 52.03 1jkw n ASN 37 Cb 0.16 -1.05 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1jkw n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jkw n GLY 38 N 1.01 0.00 0.54 7.41 0.00 -0.86 -4.74 105.19 108.56 1jkw n GLY 38 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1jkw n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jkw n LYS 39 N 0.00 0.15 -3.61 1.61 5.02 -1.26 -4.73 118.16 115.34 1jkw n LYS 39 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1jkw n LYS 39 Cb 0.00 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 1jkw n LYS 39 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1jkw s VAL 40 N -0.86 0.00 0.04 -0.18 0.11 -1.26 -5.03 120.40 113.22 1jkw s VAL 40 Ca 0.00 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 58.84 1jkw s VAL 40 Cb 0.00 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.79 1jkw s VAL 40 CO 0.00 0.00 0.61 -0.76 -3.33 0.00 0.00 175.10 171.62 1jkw s LEU 41 N -0.34 4.48 0.46 2.54 1.43 -1.26 -4.47 118.68 121.51 1jkw s LEU 41 Ca 0.01 1.26 0.41 0.00 -1.03 0.00 0.00 54.13 54.78 1jkw s LEU 41 Cb -0.03 -2.97 1.45 0.00 0.03 0.00 0.00 46.19 44.67 1jkw s LEU 41 CO -0.03 0.17 1.33 -2.65 0.23 0.00 0.00 176.35 175.40 1jkw n PRO 42 N 2.25 -0.01 -0.60 1.29 -0.02 -1.26 0.83 135.00 137.49 1jkw n PRO 42 Ca -0.08 0.95 0.02 0.00 -2.02 0.00 0.00 63.50 62.37 1jkw n PRO 42 Cb 0.51 -2.14 0.21 0.00 -0.02 0.00 0.00 33.50 32.06 1jkw n PRO 42 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1jkw n ASN 43 N -3.78 2.76 -4.71 2.55 6.94 -1.26 -4.99 115.26 112.77 1jkw n ASN 43 Ca 0.38 -3.50 -0.42 0.00 -0.02 0.00 0.00 54.58 51.01 1jkw n ASN 43 Cb 1.67 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 38.48 1jkw n ASN 43 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jkw s ASP 44 N -2.49 6.89 0.00 0.53 -1.08 0.24 -4.87 116.67 115.89 1jkw s ASP 44 Ca 0.42 2.21 0.06 0.00 -0.52 0.00 0.00 52.55 54.72 1jkw s ASP 44 Cb 0.37 -2.58 0.37 0.00 -1.46 0.00 0.00 42.92 39.62 1jkw s ASP 44 CO 0.02 -0.62 0.83 -0.81 0.52 0.00 0.00 175.17 175.10 1jkw n PRO 45 N 4.22 0.48 0.11 4.34 -0.04 -1.26 -2.82 135.00 140.03 1jkw n PRO 45 Ca 0.11 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.55 1jkw n PRO 45 Cb 0.43 -1.20 0.21 0.00 -0.04 0.00 0.00 33.50 32.90 1jkw n PRO 45 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1jkw h VAL 46 N 0.00 1.35 -3.90 0.52 3.04 -1.95 -3.44 116.25 111.86 1jkw h VAL 46 Ca 0.00 -1.71 -0.52 0.00 -1.01 0.00 0.00 66.70 63.46 1jkw h VAL 46 Cb 0.00 1.85 0.06 0.00 -2.01 0.00 0.00 31.29 31.19 1jkw h VAL 46 CO 0.00 0.50 0.59 -0.36 -1.01 0.00 0.00 177.57 177.29 1jkw s PHE 47 N -3.95 3.05 0.22 3.17 0.08 -1.13 -4.82 117.98 114.60 1jkw s PHE 47 Ca -0.03 1.47 -0.19 0.00 0.12 0.00 0.00 56.93 58.30 1jkw s PHE 47 Cb 0.13 -3.58 -0.08 0.00 -0.57 0.00 0.00 43.02 38.92 1jkw s PHE 47 CO 0.77 -1.67 0.71 -0.51 -0.10 0.00 0.00 175.22 174.42 1jkw s LEU 48 N -2.07 4.32 0.43 -0.37 1.43 -1.26 -5.06 118.68 116.10 1jkw s LEU 48 Ca 0.52 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.86 1jkw s LEU 48 Cb -0.37 -3.59 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 1jkw s LEU 48 CO 0.48 0.02 0.85 -1.61 0.23 0.00 0.00 176.35 176.32 1jkw s GLU 49 N -2.03 3.89 0.19 1.70 0.41 -1.26 -4.89 118.70 116.71 1jkw s GLU 49 Ca 0.43 0.70 -0.17 0.00 -0.41 0.00 0.00 54.97 55.51 1jkw s GLU 49 Cb -0.16 -2.30 0.15 0.00 -1.78 0.00 0.00 34.13 30.04 1jkw s GLU 49 CO 0.21 -0.08 1.63 -1.35 -0.49 0.00 0.00 175.26 175.17 1jkw h PRO 50 N 1.33 -0.08 -0.92 0.39 0.11 -1.95 0.14 132.00 131.03 1jkw h PRO 50 Ca -0.47 0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.83 1jkw h PRO 50 Cb 1.18 0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.24 1jkw h PRO 50 CO 0.63 -0.05 0.60 1.12 -0.21 0.00 0.00 178.00 180.09 1jkw h HIS 51 N -0.08 0.68 -0.25 0.65 2.07 -1.98 -0.60 115.15 115.63 1jkw h HIS 51 Ca 0.24 0.02 -0.16 0.00 -2.85 0.00 0.00 60.37 57.61 1jkw h HIS 51 Cb 0.45 -0.21 -0.00 0.00 2.57 0.00 0.00 27.41 30.21 1jkw h HIS 51 CO -0.48 0.19 -0.50 0.93 -3.07 0.00 0.00 177.93 174.99 1jkw h GLU 52 N 0.52 0.70 -0.19 5.12 5.08 -1.13 -2.79 114.58 121.89 1jkw h GLU 52 Ca 0.49 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1jkw h GLU 52 Cb 1.05 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 1jkw h GLU 52 CO -0.22 1.04 -0.00 0.93 -1.00 0.00 0.00 179.01 179.76 1jkw h GLU 53 N 0.55 0.06 -0.35 2.33 5.08 -0.11 -2.50 114.58 119.64 1jkw h GLU 53 Ca 0.02 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1jkw h GLU 53 Cb 1.06 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 1jkw h GLU 53 CO 0.10 0.04 -0.19 1.98 -1.00 0.00 0.00 179.01 179.94 1jkw h MET 54 N 0.06 -0.13 -0.29 2.33 4.05 -1.23 0.71 114.93 120.43 1jkw h MET 54 Ca 0.09 0.01 0.06 0.00 -0.28 0.00 0.00 59.70 59.58 1jkw h MET 54 Cb 0.11 0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 30.89 1jkw h MET 54 CO -0.16 -0.09 -0.06 1.15 0.23 0.00 0.00 176.91 177.99 1jkw h THR 55 N -0.14 0.72 -0.81 -0.77 2.02 -1.24 0.15 112.91 112.84 1jkw h THR 55 Ca 0.18 -0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 1jkw h THR 55 Cb 0.41 0.71 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1jkw h THR 55 CO -0.43 0.00 0.53 -0.07 0.37 0.00 0.00 175.52 175.92 1jkw h LEU 56 N 0.01 0.83 -0.55 2.58 4.07 -0.84 0.53 115.31 121.94 1jkw h LEU 56 Ca 0.14 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.94 1jkw h LEU 56 Cb 0.21 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1jkw h LEU 56 CO -0.29 0.55 -0.49 0.00 -1.08 0.00 0.00 178.44 177.14 1jkw h LYS 58 N 0.48 0.71 -0.51 0.00 1.57 0.11 0.13 116.57 119.06 1jkw h LYS 58 Ca 0.02 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jkw h LYS 58 Cb 1.02 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 1jkw h LYS 58 CO 0.10 0.58 0.30 -0.92 -0.57 0.00 0.00 179.45 178.94 1jkw h TYR 59 N 0.65 0.68 -0.11 -1.35 3.20 -0.77 -1.84 116.97 117.43 1jkw h TYR 59 Ca 0.17 -0.01 -0.18 0.00 3.14 0.00 0.00 58.73 61.85 1jkw h TYR 59 Cb 0.10 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1jkw h TYR 59 CO -0.01 0.48 -0.69 1.88 -1.64 0.00 0.00 178.16 178.18 1jkw h TYR 60 N 0.68 0.63 -0.68 -3.82 0.05 -0.79 -0.94 116.97 112.09 1jkw h TYR 60 Ca 0.18 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.70 1jkw h TYR 60 Cb 0.01 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1jkw h TYR 60 CO -0.02 1.02 0.43 1.49 -1.05 0.00 0.00 178.16 180.03 1jkw h GLU 61 N 0.33 0.91 -0.36 4.88 4.81 -0.53 0.49 114.58 125.10 1jkw h GLU 61 Ca -0.02 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.04 1jkw h GLU 61 Cb 1.27 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1jkw h GLU 61 CO 0.12 0.62 -0.17 0.87 -0.73 0.00 0.00 179.01 179.72 1jkw h LYS 62 N 0.93 0.76 -0.00 1.92 1.57 -0.93 -0.39 116.57 120.43 1jkw h LYS 62 Ca 0.25 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1jkw h LYS 62 Cb -0.07 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 1jkw h LYS 62 CO -0.05 0.95 -0.07 0.00 -0.57 0.00 0.00 179.45 179.70 1jkw h ARG 63 N 0.55 0.00 -0.28 3.15 2.47 -0.56 -0.49 114.38 119.21 1jkw h ARG 63 Ca 0.08 -0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.69 1jkw h ARG 63 Cb 0.72 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 1jkw h ARG 63 CO 0.05 0.08 -0.24 1.25 0.56 0.00 0.00 179.97 181.67 1jkw h LEU 64 N 0.00 0.70 -0.50 3.04 5.85 0.86 -2.22 115.31 123.05 1jkw h LEU 64 Ca 0.00 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 1jkw h LEU 64 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1jkw h LEU 64 CO 0.01 1.01 0.01 -0.07 -0.34 0.00 0.00 178.44 179.07 1jkw h LEU 65 N 0.40 0.86 0.25 2.25 3.38 -0.07 -2.54 115.31 119.84 1jkw h LEU 65 Ca 0.05 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1jkw h LEU 65 Cb 0.80 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1jkw h LEU 65 CO 0.06 0.94 -0.13 -0.33 0.09 0.00 0.00 178.44 179.08 1jkw h GLU 66 N 0.74 -0.34 -0.49 1.13 5.08 -1.07 -0.64 114.58 118.99 1jkw h GLU 66 Ca 0.14 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.63 1jkw h GLU 66 Cb 0.50 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 1jkw h GLU 66 CO 0.02 -0.23 -0.21 0.35 -1.00 0.00 0.00 179.01 177.95 1jkw h PHE 67 N -0.36 -0.52 -0.64 4.33 3.57 -1.30 0.58 116.94 122.61 1jkw h PHE 67 Ca -0.03 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 1jkw h PHE 67 Cb 0.28 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1jkw h PHE 67 CO -0.07 -0.29 0.26 0.00 -2.23 0.00 0.00 178.31 175.98 1jkw h SER 69 N 0.91 0.47 1.31 0.00 4.64 0.70 -2.74 113.55 118.85 1jkw h SER 69 Ca 0.22 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1jkw h SER 69 Cb 0.16 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1jkw h SER 69 CO -0.02 0.43 -0.09 0.52 -0.87 0.00 