#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xkj s LYS 2 N 0.00 2.03 0.17 2.12 -0.14 -1.20 -5.03 119.74 117.68 1xkj s LYS 2 Ca 0.00 -1.15 0.10 0.00 -1.36 0.00 0.00 55.97 53.56 1xkj s LYS 2 Cb 0.00 -2.21 -0.04 0.00 -1.68 0.00 0.00 37.83 33.90 1xkj s LYS 2 CO 0.00 0.47 -0.21 -0.06 -0.76 0.00 0.00 175.35 174.79 1xkj s PHE 3 N -1.38 2.02 0.32 3.18 0.40 -1.26 -0.77 117.98 120.49 1xkj s PHE 3 Ca 0.22 -0.42 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 1xkj s PHE 3 Cb -0.10 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.43 1xkj s PHE 3 CO 0.14 0.38 0.64 0.20 0.70 0.00 0.00 175.22 177.27 1xkj s GLY 4 N -2.53 0.53 0.10 4.36 0.00 0.32 -0.06 107.32 110.03 1xkj s GLY 4 Ca 0.16 -0.83 0.10 0.00 0.00 0.00 0.00 44.72 44.15 1xkj s GLY 4 CO 0.07 -0.47 -0.27 1.08 0.00 0.00 0.00 173.10 173.51 1xkj s LEU 5 N -3.06 2.26 0.05 0.66 1.02 0.93 -1.10 118.68 119.45 1xkj s LEU 5 Ca 0.19 -0.69 0.04 0.00 0.02 0.00 0.00 54.13 53.69 1xkj s LEU 5 Cb -0.03 -1.24 -0.03 0.00 0.02 0.00 0.00 46.19 44.91 1xkj s LEU 5 CO 0.12 0.21 -0.12 0.72 0.02 0.00 0.00 176.35 177.30 1xkj s PHE 6 N -0.97 1.00 -0.20 0.29 -0.71 -0.53 -0.47 117.98 116.40 1xkj s PHE 6 Ca 0.13 -0.45 -0.03 0.00 -1.04 0.00 0.00 56.93 55.55 1xkj s PHE 6 Cb -0.10 -0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 41.12 1xkj s PHE 6 CO 0.05 0.00 -0.07 -0.06 -1.34 0.00 0.00 175.22 173.80 1xkj s PHE 7 N -1.21 2.92 -0.05 3.49 0.08 0.12 -4.42 117.98 118.92 1xkj s PHE 7 Ca -0.04 -0.89 0.08 0.00 0.12 0.00 0.00 56.93 56.20 1xkj s PHE 7 Cb -0.09 -2.04 -0.24 0.00 -0.57 0.00 0.00 43.02 40.08 1xkj s PHE 7 CO 0.01 -0.47 0.65 -0.07 -0.10 0.00 0.00 175.22 175.24 1xkj h LEU 8 N 7.76 0.09 -2.81 -0.37 3.38 -1.91 -1.40 115.31 120.04 1xkj h LEU 8 Ca -0.38 -0.18 -0.41 0.00 0.09 0.00 0.00 57.88 56.99 1xkj h LEU 8 Cb 1.17 -0.03 0.09 0.00 0.09 0.00 0.00 40.66 41.98 1xkj h LEU 8 CO 0.60 1.16 -0.91 0.59 0.09 0.00 0.00 178.44 179.97 1xkj n ASN 9 N -3.15 -4.51 -4.83 -0.43 5.03 -1.26 -4.20 115.26 101.91 1xkj n ASN 9 Ca -0.18 -0.95 -0.35 0.00 0.87 0.00 0.00 54.58 53.97 1xkj n ASN 9 Cb 1.05 -3.68 -0.06 0.00 -1.02 0.00 0.00 39.78 36.06 1xkj n ASN 9 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1xkj s PHE 10 N -3.53 3.54 0.07 3.10 0.40 -1.26 -0.81 117.98 119.49 1xkj s PHE 10 Ca 0.37 1.35 0.07 0.00 -0.60 0.00 0.00 56.93 58.13 1xkj s PHE 10 Cb -0.12 -2.61 -0.03 0.00 0.51 0.00 0.00 43.02 40.77 1xkj s PHE 10 CO 0.84 0.23 -0.20 0.00 0.70 0.00 0.00 175.22 176.79 1xkj s MET 11 N -2.38 1.22 0.08 0.44 0.23 -0.38 -4.90 119.30 113.60 1xkj s MET 11 Ca 0.48 -1.02 -0.00 0.00 -1.03 0.00 0.00 55.69 54.12 1xkj s MET 11 Cb -0.14 -1.38 0.00 0.00 -1.53 0.00 0.00 34.83 31.78 1xkj s MET 11 CO 0.20 0.34 0.11 0.27 -2.03 0.00 0.00 175.02 173.90 1xkj n ASN 12 N 1.52 -0.30 0.06 -1.18 0.23 -0.94 -4.61 115.26 110.04 1xkj n ASN 12 Ca -0.18 -1.43 0.21 0.00 -0.53 0.00 0.00 54.58 52.65 1xkj n ASN 12 Cb 0.54 0.56 0.74 0.00 -2.08 0.00 0.00 39.78 39.54 1xkj n ASN 12 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 1xkj h SER 13 N 0.44 0.00 0.26 0.53 4.64 -2.01 -2.21 113.55 115.21 1xkj h SER 13 Ca -0.06 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 1xkj h SER 13 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1xkj h SER 13 CO 0.08 0.00 -1.85 0.29 -0.87 0.00 0.00 176.83 174.49 1xkj n LYS 14 N -3.92 0.65 -3.91 4.77 5.02 -1.26 -4.87 118.16 114.63 1xkj n LYS 14 Ca 0.08 -0.03 -0.30 0.00 -2.02 0.00 0.00 58.31 56.04 1xkj n LYS 14 Cb 0.60 -1.62 -0.16 0.00 -0.02 0.00 0.00 35.03 33.84 1xkj n LYS 14 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1xkj