0.00 176.83 176.80 1jkw n VAL 70 N -4.75 0.47 -1.50 0.95 0.31 -0.69 -4.87 118.33 108.25 1jkw n VAL 70 Ca -0.00 -0.24 -0.41 0.00 -0.01 0.00 0.00 64.34 63.67 1jkw n VAL 70 Cb 0.08 -0.50 -0.10 0.00 -0.91 0.00 0.00 33.84 32.41 1jkw n VAL 70 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 1jkw n PHE 71 N -2.12 0.96 -0.25 3.52 7.35 -0.44 -4.81 117.46 121.68 1jkw n PHE 71 Ca 0.05 0.31 -0.06 0.00 -0.76 0.00 0.00 57.45 56.99 1jkw n PHE 71 Cb 0.42 -2.47 -0.01 0.00 0.35 0.00 0.00 39.48 37.77 1jkw n PHE 71 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1jkw h LYS 72 N 14.30 -0.14 -5.73 -4.13 1.63 -1.89 -2.97 116.57 117.63 1jkw h LYS 72 Ca -0.13 0.01 -0.44 0.00 -0.85 0.00 0.00 60.65 59.23 1jkw h LYS 72 Cb 1.30 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.90 1jkw h LYS 72 CO 1.27 -0.09 1.31 -2.14 -3.45 0.00 0.00 179.45 176.34 1jkw s PRO 73 N -5.90 3.03 0.00 1.90 0.02 -1.26 -4.80 135.00 127.98 1jkw s PRO 73 Ca -0.14 -1.11 0.00 0.00 0.02 0.00 0.00 61.00 59.77 1jkw s PRO 73 Cb 0.16 -5.28 0.00 0.00 0.02 0.00 0.00 34.50 29.39 1jkw s PRO 73 CO 0.68 -3.14 0.00 0.00 -0.33 0.00 0.00 177.00 174.22 1jkw n ALA 74 N 12.00 0.00 -2.66 -1.55 0.00 -1.12 -4.84 120.51 122.34 1jkw n ALA 74 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 1jkw n ALA 74 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1jkw n ALA 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1jkw s MET 75 N 0.00 4.24 0.65 0.00 1.75 -1.25 -5.03 119.30 119.66 1jkw s MET 75 Ca 0.00 0.95 -0.17 0.00 -1.25 0.00 0.00 55.69 55.21 1jkw s MET 75 Cb 0.00 -3.60 -0.01 0.00 2.84 0.00 0.00 34.83 34.06 1jkw s MET 75 CO 0.00 -0.39 1.23 -1.25 -0.65 0.00 0.00 175.02 173.96 1jkw s PRO 76 N 2.38 2.61 0.62 4.11 0.04 -1.26 -4.85 135.00 138.65 1jkw s PRO 76 Ca 0.36 1.87 0.39 0.00 0.04 0.00 0.00 61.00 63.66 1jkw s PRO 76 Cb -0.16 -1.88 2.05 0.00 0.04 0.00 0.00 34.50 34.56 1jkw s PRO 76 CO 0.10 -1.50 2.26 0.00 0.04 0.00 0.00 177.00 177.89 1jkw h ARG 77 N 0.43 0.00 -0.59 4.56 3.08 -2.00 -1.46 114.38 118.41 1jkw h ARG 77 Ca -0.50 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.45 1jkw h ARG 77 Cb 1.31 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 1jkw h ARG 77 CO 0.53 0.02 -0.04 0.66 -1.07 0.00 0.00 179.97 180.07 1jkw h SER 78 N 0.00 1.05 0.28 7.04 4.64 -1.99 -1.88 113.55 122.69 1jkw h SER 78 Ca -0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.98 1jkw h SER 78 Cb 0.13 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1jkw h SER 78 CO 0.00 1.12 -0.13 0.58 -0.87 0.00 0.00 176.83 177.53 1jkw h VAL 79 N 0.96 0.77 -0.94 0.95 2.07 -1.62 0.12 116.25 118.56 1jkw h VAL 79 Ca 0.16 -0.34 0.03 0.00 0.82 0.00 0.00 66.70 67.37 1jkw h VAL 79 Cb 0.61 0.96 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1jkw h VAL 79 CO 0.04 0.07 0.62 0.58 0.02 0.00 0.00 177.57 178.90 1jkw h VAL 80 N -0.55 1.19 -0.06 2.57 2.07 -1.51 0.62 116.25 120.58 1jkw h VAL 80 Ca -0.04 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1jkw h VAL 80 Cb 0.40 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.04 1jkw h VAL 80 CO 0.06 0.22 0.00 1.23 0.02 0.00 0.00 177.57 179.10 1jkw h GLY 81 N 1.22 0.11 0.53 2.17 0.00 -1.19 -2.09 103.07 103.82 1jkw h GLY 81 Ca 0.36 -0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.63 1jkw h GLY 81 CO -0.10 0.08 -0.25 -0.84 0.00 0.00 0.00 176.54 175.42 1jkw h THR 82 N -0.18 0.44 -0.70 4.70 2.02 -0.37 -2.31 112.91 116.50 1jkw h THR 82 Ca 0.02 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.35 1jkw h THR 82 Cb 0.33 0.44 -0.11 0.00 -1.74 0.00 0.00 68.15 67.06 1jkw h THR 82 CO 0.00 0.00 0.10 0.00 0.37 0.00 0.00 175.52 176.00 1jkw h ALA 83 N 0.30 0.83 -0.24 6.16 0.00 -0.86 0.41 119.26 125.86 1jkw h ALA 83 Ca 0.03 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jkw h ALA 83 Cb 0.49 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1jkw h ALA 83 CO -0.16 -0.37 -0.16 0.00 0.00 0.00 0.00 179.25 178.57 1jkw h MET 85 N 0.39 1.16 0.51 0.00 -1.53 -0.38 -2.09 114.93 112.98 1jkw h MET 85 Ca 0.07 -0.25 -0.02 0.00 -3.44 0.00 0.00 59.70 56.06 1jkw h MET 85 Cb 0.51 -0.17 0.00 0.00 -0.55 0.00 0.00 31.60 31.39 1jkw h MET 85 CO 0.03 0.98 -0.24 1.88 0.14 0.00 0.00 176.91 179.70 1jkw h TYR 86 N 1.11 -0.63 -0.83 1.39 0.05 -1.08 -0.83 116.97 116.14 1jkw h TYR 86 Ca 0.24 -0.01 0.18 0.00 0.05 0.00 0.00 58.73 59.18 1jkw h TYR 86 Cb 0.30 0.21 -0.11 0.00 1.01 0.00 0.00 36.73 38.14 1jkw h TYR 86 CO 0.03 -0.35 0.34 0.35 -1.05 0.00 0.00 178.16 177.47 1jkw h PHE 87 N -0.78 0.57 0.04 4.88 3.57 -1.32 0.37 116.94 124.26 1jkw h PHE 87 Ca -0.07 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 1jkw h PHE 87 Cb 0.57 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.18 1jkw h PHE 87 CO -0.02 0.01 -0.02 0.87 -2.23 0.00 0.00 178.31 176.92 1jkw h LYS 88 N 0.43 -0.05 -0.32 1.11 1.57 -1.20 -3.05 116.57 115.06 1jkw h LYS 88 Ca 0.48 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.23 1jkw h LYS 88 Cb 0.83 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.13 1jkw h LYS 88 CO -0.47 0.30 0.04 0.00 -0.57 0.00 0.00 179.45 178.76 1jkw h ARG 89 N -0.40 0.48 0.43 3.15 3.08 -0.50 -2.87 114.38 117.75 1jkw h ARG 89 Ca -0.00 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1jkw h ARG 89 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1jkw h ARG 89 CO 0.01 0.48 -0.25 0.35 -1.07 0.00 0.00 179.97 179.48 1jkw h PHE 90 N 0.47 -0.66 0.00 3.04 3.57 -0.24 -2.49 116.94 120.63 1jkw h PHE 90 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1jkw h PHE 90 Cb 0.24 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.22 1jkw h PHE 90 CO 0.01 -0.39 0.00 0.66 -2.23 0.00 0.00 178.31 176.36 1jkw n TYR 91 N -5.39 0.00 0.25 0.41 4.01 -1.16 -2.45 117.16 112.84 1jkw n TYR 91 Ca -0.11 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.77 1jkw n TYR 91 Cb 0.29 0.00 0.54 0.00 -0.31 0.00 0.00 39.34 39.86 1jkw n TYR 91 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1jkw h LEU 92 N 0.00 0.00 -5.00 7.72 4.07 -1.22 -3.30 115.31 117.58 1jkw h LEU 92 Ca 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.64 1jkw h LEU 92 Cb 0.00 0.00 -0.34 0.00 1.08 0.00 0.00 40.66 41.40 1jkw h LEU 92 CO 0.00 0.07 -0.98 0.59 -1.08 0.00 0.00 178.44 177.04 1jkw n ASN 93 N -3.18 0.59 -3.58 -0.43 5.03 -1.03 -3.21 115.26 109.46 1jkw n ASN 93 Ca 0.01 -2.65 -0.14 0.00 0.87 0.00 0.00 54.58 52.68 1jkw n ASN 93 Cb 0.38 -0.14 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 1jkw n ASN 93 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1jkw s ASN 94 N -2.63 -0.57 -0.05 6.41 0.01 -1.21 -4.88 114.94 112.01 1jkw s ASN 94 Ca 0.26 0.82 -0.12 0.00 -0.71 0.00 0.00 52.86 53.11 1jkw s ASN 94 Cb 0.44 0.74 -0.05 0.00 0.41 0.00 0.00 41.25 42.79 1jkw s ASN 94 CO 0.01 -0.39 0.30 -0.55 -1.51 0.00 0.00 177.10 174.96 1jkw s SER 95 N -0.59 6.64 0.51 -1.22 0.15 -1.26 -4.58 113.70 113.34 1jkw s SER 95 Ca -0.04 0.76 0.24 0.00 0.70 0.00 0.00 55.95 57.61 1jkw s SER 95 Cb -0.02 -2.18 1.37 0.00 -1.71 0.00 0.00 66.02 63.48 1jkw s SER 95 CO 0.03 0.35 2.08 1.62 1.20 0.00 0.00 173.24 178.52 1jkw h VAL 96 N 3.85 0.73 -0.02 4.45 3.04 -1.96 -0.67 116.25 125.67 1jkw h VAL 96 Ca -0.52 -0.48 -0.13 0.00 -1.01 0.00 0.00 66.70 64.55 1jkw h VAL 96 Cb 1.22 1.29 -0.02 0.00 -2.01 0.00 0.00 31.29 31.77 1jkw h VAL 96 CO 0.61 0.12 -0.61 0.24 -1.01 0.00 0.00 177.57 176.91 1jkw h MET 97 N 0.00 0.08 0.00 4.17 2.86 -1.94 -3.32 114.93 116.77 1jkw h MET 97 Ca -0.00 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1jkw h MET 97 Cb 0.28 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1jkw h MET 97 CO 0.02 0.67 -0.58 1.49 1.06 0.00 0.00 176.91 179.56 1jkw h GLU 98 N 0.06 0.00 -5.03 1.72 4.81 -1.55 -3.43 114.58 111.15 1jkw h GLU 98 Ca -0.01 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 58.56 1jkw h GLU 98 Cb 1.10 0.00 -0.34 0.00 0.63 0.00 0.00 28.75 30.14 1jkw h GLU 98 CO 0.08 0.95 -0.83 0.71 -0.73 0.00 0.00 179.01 179.19 1jkw s TYR 99 N -2.26 2.85 0.07 0.92 2.02 -0.84 -5.07 117.35 115.03 1jkw s TYR 99 Ca -0.23 -1.55 -0.31 0.00 -0.37 0.00 0.00 57.07 54.62 1jkw s TYR 99 Cb 0.01 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.53 1jkw s TYR 99 CO 0.61 -0.76 1.65 -1.58 -1.57 0.00 0.00 175.55 173.91 1jkw s HIS 100 N 1.32 2.44 -0.74 2.71 2.46 -1.25 -4.44 115.29 117.77 1jkw s HIS 100 Ca 0.04 0.32 0.13 0.00 0.47 0.00 0.00 55.06 56.02 1jkw s HIS 100 Cb -0.14 -3.97 0.59 0.00 -0.13 0.00 0.00 32.58 28.94 1jkw s HIS 100 CO -0.10 -3.87 1.39 -0.35 -2.47 0.00 0.00 174.74 169.34 1jkw n PRO 101 N 5.55 0.06 -0.06 2.88 -0.04 -1.26 -1.18 135.00 140.95 1jkw n PRO 101 Ca 0.16 0.44 -0.10 0.00 -0.04 0.00 0.00 63.50 63.96 1jkw n PRO 101 Cb 0.40 -1.66 0.05 0.00 -0.04 0.00 0.00 33.50 32.25 1jkw n PRO 101 