s ARG 15 N -3.15 1.54 0.71 1.97 0.52 -0.83 -5.14 118.95 114.57 1xkj s ARG 15 Ca -0.07 -0.79 -0.09 0.00 -0.52 0.00 0.00 55.73 54.27 1xkj s ARG 15 Cb 0.11 -2.37 0.05 0.00 0.52 0.00 0.00 34.95 33.26 1xkj s ARG 15 CO 0.86 -0.53 1.05 -1.54 0.02 0.00 0.00 175.30 175.15 1xkj s SER 16 N 1.50 4.98 0.27 0.23 1.04 -1.26 -2.22 113.70 118.24 1xkj s SER 16 Ca -0.03 0.69 -0.01 0.00 0.48 0.00 0.00 55.95 57.08 1xkj s SER 16 Cb -0.17 -1.39 0.45 0.00 0.10 0.00 0.00 66.02 65.01 1xkj s SER 16 CO -0.07 -1.54 1.87 0.77 0.98 0.00 0.00 173.24 175.26 1xkj h SER 17 N -0.64 1.01 -0.30 7.02 4.64 -1.95 -0.60 113.55 122.73 1xkj h SER 17 Ca -0.45 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 1xkj h SER 17 Cb 1.30 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 1xkj h SER 17 CO 0.62 0.62 -0.01 -2.24 -0.87 0.00 0.00 176.83 174.96 1xkj h ASP 18 N 1.13 0.61 0.11 4.97 2.03 -1.99 -2.61 116.42 120.67 1xkj h ASP 18 Ca 0.45 -0.13 -0.01 0.00 -0.73 0.00 0.00 57.03 56.61 1xkj h ASP 18 Cb 0.25 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1xkj h ASP 18 CO -0.20 0.69 -0.05 1.56 -1.03 0.00 0.00 179.24 180.21 1xkj h GLN 19 N 0.61 -0.14 -0.29 4.15 4.20 -1.59 -2.29 115.11 119.75 1xkj h GLN 19 Ca 0.12 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1xkj h GLN 19 Cb 0.39 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1xkj h GLN 19 CO 0.02 0.30 0.15 -0.39 -0.67 0.00 0.00 178.83 178.23 1xkj h VAL 20 N -0.66 1.10 -0.05 -0.54 -1.51 -1.16 0.12 116.25 113.55 1xkj h VAL 20 Ca -0.02 -0.27 -0.22 0.00 -1.23 0.00 0.00 66.70 64.97 1xkj h VAL 20 Cb 0.51 0.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.40 1xkj h VAL 20 CO 0.03 0.11 -0.85 0.40 -1.23 0.00 0.00 177.57 176.02 1xkj h ILE 21 N 0.40 1.36 -0.46 7.19 2.04 -1.50 -1.64 117.51 124.89 1xkj h ILE 21 Ca 0.10 -2.24 -0.13 0.00 1.00 0.00 0.00 64.86 63.59 1xkj h ILE 21 Cb 0.03 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1xkj h ILE 21 CO -0.02 0.68 -0.22 -0.08 0.00 0.00 0.00 178.15 178.51 1xkj h GLU 22 N 0.31 0.96 -0.34 2.37 4.81 -0.80 -2.72 114.58 119.19 1xkj h GLU 22 Ca -0.06 -0.42 -0.10 0.00 -0.13 0.00 0.00 59.36 58.65 1xkj h GLU 22 Cb 1.47 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1xkj h GLU 22 CO 0.15 1.09 -0.19 0.93 -0.73 0.00 0.00 179.01 180.26 1xkj h GLU 23 N 0.81 0.63 -0.55 1.92 5.08 -0.68 -2.57 114.58 119.22 1xkj h GLU 23 Ca 0.10 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1xkj h GLU 23 Cb 0.80 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1xkj h GLU 23 CO 0.07 0.78 0.24 1.98 -1.00 0.00 0.00 179.01 181.09 1xkj h MET 24 N 0.56 0.80 -0.11 2.33 4.05 -1.23 -2.60 114.93 118.73 1xkj h MET 24 Ca 0.09 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.30 1xkj h MET 24 Cb 0.64 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 1xkj h MET 24 CO 0.05 0.68 -0.28 -0.07 0.23 0.00 0.00 176.91 177.52 1xkj h LEU 25 N 0.74 0.19 -0.26 3.39 3.38 -1.22 -1.44 115.31 120.10 1xkj h LEU 25 Ca 0.19 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.94 1xkj h LEU 25 Cb 0.15 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1xkj h LEU 25 CO -0.02 0.47 -0.47 -0.78 0.09 0.00 0.00 178.44 177.73 1xkj h ASP 26 N 0.17 0.86 -0.54 -0.43 1.82 -1.36 -2.59 116.42 114.36 1xkj h ASP 26 Ca 0.03 -0.53 -0.12 0.00 -0.39 0.00 0.00 57.03 56.01 1xkj h ASP 26 Cb 0.58 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.33 1xkj h ASP 26 CO 0.04 1.23 -0.13 0.74 -1.61 0.00 0.00 179.24 179.51 1xkj h THR 27 N 0.51 1.27 -0.78 2.25 2.02 -1.26 -1.14 112.91 115.78 1xkj h THR 27 Ca 0.01 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 