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1jkw h ARG 102 N 0.00 0.75 0.15 0.54 1.12 -1.97 0.06 114.38 115.03 1jkw h ARG 102 Ca 0.00 -0.38 -0.30 0.00 -1.11 0.00 0.00 59.98 58.19 1jkw h ARG 102 Cb 0.14 0.01 0.01 0.00 -0.01 0.00 0.00 29.97 30.11 1jkw h ARG 102 CO 0.00 1.00 -1.50 0.82 -3.11 0.00 0.00 179.97 177.19 1jkw h ILE 103 N 0.61 1.04 -0.50 1.20 2.04 -1.54 -3.12 117.51 117.26 1jkw h ILE 103 Ca 0.05 -2.47 -0.05 0.00 1.00 0.00 0.00 64.86 63.40 1jkw h ILE 103 Cb 0.93 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.78 1jkw h ILE 103 CO 0.09 0.77 0.12 0.40 0.00 0.00 0.00 178.15 179.52 1jkw h ILE 104 N -0.13 1.21 0.39 -0.67 1.08 -1.27 0.12 117.51 118.25 1jkw h ILE 104 Ca -0.30 -0.77 -0.02 0.00 -0.39 0.00 0.00 64.86 63.38 1jkw h ILE 104 Cb 1.90 0.71 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 1jkw h ILE 104 CO 0.12 0.29 -0.21 -0.03 -0.69 0.00 0.00 178.15 177.63 1jkw h MET 105 N 0.74 -0.54 -0.04 2.37 1.85 -1.07 0.53 114.93 118.76 1jkw h MET 105 Ca 0.16 0.04 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 1jkw h MET 105 Cb 0.28 0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 1jkw h MET 105 CO -0.00 -0.36 -0.15 -0.07 -0.40 0.00 0.00 176.91 175.93 1jkw h LEU 106 N -0.56 0.06 -0.53 3.39 3.38 -1.43 -2.08 115.31 117.54 1jkw h LEU 106 Ca -0.05 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 1jkw h LEU 106 Cb 0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1jkw h LEU 106 CO 0.07 0.22 -0.26 0.74 0.09 0.00 0.00 178.44 179.31 1jkw h THR 107 N 0.06 1.27 -0.80 0.22 2.02 -0.18 -2.26 112.91 113.24 1jkw h THR 107 Ca 0.01 -1.42 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 1jkw h THR 107 Cb 0.31 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1jkw h THR 107 CO 0.02 0.48 0.36 0.00 0.37 0.00 0.00 175.52 176.75 1jkw h ALA 109 N 1.24 -0.44 -0.05 0.00 0.00 -1.29 -0.82 119.26 117.90 1jkw h ALA 109 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jkw h ALA 109 Cb 0.16 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jkw h ALA 109 CO -0.03 -0.63 -0.11 0.35 0.00 0.00 0.00 179.25 178.83 1jkw h PHE 110 N -0.68 -0.27 -0.97 0.00 3.57 -1.22 0.53 116.94 117.91 1jkw h PHE 110 Ca -0.05 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1jkw h PHE 110 Cb 0.47 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.28 1jkw h PHE 110 CO 0.00 -0.16 0.62 1.25 -2.23 0.00 0.00 178.31 177.79 1jkw h LEU 111 N -0.16 1.00 -0.74 0.59 5.85 -0.86 -1.65 115.31 119.33 1jkw h LEU 111 Ca 0.06 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1jkw h LEU 111 Cb 0.24 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1jkw h LEU 111 CO -0.14 0.64 0.21 0.00 -0.34 0.00 0.00 178.44 178.81 1jkw h ALA 112 N 1.44 0.97 -0.62 1.25 0.00 0.07 0.14 119.26 122.51 1jkw h ALA 112 Ca 0.42 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jkw h ALA 112 Cb 0.16 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1jkw h ALA 112 CO -0.17 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.15 1jkw h LYS 114 N 0.79 0.08 -0.16 0.00 1.79 -0.42 0.96 116.57 119.62 1jkw h LYS 114 Ca 0.24 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.70 1jkw h LYS 114 Cb -0.03 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.59 1jkw h LYS 114 CO -0.08 0.29 0.06 0.28 -1.08 0.00 0.00 179.45 178.92 1jkw h VAL 115 N -0.15 0.97 -0.01 0.50 2.07 -0.71 -2.77 116.25 116.17 1jkw h VAL 115 Ca 0.02 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jkw h VAL 115 Cb 0.25 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1jkw h VAL 115 CO 0.00 0.03 0.00 0.47 0.02 0.00 0.00 177.57 178.09 1jkw n ASP 116 N -5.04 0.05 -2.77 0.57 9.92 -0.63 -4.89 116.55 113.75 1jkw n ASP 116 Ca -0.04 -1.52 -0.20 0.00 -0.53 0.00 0.00 54.79 52.51 1jkw n ASP 116 Cb 0.06 -0.00 0.01 0.00 -0.64 0.00 0.00 41.12 40.54 1jkw n ASP 116 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jkw n GLU 117 N -0.71 -3.16 -2.28 -1.24 1.02 -0.75 -4.89 120.64 108.63 1jkw n GLU 117 Ca 0.12 0.80 -0.43 0.00 -0.02 0.00 0.00 57.16 57.63 1jkw n GLU 117 Cb 0.06 -5.53 -0.02 0.00 -0.02 0.00 0.00 31.44 25.93 1jkw n GLU 117 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1jkw s PHE 118 N -2.98 2.45 -1.07 -0.32 5.36 0.26 -4.90 117.98 116.79 1jkw s PHE 118 Ca 0.17 0.73 -0.27 0.00 -0.96 0.00 0.00 56.93 56.60 1jkw s PHE 118 Cb -0.08 -3.87 -0.22 0.00 -0.34 0.00 0.00 43.02 38.51 1jkw s PHE 118 CO 0.20 -2.29 2.13 1.21 -1.46 0.00 0.00 175.22 175.01 1jkw s ASN 119 N 3.22 3.43 -0.03 6.13 2.47 -1.26 -4.64 114.94 124.26 1jkw s ASN 119 Ca 0.63 -0.94 -0.02 0.00 0.42 0.00 0.00 52.86 52.95 1jkw s ASN 119 Cb -0.22 -2.60 0.02 0.00 -1.45 0.00 0.00 41.25 37.01 1jkw s ASN 119 CO 0.24 -4.75 0.07 0.54 -3.72 0.00 0.00 177.10 169.49 1jkw s VAL 120 N 17.00 -0.04 0.54 -5.21 0.11 -1.26 -5.14 120.40 126.40 1jkw s VAL 120 Ca 0.82 0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 59.93 1jkw s VAL 120 Cb -0.05 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.64 1jkw s VAL 120 CO 0.18 0.05 0.88 -0.94 -3.33 0.00 0.00 175.10 171.94 1jkw s SER 121 N 0.73 6.12 0.20 3.54 1.04 -1.26 -4.91 113.70 119.15 1jkw s SER 121 Ca -0.06 1.03 -0.11 0.00 0.48 0.00 0.00 55.95 57.29 1jkw s SER 121 Cb -0.08 -2.21 0.13 0.00 0.10 0.00 0.00 66.02 63.96 1jkw s SER 121 CO -0.03 -0.76 1.85 0.77 0.98 0.00 0.00 173.24 176.05 1jkw h SER 122 N -0.02 0.81 0.31 7.02 4.64 -2.01 -0.26 113.55 124.06 1jkw h SER 122 Ca -0.46 -0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 60.77 1jkw h SER 122 Cb 1.21 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1jkw h SER 122 CO 0.62 0.62 -0.24 1.55 -0.87 0.00 0.00 176.83 178.51 1jkw h PRO 123 N 0.94 0.00 0.02 4.77 0.13 -1.98 -1.44 132.00 134.44 1jkw h PRO 123 Ca 0.25 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.38 1jkw h PRO 123 Cb -0.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.07 1jkw h PRO 123 CO -0.05 0.24 -0.01 1.96 -0.23 0.00 0.00 178.00 179.91 1jkw h GLN 124 N 0.00 -0.03 0.05 0.86 4.20 -1.75 -1.37 115.11 117.08 1jkw h GLN 124 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jkw h GLN 124 Cb 0.46 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1jkw h GLN 124 CO 0.03 0.32 -0.16 0.35 -0.67 0.00 0.00 178.83 178.70 1jkw h PHE 125 N -0.39 -0.47 0.00 2.96 3.04 -0.83 -1.15 116.94 120.11 1jkw h PHE 125 Ca -0.00 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1jkw h PHE 125 Cb 0.36 0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.07 1jkw h PHE 125 CO 0.05 -0.19 0.00 -0.39 -2.02 0.00 0.00 178.31 175.76 1jkw h VAL 126 N -0.24 0.00 0.00 1.41 -1.51 -1.37 -0.82 116.25 113.72 1jkw h VAL 126 Ca -0.00 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1jkw h VAL 126 Cb 0.24 0.67 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 1jkw h VAL 126 CO -0.08 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 177.49 1jkw h GLY 127 N 0.69 0.00 0.15 5.19 0.00 -0.01 -2.50 103.07 106.59 1jkw h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jkw h GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 1jkw n ASN 128 N -2.96 0.52 -4.86 0.19 3.02 -0.31 -4.87 115.26 106.00 1jkw n ASN 128 Ca -0.01 -1.50 -0.36 0.00 -0.03 0.00 0.00 54.58 52.68 1jkw n ASN 128 Cb 0.17 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 1jkw n ASN 128 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1jkw s LEU 129 N -1.59 4.40 -1.34 3.41 1.43 -0.94 -4.97 118.68 119.08 1jkw s LEU 129 Ca 0.30 0.81 -0.11 0.00 -1.03 0.00 0.00 54.13 54.09 1jkw s LEU 129 Cb 0.14 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.72 1jkw s LEU 129 CO 0.23 0.25 1.96 0.54 0.23 0.00 0.00 176.35 179.56 1jkw n ARG 130 N 1.30 3.34 -3.90 1.70 3.00 -1.26 -4.84 116.66 116.01 1jkw n ARG 130 Ca -0.11 -3.23 -0.09 0.00 -0.01 0.00 0.00 57.85 54.40 1jkw n ARG 130 Cb 0.53 -3.07 -0.07 0.00 0.00 0.00 0.00 32.46 29.84 1jkw n ARG 130 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1jkw s GLU 131 N 1.52 0.95 1.06 5.56 2.02 -1.26 -5.12 118.70 123.44 1jkw s GLU 131 Ca 0.43 -1.04 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1jkw s GLU 131 Cb 0.10 0.35 0.22 0.00 0.10 0.00 0.00 34.13 34.91 1jkw s GLU 131 CO -0.02 -0.32 1.06 -1.13 0.02 0.00 0.00 175.26 174.87 1jkw n SER 132 N -0.11 -0.80 -0.24 -0.19 3.41 -1.26 -4.62 113.62 109.80 1jkw n SER 132 Ca -0.12 0.11 0.02 0.00 -0.26 0.00 0.00 58.87 58.62 1jkw n SER 132 Cb 0.63 -1.36 0.15 0.00 -0.26 0.00 0.00 64.21 63.37 1jkw n SER 132 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1jkw h PRO 133 N -2.33 0.51 -0.23 4.33 0.11 -1.99 -0.51 132.00 131.88 1jkw h PRO 133 Ca -0.53 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.44 1jkw h PRO 133 Cb 1.30 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jkw h PRO 133 CO 0.45 0.34 -0.33 -0.07 -0.21 0.00 0.00 178.00 178.18 1jkw h LEU 134 N 0.53 0.51 -0.81 2.35 3.38 -1.99 -0.81 115.31 118.46 1jkw h LEU 134 Ca 0.36 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1jkw h LEU 134 Cb 0.44 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1jkw h LEU 134 CO -0.31 0.81 0.51 1.23 0.09 0.00 0.00 178.44 180.76 1jkw h GLY 135 N 1.06 1.17 1.03 0.83 0.00 -1.54 0.11 103.07 105.74 1jkw h GLY 135 Ca 0.05 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 1jkw h GLY 135 CO 0.06 0.46 -0.32 1.46 0.00 0.00 0.00 176.54 178.20 1jkw h GLN 136 N 1.11 0.80 -0.98 4.80 4.20 -0.79 -1.59 115.11 122.66 1jkw h GLN 136 Ca 0.29 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.60 1jkw h GLN 136 Cb -0.07 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.67 1jkw h GLN 136 CO -0.06 1.05 0.65 0.93 -0.67 0.00 0.00 178.83 180.73 1jkw h GLU 137 N 0.58 1.26 -0.49 1.46 4.39 -0.74 -1.30 114.58 119.73 1jkw h GLU 137 Ca 0.05 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.73 1jkw h GLU 137 Cb 0.90 -0.28 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 1jkw h GLU 137 CO 0.08 0.83 0.22 -0.22 -1.16 0.00 0.00 179.01 178.77 1jkw h LYS 138 N 1.29 0.43 -0.89 2.33 3.64 -0.36 -0.01 116.57 123.00 1jkw h LYS 138 Ca 0.37 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.73 1jkw h LYS 138 Cb -0.10 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.58 1jkw h LYS 138 CO -0.09 0.28 0.57 0.00 -2.27 0.00 0.00 179.45 177.93 1jkw h ALA 139 N 1.29 1.33 -0.55 5.00 0.00 -0.51 -0.89 119.26 124.92 1jkw h ALA 139 Ca 0.22 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jkw h ALA 139 Cb 0.17 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1jkw h ALA 139 CO -0.18 0.60 0.33 1.25 0.00 0.00 0.00 179.25 181.25 1jkw h LEU 140 N 1.21 0.64 -0.54 0.00 6.46 -0.07 -1.80 115.31 121.22 1jkw h LEU 140 Ca 0.32 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1jkw h LEU 140 Cb -0.11 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.64 1jkw h LEU 140 CO -0.07 0.50 0.05 -0.33 -0.62 0.00 0.00 178.44 177.97 1jkw h GLU 141 N 0.75 0.92 -0.09 1.25 5.08 0.31 -2.42 114.58 120.38 1jkw h GLU 141 Ca 0.20 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1jkw h GLU 141 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1jkw h GLU 141 CO -0.04 0.91 -0.36 1.96 -1.00 0.00 0.00 179.01 180.48 1jkw h GLN 142 N 0.80 0.19 -0.42 2.33 4.20 -0.66 -1.70 115.11 119.85 1jkw h GLN 142 Ca 0.16 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.67 1jkw h GLN 142 Cb 0.47 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1jkw h GLN 142 CO 0.02 0.53 -0.22 0.82 -0.67 0.00 0.00 178.83 179.30 1jkw h ILE 143 N 0.16 1.28 -0.90 2.54 2.04 -1.19 -1.48 117.51 119.95 1jkw h ILE 143 Ca 0.02 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.51 1jkw h ILE 143 Cb 0.72 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1jkw h ILE 143 CO 0.05 0.46 0.59 0.25 0.00 0.00 0.00 178.15 179.51 1jkw h LEU 144 N 0.71 1.04 -0.12 1.44 5.85 -0.90 0.75 115.31 124.08 1jkw h LEU 144 Ca 0.09 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.81 1jkw h LEU 144 Cb 0.79 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1jkw h LEU 144 CO 0.07 0.76 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.54 1jkw h GLU 145 N 1.22 -0.04 0.00 1.25 4.39 -1.04 -3.16 114.58 117.20 1jkw h GLU 145 Ca 0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.03 1jkw h GLU 145 Cb -0.13 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1jkw h GLU 145 CO -0.07 -0.03 -0.39 0.66 -1.16 0.00 0.00 179.01 178.02 1jkw n TYR 146 N -5.19 0.28 -0.11 4.33 4.02 -0.58 -4.51 117.16 115.40 1jkw n TYR 146 Ca -0.04 0.08 -0.09 0.00 -0.01 0.00 0.00 57.90 57.84 1jkw n TYR 146 Cb 0.12 -0.51 -0.07 0.00 -0.02 0.00 0.00 39.34 38.86 1jkw n TYR 146 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1jkw h GLU 147 N 0.00 -0.25 -0.85 -0.72 4.39 -0.81 0.19 114.58 116.53 1jkw h GLU 147 Ca 0.00 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.75 1jkw h GLU 147 Cb 0.61 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 1jkw h GLU 147 CO 0.00 -0.17 0.54 1.25 -1.16 0.00 0.00 179.01 179.48 1jkw h LEU 148 N -0.26 0.89 0.08 1.33 6.46 -1.79 -0.04 115.31 121.98 1jkw h LEU 148 Ca 0.05 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 1jkw h LEU 148 Cb 0.40 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.10 1jkw h LEU 148 CO -0.43 0.61 -0.28 0.25 -0.62 0.00 0.00 178.44 177.97 1jkw h LEU 149 N 1.04 -0.81 0.14 2.25 5.85 -1.55 0.35 115.31 122.58 1jkw h LEU 149 Ca 0.34 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.18 1jkw h LEU 149 Cb 0.03 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1jkw h LEU 149 CO -0.12 -0.36 -0.34 0.25 -0.34 0.00 0.00 178.44 177.52 1jkw h LEU 150 N -0.47 -0.98 -1.14 2.25 6.46 -0.20 0.17 115.31 121.40 1jkw h LEU 150 Ca 0.04 0.11 0.13 0.00 -0.12 0.00 0.00 57.88 58.04 1jkw h LEU 150 Cb 0.52 0.37 -0.08 0.00 -0.73 0.00 0.00 40.66 40.74 1jkw h LEU 150 CO -0.19 -0.43 0.60 0.40 -0.62 0.00 0.00 178.44 178.20 1jkw h ILE 151 N -0.58 0.88 -0.19 4.05 2.04 -0.45 -2.05 117.51 121.21 1jkw h ILE 151 Ca 0.02 -0.29 -0.09 0.00 1.00 0.00 0.00 64.86 65.50 1jkw h ILE 151 Cb 0.60 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1jkw h ILE 151 CO -0.19 0.16 -0.25 1.56 0.00 0.00 0.00 178.15 179.43 1jkw h GLN 152 N 0.85 0.50 0.00 2.37 4.20 0.21 -2.19 115.11 121.06 1jkw h GLN 152 Ca 0.47 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.90 1jkw h GLN 152 Cb 0.60 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1jkw h GLN 152 CO -0.24 0.88 0.00 1.04 -0.67 0.00 0.00 178.83 179.84 1jkw n GLN 153 N -4.40 0.06 -0.47 1.46 1.13 0.55 -1.44 117.38 114.27 1jkw n GLN 153 Ca -0.06 0.39 0.11 0.00 -1.94 0.00 0.00 57.00 55.50 1jkw n GLN 153 Cb 0.44 -1.64 0.34 0.00 0.11 0.00 0.00 30.24 29.49 1jkw n GLN 153 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1jkw n LEU 154 N -1.75 4.25 -1.70 1.08 4.77 -0.83 -4.77 117.00 118.04 1jkw n LEU 154 Ca 0.02 -2.13 -0.18 0.00 -0.03 0.00 0.00 56.01 53.69 1jkw n LEU 154 Cb 0.13 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 1jkw n LEU 154 CO 0.12 0.92 -0.18 0.59 -1.33 0.00 0.00 177.39 177.50 1jkw n ASN 155 N 1.46 -4.74 -0.14 -1.43 4.13 -0.52 -1.12 115.26 112.89 1jkw n ASN 155 Ca 0.25 0.36 -0.02 0.00 1.68 0.00 0.00 54.58 56.85 1jkw n ASN 155 Cb 0.72 -4.20 -0.01 0.00 -1.54 0.00 0.00 39.78 34.76 1jkw n ASN 155 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 1jkw n PHE 156 N -2.51 0.00 -3.30 3.10 3.72 -0.83 -4.96 117.46 112.67 1jkw n PHE 156 Ca -0.18 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.75 1jkw n PHE 156 Cb 0.60 -0.93 -0.03 0.00 -0.94 0.00 0.00 39.48 38.18 1jkw n PHE 156 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 176.76 175.70 1jkw s HIS 157 N -1.79 3.53 -0.94 1.38 3.76 -0.28 -4.91 115.29 116.05 1jkw s HIS 157 Ca 0.00 -1.68 0.22 0.00 -0.15 0.00 0.00 55.06 53.45 1jkw s HIS 157 Cb 0.00 -3.83 -0.10 0.00 1.11 0.00 0.00 32.58 29.76 1jkw s HIS 157 CO 0.00 -1.03 0.97 1.28 -0.85 0.00 0.00 174.74 175.11 1jkw n LEU 158 N 4.60 0.85 -4.63 0.89 4.77 -1.26 -4.89 117.00 117.34 1jkw n LEU 158 Ca 0.03 -0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.21 1jkw n LEU 158 Cb 0.44 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1jkw n LEU 158 CO 0.42 0.21 0.81 -0.63 -1.33 0.00 0.00 177.39 176.87 1jkw s ILE 159 N -3.03 4.61 -0.12 -0.08 -1.09 -1.26 -5.02 121.20 115.22 1jkw s ILE 159 Ca 0.08 1.50 0.03 0.00 -2.23 0.00 0.00 60.65 60.03 1jkw s ILE 159 Cb 0.16 -4.32 0.01 0.00 -1.58 0.00 0.00 42.46 36.73 1jkw s ILE 159 CO 0.84 -0.40 -0.23 0.54 -1.23 0.00 0.00 174.94 174.46 1jkw s VAL 160 N 3.39 2.03 -0.38 2.92 0.11 -1.26 -5.09 120.40 122.13 1jkw s VAL 160 Ca 0.40 -0.98 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 1jkw s VAL 160 Cb -0.13 -1.78 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 1jkw s VAL 160 CO 0.15 0.55 0.84 -1.00 -3.33 0.00 0.00 175.10 172.30 1jkw s HIS 161 N 0.58 3.08 0.51 1.54 3.76 -1.26 -4.91 115.29 118.60 1jkw s HIS 161 Ca -0.13 0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1jkw s HIS 161 Cb -0.17 -3.53 -0.02 0.00 1.11 0.00 0.00 32.58 29.98 1jkw s HIS 161 CO 0.04 -0.80 0.81 -0.80 -0.85 0.00 0.00 174.74 173.13 1jkw s ASN 162 N 1.89 5.95 0.24 1.40 0.01 -1.26 -4.69 114.94 118.48 1jkw s ASN 162 Ca 0.34 0.75 0.07 0.00 -0.71 0.00 0.00 52.86 53.31 1jkw s ASN 162 Cb -0.13 -1.94 0.24 0.00 0.41 0.00 0.00 41.25 39.83 1jkw s ASN 162 CO 0.18 -0.77 1.55 -0.65 -1.51 0.00 0.00 177.10 175.90 1jkw h PRO 163 N 0.11 0.12 -1.17 -0.60 0.11 -1.96 -3.34 132.00 125.26 1jkw h PRO 163 Ca -0.46 -0.09 0.33 0.00 0.11 0.00 0.00 66.00 65.89 1jkw h PRO 163 Cb 1.23 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1jkw