65.87 1xkj h THR 27 Cb 1.07 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 68.44 1xkj h THR 27 CO 0.11 0.46 0.38 0.00 0.37 0.00 0.00 175.52 176.83 1xkj h ALA 28 N 0.92 1.01 -0.69 6.16 0.00 -1.27 0.46 119.26 125.84 1xkj h ALA 28 Ca 0.14 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xkj h ALA 28 Cb 0.70 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1xkj h ALA 28 CO 0.05 0.57 0.18 1.25 0.00 0.00 0.00 179.25 181.30 1xkj h HIS 29 N 1.10 1.14 0.17 0.00 6.17 -1.18 -1.99 115.15 120.56 1xkj h HIS 29 Ca 0.27 -0.13 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1xkj h HIS 29 Cb 0.11 -0.33 0.00 0.00 2.52 0.00 0.00 27.41 29.71 1xkj h HIS 29 CO 0.01 0.92 -0.08 -0.92 0.71 0.00 0.00 177.93 178.57 1xkj h TYR 30 N 1.04 -0.21 0.00 5.26 3.20 -0.48 -3.19 116.97 122.60 1xkj h TYR 30 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1xkj h TYR 30 Cb 0.35 0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.69 1xkj h TYR 30 CO 0.03 0.18 0.00 0.28 -1.64 0.00 0.00 178.16 177.01 1xkj h VAL 31 N -0.66 0.00 0.00 1.81 2.07 -0.94 -2.90 116.25 115.63 1xkj h VAL 31 Ca -0.02 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1xkj h VAL 31 Cb 0.48 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1xkj h VAL 31 CO 0.04 0.00 0.00 -0.78 0.02 0.00 0.00 177.57 176.85 1xkj h ASP 32 N 0.00 0.00 1.11 0.57 3.58 -1.34 -2.06 116.42 118.28 1xkj h ASP 32 Ca 0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 1xkj h ASP 32 Cb 0.25 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1xkj h ASP 32 CO 0.00 0.00 -0.89 1.56 -2.88 0.00 0.00 179.24 177.03 1xkj h GLN 33 N 0.00 0.00 0.00 0.28 1.08 -1.68 -3.42 115.11 111.37 1xkj h GLN 33 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1xkj h GLN 33 Cb 0.40 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.83 1xkj h GLN 33 CO 0.00 0.00 0.00 1.28 -0.95 0.00 0.00 178.83 179.16 1xkj n LEU 34 N -2.73 0.00 -0.17 1.46 4.77 -0.78 -5.01 117.00 114.55 1xkj n LEU 34 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 1xkj n LEU 34 Cb 0.55 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.31 1xkj n LEU 34 CO 0.39 -0.48 0.93 0.29 -1.33 0.00 0.00 177.39 177.19 1xkj n LYS 35 N -0.96 1.00 -1.94 3.23 4.76 -1.26 -4.90 118.16 118.09 1xkj n LYS 35 Ca 0.00 -0.35 -0.42 0.00 -2.87 0.00 0.00 58.31 54.67 1xkj n LYS 35 Cb 0.00 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 1xkj n LYS 35 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1xkj s PHE 36 N -2.24 3.01 -0.05 2.13 0.08 -1.26 -4.85 117.98 114.79 1xkj s PHE 36 Ca 0.36 0.79 -0.23 0.00 0.12 0.00 0.00 56.93 57.97 1xkj s PHE 36 Cb 0.21 -3.91 -0.27 0.00 -0.57 0.00 0.00 43.02 38.48 1xkj s PHE 36 CO 0.42 -3.17 0.94 0.22 -0.10 0.00 0.00 175.22 173.53 1xkj h ASP 37 N 5.91 0.35 -4.46 1.36 3.58 -0.82 -3.43 116.42 118.90 1xkj h ASP 37 Ca -0.44 -0.89 -0.32 0.00 0.42 0.00 0.00 57.03 55.79 1xkj h ASP 37 Cb 1.21 -0.11 -0.24 0.00 1.72 0.00 0.00 39.33 41.91 1xkj h ASP 37 CO 0.85 1.21 -0.75 -0.89 -2.88 0.00 0.00 179.24 176.78 1xkj s THR 38 N -2.67 0.63 -0.14 2.25 2.01 -1.20 -1.83 115.64 114.69 1xkj s THR 38 Ca -0.15 -0.86 0.02 0.00 0.31 0.00 0.00 61.69 61.01 1xkj s THR 38 Cb 0.01 -0.63 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1xkj s THR 38 CO 0.79 -0.19 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.57 1xkj s LEU 39 N -1.15 2.02 0.04 4.42 1.43 0.14 -0.05 118.68 125.54 1xkj s LEU 39 Ca -0.05 -0.57 0.07 0.00 -1.03 0.00 0.00 54.13 52.56 1xkj s LEU 39 Cb -0.08 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 1xkj s LEU 39 CO 0.00 0.06 -0.20 0.00 0.23 0.00 0.00 176.35 176.44 1xkj s ALA 40 N 0.90 1.73 -0.14 4.21 0.00 0.37 -0.59 121.76 128.24 1xkj s ALA 40 Ca -0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 1xkj s ALA 40 Cb -0.15 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1xkj s ALA 40 CO -0.03 0.39 -0.06 0.08 0.00 0.00 0.00 175.76 176.14 1xkj s VAL 41 N -0.80 3.68 0.10 0.00 1.01 -0.13 0.11 120.40 124.37 1xkj s VAL 41 Ca 0.07 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.48 1xkj s VAL 41 Cb -0.09 -2.59 -0.06 0.00 0.00 0.00 0.00 36.38 33.64 1xkj s VAL 41 CO 0.02 0.52 0.49 -0.47 0.00 0.00 0.00 175.10 175.65 1xkj s TYR 42 N 0.19 3.63 -0.17 5.22 5.04 -0.53 -1.00 117.35 129.73 1xkj s TYR 42 Ca -0.03 0.99 -0.06 0.00 -2.44 0.00 0.00 57.07 55.52 1xkj s TYR 42 Cb -0.14 -2.30 -0.04 0.00 0.35 0.00 0.00 41.96 39.83 1xkj s TYR 42 CO 0.03 0.50 0.02 -2.00 -1.34 0.00 0.00 175.55 172.76 1xkj s GLU 43 N -1.76 3.83 0.03 4.97 2.12 -1.26 -4.50 118.70 122.12 1xkj s GLU 43 Ca 0.34 -0.41 -0.16 0.00 0.36 0.00 0.00 54.97 55.09 1xkj s GLU 43 Cb -0.15 -3.08 0.03 0.00 0.26 0.00 0.00 34.13 31.18 1xkj s GLU 43 CO 0.18 0.28 0.35 1.21 -0.54 0.00 0.00 175.26 176.74 1xkj s ASN 44 N 0.31 -0.21 0.02 -1.70 2.47 -0.48 -5.01 114.94 110.35 1xkj s ASN 44 Ca 0.00 -0.03 0.03 0.00 0.42 0.00 0.00 52.86 53.29 1xkj s ASN 44 Cb -0.13 0.37 -0.02 0.00 -1.45 0.00 0.00 41.25 40.03 1xkj s ASN 44 CO 0.01 -0.59 -0.11 -1.00 -3.72 0.00 0.00 177.10 171.70 1xkj s HIS 45 N -2.19 0.93 -0.89 0.43 3.76 -1.26 -3.46 115.29 112.61 1xkj s HIS 45 Ca -0.07 -0.31 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 1xkj s HIS 45 Cb -0.02 -0.56 0.00 0.00 1.11 0.00 0.00 32.58 33.11 1xkj s HIS 45 CO -0.01 -0.01 0.00 1.19 -0.85 0.00 0.00 174.74 175.07 1xkj n PHE 46 N 2.13 -0.02 -4.17 1.40 3.72 -1.26 -4.96 117.46 114.30 1xkj n PHE 46 Ca -0.17 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.10 1xkj n PHE 46 Cb 0.56 -2.53 -0.09 0.00 -0.94 0.00 0.00 39.48 36.48 1xkj n PHE 46 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1xkj s SER 47 N -2.23 0.24 0.42 4.37 1.04 -1.26 -5.03 113.70 111.25 1xkj s SER 47 Ca 0.00 -1.34 0.29 0.00 0.48 0.00 0.00 55.95 55.38 1xkj s SER 47 Cb 0.00 0.44 1.10 0.00 0.10 0.00 0.00 66.02 67.66 1xkj s SER 47 CO 0.00 -0.92 1.84 0.78 0.98 0.00 0.00 173.24 175.92 1xkj h ASN 48 N 2.50 0.00 -0.77 7.02 2.35 -1.93 -3.37 115.58 121.38 1xkj h ASN 48 Ca -0.33 0.00 -0.73 0.00 -0.55 0.00 0.00 56.30 54.69 1xkj h ASN 48 Cb 1.25 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.53 1xkj h ASN 48 CO 0.48 0.00 2.68 0.59 -1.65 0.00 0.00 177.43 179.53 1xkj n ASN 49 N -2.74 6.01 0.00 5.81 3.02 -1.26 -1.25 115.26 124.85 1xkj n ASN 49 Ca 0.02 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.60 1xkj n ASN 49 Cb 0.31 -1.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.97 1xkj n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xkj n GLY 50 N 3.01 2.32 0.01 7.41 0.00 -1.23 -4.84 105.19 111.86 1xkj n GLY 50 Ca 0.54 -0.90 0.12 0.00 0.00 0.00 0.00 46.02 45.78 1xkj n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xkj n VAL 51 N 0.26 0.03 -3.24 1.61 0.31 0.01 -4.47 118.33 112.84 1xkj n VAL 51 Ca 0.00 -0.02 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 1xkj n VAL 51 Cb 0.00 0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.03 1xkj n VAL 51 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xkj s VAL 52 N -3.01 4.98 -0.51 2.52 1.01 -1.26 -4.91 120.40 119.21 1xkj s VAL 52 Ca 0.11 -0.39 0.23 0.00 0.00 0.00 0.00 61.98 61.92 1xkj s VAL 52 Cb 0.17 -4.17 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 