h PRO 163 CO 0.61 0.74 0.79 1.88 -0.21 0.00 0.00 178.00 181.80 1jkw h TYR 164 N 0.08 0.38 0.58 0.65 0.05 -1.95 -1.90 116.97 114.86 1jkw h TYR 164 Ca -0.01 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1jkw h TYR 164 Cb 1.18 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 38.82 1jkw h TYR 164 CO 0.01 -0.01 -0.28 -0.09 -1.05 0.00 0.00 178.16 176.75 1jkw h ARG 165 N 0.19 -0.75 0.00 4.88 2.43 -1.98 -2.25 114.38 116.90 1jkw h ARG 165 Ca 0.63 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.85 1jkw h ARG 165 Cb 2.02 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 31.75 1jkw h ARG 165 CO -0.20 -0.50 0.00 -0.35 -1.51 0.00 0.00 179.97 177.41 1jkw n PRO 166 N -5.25 0.17 0.12 0.20 -0.04 -1.05 -2.15 135.00 127.00 1jkw n PRO 166 Ca -0.10 0.52 -0.10 0.00 -0.04 0.00 0.00 63.50 63.79 1jkw n PRO 166 Cb 0.31 -1.91 -0.06 0.00 -0.04 0.00 0.00 33.50 31.80 1jkw n PRO 166 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1jkw h PHE 167 N 0.00 -0.35 -0.58 0.54 3.57 -1.25 -1.47 116.94 117.40 1jkw h PHE 167 Ca 0.00 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.66 1jkw h PHE 167 Cb 0.19 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 1jkw h PHE 167 CO 0.00 -0.02 0.45 0.93 -2.23 0.00 0.00 178.31 177.44 1jkw h GLU 168 N -0.96 0.00 0.07 1.11 4.39 -0.88 -1.00 114.58 117.31 1jkw h GLU 168 Ca -0.04 0.00 -0.28 0.00 0.34 0.00 0.00 59.36 59.38 1jkw h GLU 168 Cb 0.49 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.16 1jkw h GLU 168 CO 0.06 0.00 -1.15 0.78 -1.16 0.00 0.00 179.01 177.54 1jkw h GLY 169 N 0.00 0.69 1.15 -3.84 0.00 -1.40 -2.24 103.07 97.43 1jkw h GLY 169 Ca 0.28 -1.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.14 1jkw h GLY 169 CO -0.00 1.18 -0.21 0.74 0.00 0.00 0.00 176.54 178.25 1jkw h PHE 170 N 0.30 1.11 -0.79 5.60 0.04 -0.23 -0.36 116.94 122.60 1jkw h PHE 170 Ca -0.16 -0.26 -0.01 0.00 2.80 0.00 0.00 57.97 60.35 1jkw h PHE 170 Cb 1.82 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 39.67 1jkw h PHE 170 CO 0.10 1.08 0.47 1.25 -0.60 0.00 0.00 178.31 180.61 1jkw h LEU 171 N 0.84 0.96 -0.19 1.54 5.85 -1.25 0.12 115.31 123.19 1jkw h LEU 171 Ca 0.11 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1jkw h LEU 171 Cb 0.78 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1jkw h LEU 171 CO 0.06 0.75 0.04 0.40 -0.34 0.00 0.00 178.44 179.35 1jkw h ILE 172 N 1.09 1.21 -0.03 4.05 5.03 -1.17 -2.23 117.51 125.46 1jkw h ILE 172 Ca 0.28 -0.68 0.03 0.00 -0.12 0.00 0.00 64.86 64.37 1jkw h ILE 172 Cb -0.03 1.30 -0.04 0.00 -3.03 0.00 0.00 36.82 35.03 1jkw h ILE 172 CO -0.05 0.21 -0.17 -0.78 -0.68 0.00 0.00 178.15 176.68 1jkw h ASP 173 N 0.11 -0.50 0.02 1.72 3.58 -0.60 -2.53 116.42 118.22 1jkw h ASP 173 Ca 0.06 0.08 0.02 0.00 0.42 0.00 0.00 57.03 57.60 1jkw h ASP 173 Cb 0.28 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1jkw h ASP 173 CO 0.00 -0.23 -0.13 -0.07 -2.88 0.00 0.00 179.24 175.93 1jkw h LEU 174 N -0.26 -0.38 -2.26 2.28 3.38 -0.95 -1.41 115.31 115.70 1jkw h LEU 174 Ca 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1jkw h LEU 174 Cb 0.35 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jkw h LEU 174 CO -0.18 -0.19 -0.04 0.07 0.09 0.00 0.00 178.44 178.19 1jkw h LYS 175 N -0.23 0.00 0.00 1.13 2.10 -1.23 0.20 116.57 118.53 1jkw h LYS 175 Ca 0.04 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.49 1jkw h LYS 175 Cb 0.28 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.57 1jkw h LYS 175 CO -0.11 0.04 -1.76 0.25 -2.00 0.00 0.00 179.45 175.87 1jkw n THR 176 N -3.85 1.07 0.12 0.07 -2.24 -0.97 -3.79 114.28 104.69 1jkw n THR 176 Ca -0.03 -0.71 0.07 0.00 -2.27 0.00 0.00 64.05 61.12 1jkw n THR 176 Cb 0.13 -0.57 0.03 0.00 -2.10 0.00 0.00 70.33 67.82 1jkw n THR 176 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jkw h ARG 177 N 0.00 0.00 -2.05 -0.78 2.43 -0.69 -3.39 114.38 109.90 1jkw h ARG 177 Ca -0.24 0.00 -0.57 0.00 -0.81 0.00 0.00 59.98 58.37 1jkw h ARG 177 Cb 1.67 0.00 -0.39 0.00 -0.42 0.00 0.00 29.97 30.83 1jkw h ARG 177 CO 0.04 0.17 -1.06 0.66 -1.51 0.00 0.00 179.97 178.26 1jkw n TYR 178 N -2.94 -0.15 0.11 2.20 4.01 0.65 -4.97 117.16 116.07 1jkw n TYR 178 Ca -0.01 -3.58 0.03 0.00 -0.16 0.00 0.00 57.90 54.19 1jkw n TYR 178 Cb 0.65 -0.31 0.19 0.00 -0.31 0.00 0.00 39.34 39.56 1jkw n TYR 178 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1jkw n PRO 179 N 1.51 0.05 0.19 -0.72 -0.02 -1.25 -1.54 135.00 133.22 1jkw n PRO 179 Ca 0.22 0.44 -0.15 0.00 -2.02 0.00 0.00 63.50 62.00 1jkw n PRO 179 Cb 0.52 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 1jkw n PRO 179 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jkw h ILE 180 N 0.00 0.70 -0.15 4.25 5.03 -1.93 -2.86 117.51 122.55 1jkw h ILE 180 Ca 0.00 -0.05 -0.68 0.00 -0.12 0.00 0.00 64.86 64.01 1jkw h ILE 180 Cb 0.70 0.73 0.01 0.00 -3.03 0.00 0.00 36.82 35.22 1jkw h ILE 180 CO 0.00 0.01 3.68 0.00 -0.68 0.00 0.00 178.15 181.16 1jkw n LEU 181 N -5.26 8.69 -0.47 1.44 -0.00 -0.59 -4.36 117.00 116.45 1jkw n LEU 181 Ca -0.10 -4.44 0.09 0.00 -0.00 0.00 0.00 56.01 51.56 1jkw n LEU 181 Cb 0.19 -1.53 0.34 0.00 -0.00 0.00 0.00 43.42 42.42 1jkw n LEU 181 CO 0.35 2.08 0.75 -0.62 -0.00 0.00 0.00 177.39 179.94 1jkw n GLU 182 N 3.34 1.61 -2.78 1.47 1.02 -1.08 -4.05 120.64 120.16 1jkw n GLU 182 Ca 0.77 -0.92 -0.37 0.00 -0.02 0.00 0.00 57.16 56.62 1jkw n GLU 182 Cb 0.23 -1.34 -0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1jkw n GLU 182 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1jkw n ASN 183 N 0.16 6.41 0.00 1.62 5.15 -1.26 -4.78 115.26 122.55 1jkw n ASN 183 Ca 0.14 -3.65 0.14 0.00 -0.60 0.00 0.00 54.58 50.61 1jkw n ASN 183 Cb 0.27 -1.00 0.74 0.00 -0.53 0.00 0.00 39.78 39.25 1jkw n ASN 183 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1jkw n PRO 184 N 0.06 0.42 -0.06 1.20 -0.02 -1.26 -3.31 135.00 132.04 1jkw n PRO 184 Ca 0.40 0.01 0.17 0.00 -2.02 0.00 0.00 63.50 62.06 1jkw n PRO 184 Cb 0.31 -1.50 0.60 0.00 -0.02 0.00 0.00 33.50 32.89 1jkw n PRO 184 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jkw h GLU 185 N 0.00 0.19 0.00 -0.52 5.08 -1.95 0.50 114.58 117.88 1jkw h GLU 185 Ca 0.00 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 1jkw h GLU 185 Cb 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jkw h GLU 185 CO 0.00 0.12 -0.13 0.82 -1.00 0.00 0.00 179.01 178.82 1jkw h ILE 186 N 0.19 1.61 0.12 3.13 2.04 -1.98 -2.96 117.51 119.66 1jkw h ILE 186 Ca 0.29 -1.97 0.02 0.00 1.00 0.00 0.00 64.86 64.20 1jkw h ILE 186 Cb 0.87 2.91 -0.04 0.00 -0.74 0.00 0.00 36.82 39.82 1jkw h ILE 186 CO -0.05 0.53 -0.36 0.25 0.00 0.00 0.00 178.15 178.52 1jkw h LEU 187 N -0.68 -1.04 -0.18 1.44 6.46 -1.22 -2.50 115.31 117.58 1jkw h LEU 187 Ca -0.02 0.12 0.03 0.00 -0.12 0.00 0.00 57.88 57.89 1jkw h LEU 187 Cb 0.93 0.39 -0.06 0.00 -0.73 0.00 0.00 40.66 41.20 1jkw h LEU 187 CO 0.03 -0.44 -0.45 -0.09 -0.62 0.00 0.00 178.44 176.86 1jkw h ARG 188 N -0.59 -0.41 -0.84 1.25 2.43 -0.21 0.14 114.38 116.15 1jkw h ARG 188 Ca 0.03 0.03 0.17 0.00 -0.81 0.00 0.00 59.98 59.40 1jkw h ARG 188 Cb 0.62 0.09 -0.11 0.00 -0.42 0.00 0.00 29.97 30.16 1jkw h ARG 188 CO -0.21 -0.27 0.39 -0.22 -1.51 0.00 0.00 179.97 178.14 1jkw h LYS 189 N -0.43 0.49 -0.12 0.20 3.64 -1.39 0.36 116.57 119.31 1jkw h LYS 189 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1jkw h LYS 189 Cb 0.53 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1jkw h LYS 189 CO -0.40 0.32 0.01 1.15 -2.27 0.00 0.00 179.45 178.26 1jkw h THR 190 N 0.50 1.23 0.00 1.00 2.02 -0.97 -1.56 112.91 115.13 1jkw h THR 190 Ca 0.49 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1jkw h THR 190 Cb 0.79 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1jkw h THR 190 CO -0.43 0.21 -0.18 0.00 0.37 0.00 0.00 175.52 175.49 1jkw h ALA 191 N 0.78 1.43 -0.01 6.16 0.00 0.18 -1.16 119.26 126.64 1jkw h ALA 191 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1jkw h ALA 191 Cb 0.31 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1jkw h ALA 191 CO 0.00 0.22 -0.33 0.22 0.00 0.00 0.00 179.25 179.37 1jkw h ASP 192 N 0.00 0.30 -0.83 0.00 3.58 -0.17 -1.85 116.42 117.44 1jkw h ASP 192 Ca -0.00 -0.76 0.11 0.00 0.42 0.00 0.00 57.03 56.79 1jkw h ASP 192 Cb 0.38 -0.09 -0.08 0.00 1.72 0.00 0.00 39.33 41.26 1jkw h ASP 192 CO 0.02 1.02 0.46 0.44 -2.88 0.00 0.00 179.24 178.31 1jkw h ASP 193 N -0.39 0.64 0.23 2.28 5.19 -0.64 -0.79 116.42 122.94 1jkw h ASP 193 Ca -0.04 0.06 -0.15 0.00 -0.62 0.00 0.00 57.03 56.28 1jkw h ASP 193 Cb 1.06 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1jkw h ASP 193 CO 0.06 0.35 -0.57 0.15 -3.12 0.00 0.00 179.24 176.12 1jkw h PHE 194 N 0.75 0.44 -0.57 4.55 3.57 -1.27 -2.82 116.94 121.59 1jkw h PHE 194 Ca 0.41 -0.16 -0.07 0.00 3.53 0.00 0.00 57.97 61.68 1jkw h PHE 194 Cb 0.43 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1jkw h PHE 194 CO -0.07 0.83 0.06 1.25 -2.23 0.00 0.00 178.31 178.15 1jkw h LEU 195 N 0.26 0.89 -1.46 0.59 5.85 -0.35 -2.33 115.31 118.76 1jkw h LEU 195 Ca 0.00 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 1jkw h LEU 195 Cb 1.07 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.85 1jkw h LEU 195 CO 0.09 0.91 0.08 0.78 -0.34 0.00 0.00 178.44 179.97 1jkw h ASN 196 N 0.87 0.40 -0.21 1.25 -0.26 -0.95 -0.63 115.58 116.05 1jkw h ASN 196 Ca 0.17 -0.05 -0.19 0.00 -0.56 0.00 0.00 56.30 55.68 1jkw h ASN 196 Cb 0.43 -0.10 0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1jkw h ASN 196 CO 0.01 0.41 -0.62 0.03 -1.06 0.00 0.00 177.43 176.20 1jkw h ARG 197 N 0.44 0.79 -0.26 0.81 3.08 -1.32 -3.16 114.38 114.76 1jkw h ARG 197 Ca 0.11 -0.57 -0.02 0.00 0.07 0.00 0.00 59.98 59.57 1jkw h ARG 197 Cb 0.16 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1jkw h ARG 197 CO -0.01 1.19 0.10 0.82 -1.07 0.00 0.00 179.97 181.01 1jkw h ILE 198 N 0.53 1.18 0.00 2.04 2.04 -0.88 -2.07 117.51 120.35 1jkw h ILE 198 Ca -0.02 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.31 1jkw h ILE 198 Cb 1.24 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.37 1jkw h ILE 198 CO 0.13 0.18 0.30 0.00 0.00 0.00 0.00 178.15 178.76 1jkw h ALA 199 N 0.94 1.25 -0.01 1.87 0.00 -1.16 0.25 119.26 122.40 1jkw h ALA 199 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jkw h ALA 199 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jkw h ALA 199 CO -0.01 -0.25 -0.43 1.28 0.00 0.00 0.00 179.25 179.84 1jkw n LEU 200 N -2.45 1.28 0.00 0.00 4.77 -0.78 -4.91 117.00 114.91 1jkw n LEU 200 Ca -0.01 -0.41 -0.17 0.00 -0.03 0.00 0.00 56.01 55.38 1jkw n LEU 200 Cb 0.33 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1jkw n LEU 200 CO 0.09 0.25 0.21 0.35 -1.33 0.00 0.00 177.39 176.96 1jkw n THR 201 N -0.64 0.00 1.94 -5.08 -2.24 0.86 -5.00 114.28 104.12 1jkw n THR 201 Ca 0.10 -1.61 0.09 0.00 -2.27 0.00 0.00 64.05 60.36 1jkw n THR 201 Cb 0.38 -0.44 0.53 0.00 -2.10 0.00 0.00 70.33 68.70 1jkw n THR 201 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1jkw n ASP 202 N -2.25 0.13 -0.32 3.42 8.00 -1.26 -4.09 116.55 120.17 1jkw n ASP 202 Ca 0.08 -1.45 0.12 0.00 0.71 0.00 0.00 54.79 54.24 1jkw n ASP 202 Cb 0.48 -0.01 0.29 0.00 -0.02 0.00 0.00 41.12 41.87 1jkw n ASP 202 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jkw h ALA 203 N 3.61 1.51 -0.46 2.24 0.00 -1.94 0.24 119.26 124.45 1jkw h ALA 203 Ca 0.00 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jkw h ALA 203 Cb 0.04 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1jkw h ALA 203 CO 0.00 -0.15 0.31 1.88 0.00 0.00 0.00 179.25 181.29 1jkw h TYR 204 N 0.62 0.51 0.00 0.00 -1.99 -1.81 0.62 116.97 114.92 1jkw h TYR 204 Ca 0.55 0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.29 1jkw h TYR 204 Cb 0.89 -0.17 0.00 0.00 2.00 0.00 0.00 36.73 39.45 1jkw h TYR 204 CO -0.06 0.30 -0.35 1.28 -0.00 0.00 0.00 178.16 179.33 1jkw n LEU 205 N -4.47 0.58 -0.05 3.88 4.77 0.72 -4.31 117.00 118.13 1jkw n LEU 205 Ca 0.05 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 1jkw n LEU 205 Cb 0.13 -0.28 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 1jkw n LEU 205 CO 0.35 -0.04 -0.89 0.18 -1.33 0.00 0.00 177.39 175.66 1jkw n LEU 206 N -1.94 0.00 -4.40 2.23 4.32 0.03 -2.05 117.00 115.19 1jkw n LEU 206 Ca 0.05 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.83 1jkw n LEU 206 Cb 0.40 0.21 -0.09 0.00 -1.62 0.00 0.00 43.42 42.33 1jkw n LEU 206 CO 0.33 0.21 -0.20 -0.31 -1.22 0.00 0.00 177.39 176.21 1jkw s TYR 207 N -2.83 1.70 0.59 -1.77 2.02 -0.15 -4.71 117.35 112.19 1jkw s TYR 207 Ca -0.08 -1.33 -0.15 0.00 -0.37 0.00 0.00 57.07 55.15 1jkw s TYR 207 Cb 0.08 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 1jkw s TYR 207 CO 0.73 -0.43 1.03 0.95 -1.57 0.00 0.00 175.55 176.26 1jkw s THR 208 N -3.45 4.17 0.39 -0.71 -4.23 -1.26 -4.81 115.64 105.74 1jkw s THR 208 Ca 0.32 0.94 0.24 0.00 -1.18 0.00 0.00 61.69 62.01 1jkw s THR 208 Cb 0.04 -3.54 0.25 0.00 1.34 0.00 0.00 72.50 70.59 1jkw s THR 208 CO 0.17 -0.70 2.01 1.55 -0.54 0.00 0.00 174.62 177.11 1jkw h PRO 209 N 0.30 0.00 -0.23 3.99 0.13 -1.88 -2.32 132.00 131.99 1jkw h PRO 209 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1jkw h PRO 209 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1jkw h PRO 209 CO 0.59 0.17 -0.14 0.77 -0.23 0.00 0.00 178.00 179.15 1jkw h SER 210 N 0.00 0.53 -0.52 1.44 0.02 -1.90 0.29 113.55 113.41 1jkw h SER 210 Ca -0.00 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.50 1jkw h SER 210 Cb 0.41 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1jkw h SER 210 CO 0.02 0.85 0.27 1.56 -1.14 0.00 0.00 176.83 178.38 1jkw h GLN 211 N 0.22 0.78 -0.38 3.45 4.20 -1.92 0.29 115.11 121.75 1jkw h GLN 211 Ca 0.05 -0.09 -0.15 0.00 0.06 0.00 0.00 58.65 58.51 1jkw h GLN 211 Cb 0.66 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 1jkw h GLN 211 CO 0.04 0.60 -0.35 0.82 -0.67 0.00 0.00 178.83 179.27 1jkw h ILE 212 N 0.78 1.28 -0.25 2.54 2.04 -1.07 -0.71 117.51 122.12 1jkw h ILE 212 Ca 0.19 -1.52 -0.12 0.00 1.00 0.00 0.00 64.86 64.41 1jkw h ILE 212 Cb 0.08 1.39 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1jkw h ILE 212 CO -0.03 0.51 -0.31 0.00 0.00 0.00 0.00 178.15 178.33 1jkw h ALA 213 N 0.77 0.38 -0.35 1.87 0.00 0.20 -2.58 119.26 119.55 1jkw h ALA 213 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1jkw h ALA 213 Cb 0.94 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1jkw h ALA 213 CO 0.09 0.40 0.22 1.25 0.00 0.00 0.00 179.25 181.21 1jkw h LEU 214 N 0.37 0.38 -1.33 0.00 5.85 -0.38 -2.08 115.31 118.11 1jkw h LEU 214 Ca 0.03 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1jkw h LEU 214 Cb 0.88 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1jkw h LEU 214 CO 0.07 0.27 0.19 0.74 -0.34 0.00 0.00 178.44 179.38 1jkw h THR 215 N 0.45 1.17 -0.42 1.05 2.02 -1.08 -0.11 112.91 115.99 1jkw h THR 215 Ca 0.13 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1jkw h THR 215 Cb -0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1jkw h THR 215 CO -0.04 0.20 -0.09 0.00 0.37 0.00 0.00 175.52 175.97 1jkw h ALA 216 N 1.57 0.58 0.31 6.16 0.00 -1.00 -1.93 119.26 124.94 1jkw h ALA 216 Ca 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1jkw h ALA 216 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1jkw h ALA 216 CO -0.02 0.45 -0.15 0.82 0.00 0.00 0.00 179.25 180.35 1jkw h ILE 217 N 0.63 0.10 -0.67 0.00 2.04 -1.01 -2.57 117.51 116.05 1jkw h ILE 217 Ca 0.11 -0.74 0.06 0.00 1.00 0.00 0.00 64.86 65.29 1jkw h ILE 217 Cb 0.61 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.83 1jkw h ILE 217 CO 0.04 0.03 0.44 -0.07 0.00 0.00 0.00 178.15 178.59 1jkw h LEU 218 N -1.09 0.60 0.00 1.44 3.38 -1.14 0.47 115.31 118.97 1jkw h LEU 218 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1jkw h LEU 218 Cb 0.36 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1jkw h LEU 218 CO 0.07 0.39 -0.05 -1.20 0.09 0.00 0.00 178.44 177.73 1jkw n SER 219 N -4.48 0.50 -0.06 -0.43 7.64 -0.73 -2.35 113.62 113.72 1jkw n SER 219 Ca 0.09 0.49 -0.20 0.00 1.01 0.00 0.00 58.87 60.27 1jkw n SER 219 Cb 0.22 -0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 1jkw n SER 219 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1jkw n SER 220 N -1.94 2.04 0.01 6.43 3.41 -0.01 -2.48 113.62 121.07 1jkw n SER 220 Ca 0.06 0.04 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 1jkw n SER 220 Cb 0.39 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 1jkw n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jkw h ALA 221 N 0.05 0.01 -0.92 7.33 0.00 -1.18 -0.27 119.26 124.28 1jkw h ALA 221 Ca -0.50 0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1jkw h ALA 221 Cb 1.97 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.86 1jkw h ALA 221 CO 0.00 -0.53 0.60 1.03 0.00 0.00 0.00 179.25 180.35 1jkw h SER 222 N -0.08 0.93 -0.24 0.00 0.87 -1.43 0.18 113.55 113.77 1jkw h SER 222 Ca 0.06 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1jkw h SER 222 Cb 0.17 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 1jkw h SER 222 CO -0.14 0.59 0.15 -0.09 -0.53 0.00 0.00 176.83 176.81 1jkw h ARG 223 N 1.05 0.35 0.00 2.24 2.43 -0.90 -1.61 114.38 117.94 1jkw h ARG 223 Ca 0.40 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1jkw h ARG 223 Cb 0.19 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1jkw h ARG 223 CO -0.15 0.26 0.00 0.00 -1.51 0.00 0.00 179.97 178.57 1jkw h ALA 224 N 1.80 1.00 0.00 2.80 0.00 0.99 -3.48 119.26 122.37 1jkw h ALA 224 