1xkj s VAL 52 CO 0.69 -0.60 0.93 0.61 0.00 0.00 0.00 175.10 176.73 1xkj n GLY 53 N 5.13 -1.18 2.68 4.51 0.00 -1.22 -1.38 105.19 113.72 1xkj n GLY 53 Ca -0.07 -0.42 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 1xkj n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkj n ALA 54 N -1.90 3.30 0.01 4.61 0.00 -1.26 -4.80 120.51 120.47 1xkj n ALA 54 Ca 0.01 -4.13 0.10 0.00 0.00 0.00 0.00 53.44 49.41 1xkj n ALA 54 Cb 0.46 -0.93 0.52 0.00 0.00 0.00 0.00 19.45 19.50 1xkj n ALA 54 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1xkj h PRO 55 N 5.23 0.34 -0.29 0.00 0.13 -1.89 -2.53 132.00 132.98 1xkj h PRO 55 Ca 0.18 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.18 1xkj h PRO 55 Cb 0.79 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1xkj h PRO 55 CO 0.63 0.22 -0.27 -0.07 -0.23 0.00 0.00 178.00 178.28 1xkj h LEU 56 N 0.35 0.60 -0.57 1.56 3.38 -1.96 0.11 115.31 118.78 1xkj h LEU 56 Ca 0.19 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1xkj h LEU 56 Cb 0.31 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xkj h LEU 56 CO -0.04 0.84 -0.55 0.74 0.09 0.00 0.00 178.44 179.52 1xkj h THR 57 N 0.51 1.33 0.00 0.22 2.02 -1.90 -0.83 112.91 114.26 1xkj h THR 57 Ca 0.07 -1.81 -0.12 0.00 0.77 0.00 0.00 66.41 65.32 1xkj h THR 57 Cb 0.73 1.80 -0.02 0.00 -1.74 0.00 0.00 68.15 68.92 1xkj h THR 57 CO 0.06 0.56 -0.57 0.58 0.37 0.00 0.00 175.52 176.51 1xkj h VAL 58 N 0.38 1.28 0.00 3.16 2.07 -1.24 -2.80 116.25 119.09 1xkj h VAL 58 Ca 0.01 -2.04 -0.14 0.00 0.82 0.00 0.00 66.70 65.36 1xkj h VAL 58 Cb 1.07 2.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1xkj h VAL 58 CO 0.10 0.56 -0.64 0.00 0.02 0.00 0.00 177.57 177.60 1xkj h ALA 59 N 1.43 0.93 -0.30 1.67 0.00 -0.21 -2.41 119.26 120.37 1xkj h ALA 59 Ca -0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1xkj h ALA 59 Cb 1.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1xkj h ALA 59 CO 0.07 0.81 0.05 0.78 0.00 0.00 0.00 179.25 180.96 1xkj h GLY 60 N 1.95 0.54 0.95 0.00 0.00 -0.91 -1.15 103.07 104.45 1xkj h GLY 60 Ca -0.01 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1xkj h GLY 60 CO 0.08 0.33 -0.02 -2.75 0.00 0.00 0.00 176.54 174.19 1xkj h PHE 61 N 0.32 -0.05 -0.78 5.60 3.04 -1.41 -1.48 116.94 122.18 1xkj h PHE 61 Ca 0.09 -0.00 0.03 0.00 3.98 0.00 0.00 57.97 62.07 1xkj h PHE 61 Cb 0.35 0.02 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 1xkj h PHE 61 CO 0.02 0.01 0.51 -0.07 -2.02 0.00 0.00 178.31 176.77 1xkj h LEU 62 N -0.10 0.83 -0.24 0.59 3.38 -1.41 -1.85 115.31 116.50 1xkj h LEU 62 Ca -0.01 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1xkj h LEU 62 Cb 0.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1xkj h LEU 62 CO 0.01 0.58 0.00 -0.07 0.09 0.00 0.00 178.44 179.05 1xkj h LEU 63 N 0.97 0.41 -0.08 1.67 3.38 -0.79 -0.84 115.31 120.03 1xkj h LEU 63 Ca 0.30 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xkj h LEU 63 Cb 0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1xkj h LEU 63 CO -0.08 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1xkj n GLY 64 N -0.33 -1.12 0.05 0.83 0.00 -0.59 -2.88 105.19 101.15 1xkj n GLY 64 Ca -0.04 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.00 1xkj n GLY 64 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xkj n MET 65 N -1.60 0.66 -3.99 1.61 0.00 -0.74 -4.99 117.12 108.07 1xkj n MET 65 Ca 0.04 -0.10 -0.24 0.00 -0.00 0.00 0.00 57.70 57.41 1xkj n MET 65 Cb 0.21 -1.57 -0.06 0.00 0.00 0.00 0.00 33.22 31.79 1xkj n MET 65 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1xkj s THR 66 N -3.24 2.47 0.00 1.12 -4.23 -0.38 -4.99 115.64 106.39 1xkj s THR 66 Ca -0.07 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 58.82 1xkj s THR 66 Cb 0.11 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.96 1xkj s THR 66 CO 0.87 -0.02 0.00 0.29 -0.54 0.00 0.00 174.62 175.22 1xkj n LYS 67 N -1.30 2.72 -0.07 3.99 5.02 -1.26 -4.89 118.16 122.38 1xkj n LYS 67 Ca -0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.15 1xkj n LYS 67 Cb 0.64 -0.97 -0.05 0.00 -0.02 0.00 0.00 35.03 34.62 1xkj n LYS 67 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1xkj n ASN 68 N -1.77 1.01 -4.65 4.39 3.02 -1.26 -5.04 115.26 110.96 1xkj n ASN 68 Ca 0.00 0.17 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 1xkj n ASN 68 Cb 0.33 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 39.16 1xkj n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xkj n ALA 69 N -3.65 0.26 -2.49 5.41 0.00 -1.26 -4.99 120.51 113.79 1xkj n ALA 69 Ca -0.26 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 1xkj n ALA 69 Cb 0.67 -2.17 -0.05 0.00 0.00 0.00 0.00 19.45 17.89 1xkj n ALA 69 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xkj s LYS 70 N -3.20 3.75 -0.05 0.00 1.02 -0.76 -4.95 119.74 115.56 1xkj s LYS 70 Ca 0.77 0.18 0.05 0.00 0.02 0.00 0.00 55.97 56.99 1xkj s LYS 70 Cb -0.37 -2.73 -0.01 0.00 -0.52 0.00 0.00 37.83 34.20 1xkj s LYS 70 CO 0.46 0.37 -0.21 0.08 -0.92 0.00 0.00 175.35 175.14 1xkj s VAL 71 N -1.74 1.75 0.06 3.17 1.01 -0.08 -0.68 120.40 123.88 1xkj s VAL 71 Ca 0.45 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1xkj s VAL 71 Cb -0.12 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 1xkj s VAL 71 CO 0.22 0.49 -0.06 0.00 0.00 0.00 0.00 175.10 175.75 1xkj s ALA 72 N -0.09 0.64 0.02 5.51 0.00 0.24 -1.84 121.76 126.23 1xkj s ALA 72 Ca -0.03 -0.98 -0.20 0.00 0.00 0.00 0.00 51.96 50.75 1xkj s ALA 72 Cb -0.12 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.06 1xkj s ALA 72 CO 0.03 -0.14 0.60 -1.54 0.00 0.00 0.00 175.76 174.70 1xkj s SER 73 N -2.17 7.01 0.01 0.00 1.04 -1.12 -0.96 113.70 117.50 1xkj s SER 73 Ca -0.02 1.20 0.08 0.00 0.48 0.00 0.00 55.95 57.69 1xkj s SER 73 Cb -0.03 -2.37 -0.23 0.00 0.10 0.00 0.00 66.02 63.49 1xkj s SER 73 CO -0.03 0.15 0.85 0.25 0.98 0.00 0.00 173.24 175.44 1xkj h LEU 74 N 5.34 0.07 -5.02 2.42 5.85 -1.25 -1.83 115.31 120.90 1xkj h LEU 74 Ca -0.46 -0.11 -0.24 0.00 0.84 0.00 0.00 57.88 57.91 1xkj h LEU 74 Cb 1.20 -0.02 -0.20 0.00 0.37 0.00 0.00 40.66 42.01 1xkj h LEU 74 CO 0.68 1.10 -0.51 -0.46 -0.34 0.00 0.00 178.44 178.91 1xkj n ASN 75 N -3.20 -1.14 -4.68 1.25 6.94 -1.23 -4.36 115.26 108.83 1xkj n ASN 75 Ca -0.13 -2.44 -0.46 0.00 -0.02 0.00 0.00 54.58 51.53 1xkj n ASN 75 Cb 1.02 0.65 -0.04 0.00 -2.36 0.00 0.00 39.78 39.05 1xkj n ASN 75 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1xkj n HIS 76 N -0.67 2.37 -2.72 -2.53 -0.00 -0.87 -4.16 115.22 106.64 1xkj n HIS 76 Ca -0.03 -0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.72 1xkj n HIS 76 Cb 0.85 -2.66 -0.03 0.00 -0.12 0.00 0.00 29.99 28.02 1xkj n HIS 76 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1xkj s VAL 77 N 3.24 4.05 -0.12 3.57 1.01 -1.26 0.44 120.40 131.34 1xkj s VAL 77 Ca 0.88 -0.05 0.24 0.00 0.00 0.00 0.00 61.98 63.05 1xkj s VAL 77 Cb -0.64 -4.80 0.27 0.00 0.00 0.00 0.00 36.38 31.22 1xkj s VAL 77 CO 0.46 -1.65 1.72 0.16 0.00 0.00 0.00 175.10 175.79 1xkj h ILE 78 N 6.01 0.31 0.00 2.22 3.07 -1.86 -3.31 117.51 123.95 1xkj h ILE 78 Ca -0.27 -1.16 -0.03 0.00 1.55 0.00 0.00 64.86 64.96 1xkj h ILE 78 Cb 1.06 1.91 -0.00 0.00 -0.27 0.00 0.00 36.82 