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jkw h ALA 224 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jkw h ALA 224 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1jkw n GLY 225 N 0.70 3.38 3.67 0.00 0.00 -0.61 -5.09 105.19 107.25 1jkw n GLY 225 Ca 0.03 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 1jkw n GLY 225 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1jkw n ILE 226 N 0.00 3.69 -3.71 -0.61 0.00 -1.23 -4.84 119.36 112.66 1jkw n ILE 226 Ca 0.00 -0.50 -0.14 0.00 0.00 0.00 0.00 62.75 62.11 1jkw n ILE 226 Cb 0.00 -1.36 -0.14 0.00 0.00 0.00 0.00 39.64 38.14 1jkw n ILE 226 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1jkw s THR 227 N -1.39 -0.16 -0.89 9.51 2.01 -1.26 -3.21 115.64 120.25 1jkw s THR 227 Ca 0.73 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.91 1jkw s THR 227 Cb -0.43 -0.32 0.22 0.00 0.01 0.00 0.00 72.50 71.98 1jkw s THR 227 CO 0.48 0.10 0.80 -0.04 -0.69 0.00 0.00 174.62 175.27 1jkw s MET 228 N 1.67 3.44 0.41 4.92 -1.94 -1.26 -4.92 119.30 121.62 1jkw s MET 228 Ca -0.04 -3.02 0.23 0.00 -1.71 0.00 0.00 55.69 51.15 1jkw s MET 228 Cb -0.11 -4.14 1.25 0.00 2.01 0.00 0.00 34.83 33.84 1jkw s MET 228 CO -0.07 -1.25 1.67 0.93 -0.01 0.00 0.00 175.02 176.29 1jkw h GLU 229 N 6.61 0.00 -0.09 2.03 5.08 -2.04 -0.83 114.58 125.34 1jkw h GLU 229 Ca 0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jkw h GLU 229 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1jkw h GLU 229 CO 0.85 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.73 1jkw n SER 230 N -2.38 2.94 0.34 1.42 3.41 -1.26 -4.74 113.62 113.36 1jkw n SER 230 Ca -0.02 -1.93 -0.13 0.00 -0.26 0.00 0.00 58.87 56.53 1jkw n SER 230 Cb 0.17 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1jkw n SER 230 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1jkw h TYR 231 N 4.34 -0.81 0.97 7.33 3.20 -1.57 -1.41 116.97 129.02 1jkw h TYR 231 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 1jkw h TYR 231 Cb 0.93 0.27 0.01 0.00 1.54 0.00 0.00 36.73 39.48 1jkw h TYR 231 CO 0.04 -0.51 -0.48 -0.07 -1.64 0.00 0.00 178.16 175.51 1jkw h LEU 232 N -0.92 -1.13 -0.07 2.82 3.38 -1.85 -2.29 115.31 115.24 1jkw h LEU 232 Ca -0.09 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1jkw h LEU 232 Cb 0.67 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1jkw h LEU 232 CO 0.15 -0.80 -0.41 0.77 0.09 0.00 0.00 178.44 178.24 1jkw h SER 233 N -1.31 -1.31 0.96 -0.43 4.64 -1.81 0.41 113.55 114.70 1jkw h SER 233 Ca -0.13 0.15 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 1jkw h SER 233 Cb 1.01 0.51 0.01 0.00 -0.31 0.00 0.00 62.40 63.62 1jkw h SER 233 CO 0.21 -0.38 -0.46 -0.08 -0.87 0.00 0.00 176.83 175.25 1jkw h GLU 234 N -0.46 -1.24 0.42 4.77 4.81 -1.37 -3.26 114.58 118.25 1jkw h GLU 234 Ca 0.02 0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1jkw h GLU 234 Cb 0.53 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.19 1jkw h GLU 234 CO -0.32 -0.83 -0.20 1.03 -0.73 0.00 0.00 179.01 177.96 1jkw h SER 235 N -1.31 -0.48 -0.18 1.04 0.87 -1.45 -3.35 113.55 108.69 1jkw h SER 235 Ca -0.13 -0.06 -0.37 0.00 -1.23 0.00 0.00 61.79 60.00 1jkw h SER 235 Cb 0.99 0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 63.01 1jkw h SER 235 CO 0.22 -0.05 0.92 0.18 -0.53 0.00 0.00 176.83 177.56 1jkw n LEU 236 N -5.16 6.42 0.11 2.23 4.77 0.14 -3.62 117.00 121.89 1jkw n LEU 236 Ca -0.08 -3.67 -0.02 0.00 -0.03 0.00 0.00 56.01 52.21 1jkw n LEU 236 Cb 0.26 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1jkw n LEU 236 CO 0.22 1.82 0.33 -0.03 -1.33 0.00 0.00 177.39 178.40 1jkw h MET 237 N 3.59 0.00 -7.10 3.23 4.05 -1.65 -3.42 114.93 113.62 1jkw h MET 237 Ca 0.41 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 59.33 1jkw h MET 237 Cb 1.05 0.00 0.07 0.00 -0.80 0.00 0.00 31.60 31.92 1jkw h MET 237 CO 0.76 0.71 0.42 -0.48 0.23 0.00 0.00 176.91 178.56 1jkw s LEU 238 N -6.58 3.71 -0.16 3.39 0.05 -1.24 -5.07 118.68 112.79 1jkw s LEU 238 Ca 0.03 2.13 -0.08 0.00 0.05 0.00 0.00 54.13 56.26 1jkw s LEU 238 Cb 0.09 -4.57 0.06 0.00 -2.05 0.00 0.00 46.19 39.72 1jkw s LEU 238 CO 0.78 -1.22 0.37 -1.59 -0.55 0.00 0.00 176.35 174.14 1jkw s LYS 239 N -3.38 0.33 -0.10 1.48 0.00 -1.26 -5.04 119.74 111.76 1jkw s LYS 239 Ca 0.71 0.81 -0.00 0.00 0.00 0.00 0.00 55.97 57.49 1jkw s LYS 239 Cb -0.23 0.04 -0.06 0.00 0.00 0.00 0.00 37.83 37.58 1jkw s LYS 239 CO 0.28 -0.19 -0.10 -1.91 0.00 0.00 0.00 175.35 173.43 1jkw n GLU 240 N 4.62 0.24 -3.82 1.78 4.07 -1.26 -4.96 120.64 121.32 1jkw n GLU 240 Ca -0.19 0.06 -0.36 0.00 -0.06 0.00 0.00 57.16 56.62 1jkw n GLU 240 Cb 0.53 -1.14 -0.12 0.00 -0.06 0.00 0.00 31.44 30.64 1jkw n GLU 240 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1jkw s ASN 241 N -5.12 5.14 0.00 4.31 0.02 -1.26 -5.01 114.94 113.02 1jkw s ASN 241 Ca -0.13 -1.54 0.00 0.00 -1.02 0.00 0.00 52.86 50.16 1jkw s ASN 241 Cb 0.04 -1.80 0.00 0.00 0.02 0.00 0.00 41.25 39.51 1jkw s ASN 241 CO 0.22 -0.39 0.00 -1.14 0.02 0.00 0.00 177.10 175.81 1jkw n ARG 242 N 4.66 0.00 0.00 -0.60 3.00 -1.26 -4.98 116.66 117.48 1jkw n ARG 242 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1jkw n ARG 242 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.89 1jkw n ARG 242 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1jkw n THR 243 N 0.00 0.00 -2.49 5.15 5.66 -1.26 -4.84 114.28 116.49 1jkw n THR 243 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1jkw n THR 243 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1jkw n THR 243 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1jkw n LEU 245 N 9.76 0.00 -0.32 0.00 7.94 -1.26 -1.87 117.00 131.25 1jkw n LEU 245 Ca 0.05 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.92 1jkw n LEU 245 Cb 0.49 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.44 1jkw n LEU 245 CO 0.71 0.00 0.45 -0.24 -1.11 0.00 0.00 177.39 177.20 1jkw n SER 246 N 0.00 -0.64 -0.14 1.96 2.88 -1.26 -0.69 113.62 115.74 1jkw n SER 246 Ca 0.00 1.43 -0.03 0.00 -1.33 0.00 0.00 58.87 58.94 1jkw n SER 246 Cb 0.00 -0.28 0.04 0.00 -0.75 0.00 0.00 64.21 63.22 1jkw n SER 246 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1jkw h GLN 247 N 0.00 0.09 -0.63 -1.46 7.50 -1.72 -0.06 115.11 118.83 1jkw h GLN 247 Ca 0.24 -0.01 0.08 0.00 0.50 0.00 0.00 58.65 59.46 1jkw h GLN 247 Cb 0.44 -0.02 -0.06 0.00 0.05 0.00 0.00 27.48 27.88 1jkw h GLN 247 CO -0.80 0.06 0.29 1.25 -1.50 0.00 0.00 178.83 178.14 1jkw h LEU 248 N 0.10 0.38 -1.38 1.46 5.85 -1.13 0.50 115.31 121.07 1jkw h LEU 248 Ca 0.22 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 1jkw h LEU 248 Cb 0.33 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1jkw h LEU 248 CO -0.38 0.23 0.02 -0.07 -0.34 0.00 0.00 178.44 177.90 1jkw h LEU 249 N 0.53 0.39 -0.21 2.25 3.38 -0.19 0.30 115.31 121.76 1jkw h LEU 249 Ca 0.30 -0.06 -0.22 0.00 0.09 0.00 0.00 57.88 58.00 1jkw h LEU 249 Cb 0.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1jkw h LEU 249 CO -0.25 0.44 -0.87 0.44 0.09 0.00 0.00 178.44 178.30 1jkw h ASP 250 N 0.42 0.65 -0.52 -0.43 3.32 0.36 -2.34 116.42 117.87 1jkw h ASP 250 Ca 0.09 -0.48 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 1jkw h ASP 250 Cb 0.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1jkw h ASP 250 CO 0.00 1.26 0.18 0.40 -1.72 0.00 0.00 179.24 179.36 1jkw h ILE 251 N 0.33 1.23 -0.61 0.35 2.04 0.77 0.20 117.51 121.80 1jkw h ILE 251 Ca -0.07 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 1jkw h ILE 251 Cb 1.49 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1jkw h ILE 251 CO 0.16 0.28 0.21 0.24 0.00 0.00 0.00 178.15 179.03 1jkw h MET 252 N 0.71 0.92 -0.52 2.37 2.86 -0.97 0.13 114.93 120.44 1jkw h MET 252 Ca 0.17 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1jkw h MET 252 Cb 0.25 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1jkw h MET 252 CO -0.01 0.78 -0.00 -0.22 1.06 0.00 0.00 176.91 178.52 1jkw h LYS 253 N 0.90 0.87 0.36 1.72 1.63 -0.82 0.71 116.57 121.93 1jkw h LYS 253 Ca 0.20 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1jkw h LYS 253 Cb 0.23 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1jkw h LYS 253 CO -0.01 0.87 -0.17 0.77 -3.45 0.00 0.00 179.45 177.46 1jkw h SER 254 N 0.81 -0.40 -0.31 4.20 0.02 0.42 -0.59 113.55 117.69 1jkw h SER 254 Ca 0.15 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1jkw h SER 254 Cb 0.49 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1jkw h SER 254 CO 0.02 -0.05 0.17 0.24 -1.14 0.00 0.00 176.83 176.08 1jkw h MET 255 N -0.80 0.44 -0.69 3.45 2.86 -0.77 -0.24 114.93 119.17 1jkw h MET 255 Ca -0.05 -0.05 0.18 0.00 -2.06 0.00 0.00 59.70 57.72 1jkw h MET 255 Cb 0.52 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.06 1jkw