39.52 1xkj h ILE 78 CO 1.23 0.15 -0.13 0.74 -1.05 0.00 0.00 178.15 179.10 1xkj h THR 79 N 0.00 0.88 -0.55 0.16 2.02 -1.91 -2.79 112.91 110.72 1xkj h THR 79 Ca -0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 1xkj h THR 79 Cb 0.90 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1xkj h THR 79 CO 0.02 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.38 1xkj n THR 80 N -4.09 1.11 -4.31 3.16 -2.24 -1.25 -4.96 114.28 101.70 1xkj n THR 80 Ca -0.02 -0.85 -0.16 0.00 -2.27 0.00 0.00 64.05 60.74 1xkj n THR 80 Cb 0.21 0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.55 1xkj n THR 80 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xkj s HIS 81 N -1.51 1.53 -0.24 4.78 3.76 -1.05 -5.04 115.29 117.52 1xkj s HIS 81 Ca 0.40 -1.16 -0.21 0.00 -0.15 0.00 0.00 55.06 53.93 1xkj s HIS 81 Cb 0.23 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 33.01 1xkj s HIS 81 CO 0.23 -0.32 0.65 -1.58 -0.85 0.00 0.00 174.74 172.87 1xkj s HIS 82 N -3.74 3.31 0.29 1.40 5.65 -1.26 -4.95 115.29 115.99 1xkj s HIS 82 Ca 0.37 0.88 0.01 0.00 0.25 0.00 0.00 55.06 56.57 1xkj s HIS 82 Cb 0.08 -2.85 0.71 0.00 -1.18 0.00 0.00 32.58 29.34 1xkj s HIS 82 CO 0.13 -0.29 1.50 -2.30 -0.65 0.00 0.00 174.74 173.12 1xkj n PRO 83 N 5.55 -0.08 -0.05 2.88 -0.02 -1.26 -0.49 135.00 141.54 1xkj n PRO 83 Ca -0.00 1.43 -0.00 0.00 -2.02 0.00 0.00 63.50 62.91 1xkj n PRO 83 Cb 0.49 -2.27 0.28 0.00 -0.02 0.00 0.00 33.50 31.98 1xkj n PRO 83 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xkj h VAL 84 N 0.00 1.20 0.00 -1.45 2.07 -1.92 -2.26 116.25 113.89 1xkj h VAL 84 Ca 0.57 -0.71 -0.25 0.00 0.82 0.00 0.00 66.70 67.13 1xkj h VAL 84 Cb 1.16 0.77 0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1xkj h VAL 84 CO -0.90 0.26 -1.02 0.03 0.02 0.00 0.00 177.57 175.96 1xkj h ARG 85 N 0.62 0.61 -0.85 1.57 3.08 -1.19 -1.10 114.38 117.13 1xkj h ARG 85 Ca 0.14 -0.66 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 1xkj h ARG 85 Cb 0.25 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.45 1xkj h ARG 85 CO -0.00 1.26 0.51 0.28 -1.07 0.00 0.00 179.97 180.95 1xkj h VAL 86 N 0.34 1.23 -0.26 2.04 2.07 -1.37 0.79 116.25 121.10 1xkj h VAL 86 Ca -0.11 -0.50 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1xkj h VAL 86 Cb 1.66 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1xkj h VAL 86 CO 0.19 0.24 -0.41 0.00 0.02 0.00 0.00 177.57 177.62 1xkj h ALA 87 N 1.40 0.40 -0.31 1.67 0.00 -1.38 -0.90 119.26 120.14 1xkj h ALA 87 Ca 0.30 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xkj h ALA 87 Cb -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1xkj h ALA 87 CO -0.06 0.51 0.08 0.93 0.00 0.00 0.00 179.25 180.72 1xkj h GLU 88 N 0.48 0.19 -0.14 0.00 5.08 -0.35 -1.01 114.58 118.83 1xkj h GLU 88 Ca 0.02 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1xkj h GLU 88 Cb 1.01 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1xkj h GLU 88 CO 0.09 0.13 0.00 0.93 -1.00 0.00 0.00 179.01 179.17 1xkj h GLU 89 N 0.20 0.24 -0.66 2.33 5.08 -0.84 -2.46 114.58 118.47 1xkj h GLU 89 Ca 0.14 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1xkj h GLU 89 Cb 0.14 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1xkj h GLU 89 CO -0.17 0.47 0.28 0.00 -1.00 0.00 0.00 179.01 178.59 1xkj h ALA 90 N 0.77 1.26 0.00 3.43 0.00 -1.08 -1.52 119.26 122.12 1xkj h ALA 90 Ca 0.04 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1xkj h ALA 90 Cb 0.35 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1xkj h ALA 90 CO 0.01 0.55 -0.46 0.00 0.00 0.00 0.00 179.25 179.35 1xkj h LEU 92 N 0.00 0.58 -0.97 