h MET 255 CO 0.08 0.37 0.48 -0.09 1.06 0.00 0.00 176.91 178.82 1jkw h ARG 256 N 0.39 0.11 0.00 1.72 2.43 -0.81 0.21 114.38 118.43 1jkw h ARG 256 Ca 0.11 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1jkw h ARG 256 Cb 0.06 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1jkw h ARG 256 CO -0.02 0.08 -0.00 -0.97 -1.51 0.00 0.00 179.97 177.55 1jkw h ASN 257 N 0.12 -0.00 -0.75 -3.80 -0.73 -0.15 -2.93 115.58 107.34 1jkw h ASN 257 Ca 0.33 -0.69 0.16 0.00 1.87 0.00 0.00 56.30 57.97 1jkw h ASN 257 Cb 1.15 0.00 -0.11 0.00 0.27 0.00 0.00 38.32 39.63 1jkw h ASN 257 CO -0.04 0.69 0.20 -0.07 -0.37 0.00 0.00 177.43 177.85 1jkw h LEU 258 N -0.69 0.06 -0.65 0.34 3.38 0.75 0.30 115.31 118.80 1jkw h LEU 258 Ca -0.00 0.14 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1jkw h LEU 258 Cb 0.69 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1jkw h LEU 258 CO 0.00 -0.02 -0.56 1.62 0.09 0.00 0.00 178.44 179.57 1jkw h VAL 259 N 0.30 1.19 -0.43 1.22 3.04 -1.45 -3.05 116.25 117.07 1jkw h VAL 259 Ca 0.42 -2.05 -0.06 0.00 -1.01 0.00 0.00 66.70 64.00 1jkw h VAL 259 Cb 0.72 2.18 -0.02 0.00 -2.01 0.00 0.00 31.29 32.16 1jkw h VAL 259 CO -0.50 0.54 0.05 0.11 -1.01 0.00 0.00 177.57 176.77 1jkw h LYS 260 N 0.00 0.73 -1.14 4.17 6.56 -0.33 -2.95 116.57 123.61 1jkw h LYS 260 Ca -0.01 -0.21 -0.51 0.00 -1.06 0.00 0.00 60.65 58.87 1jkw h LYS 260 Cb 1.13 -0.08 -0.24 0.00 -0.57 0.00 0.00 32.23 32.48 1jkw h LYS 260 CO 0.07 0.77 0.65 0.36 -2.06 0.00 0.00 179.45 179.25 1jkw n LYS 261 N -4.46 2.25 -3.46 3.15 2.85 0.25 -4.91 118.16 113.82 1jkw n LYS 261 Ca -0.00 -2.57 -0.40 0.00 -1.05 0.00 0.00 58.31 54.30 1jkw n LYS 261 Cb 0.26 -2.01 -0.10 0.00 -0.65 0.00 0.00 35.03 32.53 1jkw n LYS 261 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1jkw s TYR 262 N -2.94 3.22 -0.38 5.58 5.04 -1.12 -5.00 117.35 121.75 1jkw s TYR 262 Ca 0.50 0.12 -0.17 0.00 -2.44 0.00 0.00 57.07 55.08 1jkw s TYR 262 Cb 0.40 -2.55 0.01 0.00 0.35 0.00 0.00 41.96 40.17 1jkw s TYR 262 CO 0.02 -0.30 0.43 -1.21 -1.34 0.00 0.00 175.55 173.15 1jkw s GLU 263 N 1.94 3.35 0.55 4.97 2.02 -1.26 -5.05 118.70 125.22 1jkw s GLU 263 Ca 0.11 -0.53 -0.20 0.00 0.02 0.00 0.00 54.97 54.38 1jkw s GLU 263 Cb -0.16 -3.88 -0.05 0.00 0.10 0.00 0.00 34.13 30.13 1jkw s GLU 263 CO 0.11 -0.71 1.17 -2.14 0.02 0.00 0.00 175.26 173.71 1jkw s PRO 264 N 2.16 3.24 0.35 0.39 0.02 -1.26 -4.95 135.00 134.95 1jkw s PRO 264 Ca 0.13 1.72 -0.29 0.00 0.02 0.00 0.00 61.00 62.59 1jkw s PRO 264 Cb -0.16 -2.02 -0.11 0.00 0.02 0.00 0.00 34.50 32.23 1jkw s PRO 264 CO 0.13 -0.96 1.50 -1.25 -0.33 0.00 0.00 177.00 176.09 1jkw s PRO 265 N -3.24 4.13 -0.08 5.54 0.04 -1.26 -4.96 135.00 135.16 1jkw s PRO 265 Ca 0.74 2.55 -0.11 0.00 0.04 0.00 0.00 61.00 64.22 1jkw s PRO 265 Cb -0.27 -2.99 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1jkw s PRO 265 CO 0.30 -0.54 0.27 1.03 0.04 0.00 0.00 177.00 178.10 1jkw s ARG 266 N -1.64 3.75 0.11 4.56 1.81 -1.26 -5.01 118.95 121.27 1jkw s ARG 266 Ca 0.55 0.12 -0.17 0.00 -1.72 0.00 0.00 55.73 54.51 1jkw s ARG 266 Cb -0.46 -3.24 0.01 0.00 -0.45 0.00 0.00 34.95 30.81 1jkw s ARG 266 CO 0.58 0.66 0.95 0.43 -0.68 0.00 0.00 175.30 177.25 1jkw n SER 267 N 2.16 -0.58 0.10 0.23 7.64 -1.26 -1.76 113.62 120.15 1jkw n SER 267 Ca -0.16 1.09 -0.22 0.00 1.01 0.00 0.00 58.87 60.59 1jkw n SER 267 Cb 0.53 -0.17 -0.13 0.00 -1.01 0.00 0.00 64.21 63.43 1jkw n SER 267 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1jkw h GLU 268 N 0.00 0.56 -0.92 1.43 4.11 -1.99 -2.84 114.58 114.93 1jkw h GLU 268 Ca 0.13 -0.80 0.04 0.00 0.07 0.00 0.00 59.36 58.80 1jkw h GLU 268 Cb 0.28 0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.75 1jkw h GLU 268 CO -0.59 1.36 0.59 1.49 0.07 0.00 0.00 179.01 181.94 1jkw h GLU 269 N 0.23 1.10 0.01 1.06 4.81 -1.83 -0.68 114.58 119.28 1jkw h GLU 269 Ca -0.19 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1jkw h GLU 269 Cb 1.96 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 31.08 1jkw h GLU 269 CO 0.24 0.73 -0.07 0.28 -0.73 0.00 0.00 179.01 179.46 1jkw h VAL 270 N 1.13 0.82 -1.04 0.32 2.07 -1.41 0.29 116.25 118.43 1jkw h VAL 270 Ca 0.37 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.16 1jkw h VAL 270 Cb 0.04 0.82 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1jkw h VAL 270 CO -0.13 0.00 0.67 0.00 0.02 0.00 0.00 177.57 178.13 1jkw h ALA 271 N 0.84 2.27 0.04 1.67 0.00 -0.91 0.72 119.26 123.89 1jkw h ALA 271 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jkw h ALA 271 Cb 0.16 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jkw h ALA 271 CO -0.06 -0.67 -0.02 0.28 0.00 0.00 0.00 179.25 178.78 1jkw h VAL 272 N 0.37 0.95 -0.25 0.00 2.07 -0.10 -3.11 116.25 116.19 1jkw h VAL 272 Ca 0.59 -1.60 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1jkw h VAL 272 Cb 1.53 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1jkw h VAL 272 CO -0.28 0.31 0.17 -0.07 0.02 0.00 0.00 177.57 177.72 1jkw h LEU 273 N -0.97 0.25 -0.01 2.57 3.38 0.69 0.31 115.31 121.53 1jkw h LEU 273 Ca -0.01 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jkw h LEU 273 Cb 0.54 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1jkw h LEU 273 CO 0.01 0.18 0.00 0.11 0.09 0.00 0.00 178.44 178.83 1jkw h LYS 274 N 0.29 0.01 -0.93 1.13 1.57 0.29 0.96 116.57 119.89 1jkw h LYS 274 Ca 0.10 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1jkw h LYS 274 Cb 0.04 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1jkw h LYS 274 CO -0.02 0.19 0.60 0.37 -0.57 0.00 0.00 179.45 180.01 1jkw h GLN 275 N -0.16 1.08 -0.06 3.15 4.15 -1.18 0.47 115.11 122.55 1jkw h GLN 275 Ca 0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1jkw h GLN 275 Cb 0.18 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.62 1jkw h GLN 275 CO -0.00 0.71 0.02 -0.22 -1.93 0.00 0.00 178.83 177.41 1jkw h LYS 276 N 1.11 0.10 -1.00 1.69 3.64 -0.73 0.32 116.57 121.70 1jkw h LYS 276 Ca 0.39 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.82 1jkw h LYS 276 Cb 0.11 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.85 1jkw h LYS 276 CO -0.16 0.26 0.65 1.25 -2.27 0.00 0.00 179.45 179.18 1jkw h LEU 277 N -0.08 1.04 -0.11 5.20 5.85 0.29 0.26 115.31 127.75 1jkw h LEU 277 Ca 0.02 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jkw h LEU 277 Cb 0.20 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1jkw h LEU 277 CO -0.00 0.67 -0.18 0.44 -0.34 0.00 0.00 178.44 179.03 1jkw h ASP 278 N 1.18 0.36 -0.05 1.25 3.32 0.16 -1.41 116.42 121.22 1jkw h ASP 278 Ca 0.43 -0.53 0.01 0.00 0.02 0.00 0.00 57.03 56.96 1jkw h ASP 278 Cb 0.15 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 1jkw h ASP 278 CO -0.16 0.82 0.04 -0.09 -1.72 0.00 0.00 179.24 178.12 1jkw h ARG 279 N -0.10 0.00 -0.01 3.56 2.43 0.42 0.14 114.38 120.83 1jkw h ARG 279 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1jkw h ARG 279 Cb 0.74 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1jkw h ARG 279 CO 0.04 0.00 -0.02 0.00 -1.51 0.00 0.00 179.97 178.48 1jkw h HIS 281 N -0.52 0.00 0.03 0.00 3.86 -0.75 -3.27 115.15 114.49 1jkw h HIS 281 Ca 0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jkw h HIS 281 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 1jkw h HIS 281 CO 0.12 0.00 -0.02 0.77 0.86 0.00 0.00 177.93 179.67 1jkw h SER 282 N 0.00 -0.04 -3.58 2.45 0.02 -0.60 -3.44 113.55 108.37 1jkw h SER 282 Ca 0.00 -0.48 -0.52 0.00 -0.84 0.00 0.00 61.79 59.96 1jkw h SER 282 Cb 0.50 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.02 1jkw h SER 282 CO 0.00 0.47 0.10 0.00 -1.14 0.00 0.00 176.83 176.26 1jkw s ALA 283 N -4.17 3.41 -0.65 3.77 0.00 -1.09 -4.97 121.76 118.06 1jkw s ALA 283 Ca -0.16 0.13 -0.27 0.00 0.00 0.00 0.00 51.96 51.67 1jkw s ALA 283 Cb 0.01 -2.80 -0.00 0.00 0.00 0.00 0.00 23.12 20.33 1jkw s ALA 283 CO 0.65 0.34 1.67 -1.21 0.00 0.00 0.00 175.76 177.20 1jkw s GLU 284 N -2.10 2.83 -0.13 0.00 2.02 -1.26 -4.61 118.70 115.44 1jkw s GLU 284 Ca 0.44 0.34 0.19 0.00 0.02 0.00 0.00 54.97 55.97 1jkw s GLU 284 Cb -0.16 -4.31 -0.28 0.00 0.10 0.00 0.00 34.13 29.48 1jkw s GLU 284 CO 0.20 -2.52 0.23 1.28 0.02 0.00 0.00 175.26 174.47 1jkw n LEU 285 N 11.59 0.00 -2.49 1.80 4.77 -1.26 -4.53 117.00 126.88 1jkw n LEU 285 Ca 0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.81 1jkw n LEU 285 Cb 0.51 0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.93 1jkw n LEU 285 CO 0.71 0.30 0.85 0.00 -1.33 0.00 0.00 177.39 177.92 1jkw n ALA 286 N -2.55 5.76 1.77 -1.18 0.00 -1.26 -4.41 120.51 118.64 1jkw n ALA 286 Ca -0.22 -3.99 0.14 0.00 0.00 0.00 0.00 53.44 49.37 1jkw n ALA 286 Cb 0.92 -1.18 0.84 0.00 0.00 0.00 0.00 19.45 20.03 1jkw n ALA 286 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39