0.00 5.85 -0.89 -1.78 115.31 118.10 1xkj h LEU 92 Ca -0.00 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1xkj h LEU 92 Cb 1.03 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1xkj h LEU 92 CO 0.06 1.04 0.05 -0.07 -0.34 0.00 0.00 178.44 179.19 1xkj h LEU 93 N 0.15 0.75 -0.37 2.25 3.38 -1.27 -0.65 115.31 119.55 1xkj h LEU 93 Ca 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1xkj h LEU 93 Cb 0.96 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xkj h LEU 93 CO 0.08 0.79 0.12 -0.78 0.09 0.00 0.00 178.44 178.74 1xkj h ASP 94 N 0.76 0.53 0.46 -0.43 3.58 -1.37 -1.50 116.42 118.46 1xkj h ASP 94 Ca 0.16 -0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 1xkj h ASP 94 Cb 0.38 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1xkj h ASP 94 CO 0.01 0.59 -0.22 1.56 -2.88 0.00 0.00 179.24 178.30 1xkj h GLN 95 N 0.45 -0.60 -1.00 0.28 1.08 -1.07 -1.57 115.11 112.68 1xkj h GLN 95 Ca 0.12 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.44 1xkj h GLN 95 Cb 0.25 0.14 -0.07 0.00 -0.05 0.00 0.00 27.48 27.74 1xkj h GLN 95 CO -0.00 -0.31 0.64 0.52 -0.95 0.00 0.00 178.83 178.73 1xkj h MET 96 N -1.05 1.10 -0.00 1.46 2.86 -1.19 -1.78 114.93 116.33 1xkj h MET 96 Ca -0.06 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1xkj h MET 96 Cb 0.57 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1xkj h MET 96 CO 0.10 0.73 -0.23 -1.13 1.06 0.00 0.00 176.91 177.44 1xkj n SER 97 N -4.53 0.45 -3.31 1.22 3.41 -0.56 -4.96 113.62 105.33 1xkj n SER 97 Ca 0.16 -0.28 -0.18 0.00 -0.26 0.00 0.00 58.87 58.31 1xkj n SER 97 Cb 0.22 -0.03 0.08 0.00 -0.26 0.00 0.00 64.21 64.22 1xkj n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xkj n GLU 98 N -1.21 -6.61 -0.61 4.33 1.02 -0.64 -3.79 120.64 113.12 1xkj n GLU 98 Ca 0.10 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 58.02 1xkj n GLU 98 Cb 0.32 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.09 1xkj n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xkj n GLY 99 N -1.39 0.62 0.93 0.62 0.00 -0.89 -4.97 105.19 100.13 1xkj n GLY 99 Ca -0.18 -0.65 0.10 0.00 0.00 0.00 0.00 46.02 45.29 1xkj n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xkj n ARG 100 N -2.61 2.19 -3.89 1.61 1.74 -1.25 -4.94 116.66 109.52 1xkj n ARG 100 Ca 0.00 -2.03 -0.36 0.00 -0.77 0.00 0.00 57.85 54.70 1xkj n ARG 100 Cb 0.00 -1.42 -0.07 0.00 -1.02 0.00 0.00 32.46 29.95 1xkj n ARG 100 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1xkj s PHE 101 N -1.34 3.46 -0.08 -1.55 5.36 -1.26 -0.91 117.98 121.67 1xkj s PHE 101 Ca 0.31 0.39 0.05 0.00 -0.96 0.00 0.00 56.93 56.71 1xkj s PHE 101 Cb 0.18 -2.01 -0.01 0.00 -0.34 0.00 0.00 43.02 40.84 1xkj s PHE 101 CO 0.26 0.51 -0.23 0.00 -1.46 0.00 0.00 175.22 174.29 1xkj s ALA 102 N -0.41 2.23 -0.85 11.12 0.00 -0.77 -4.35 121.76 128.74 1xkj s ALA 102 Ca 0.11 -1.00 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1xkj s ALA 102 Cb -0.12 -0.78 0.17 0.00 0.00 0.00 0.00 23.12 22.39 1xkj s ALA 102 CO 0.01 0.37 0.91 0.12 0.00 0.00 0.00 175.76 177.17 1xkj s PHE 103 N 0.03 3.43 -0.19 0.00 5.36 -0.20 -2.80 117.98 123.61 1xkj s PHE 103 Ca -0.09 -1.66 -0.17 0.00 -0.96 0.00 0.00 56.93 54.05 1xkj s PHE 103 Cb -0.15 -4.03 -0.04 0.00 -0.34 0.00 0.00 43.02 38.47 1xkj s PHE 103 CO 0.06 -1.22 0.46 0.20 -1.46 0.00 0.00 175.22 173.26 1xkj s GLY 104 N 2.90 2.11 0.35 13.12 0.00 -0.69 -2.66 107.32 122.45 1xkj s GLY 104 Ca 0.23 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.55 1xkj s GLY 104 CO -0.08 0.94 0.09 -0.11 0.00 0.00 0.00 173.10 173.94 1xkj s PHE 105 N 1.40 1.83 0.21 1.90 -0.71 -0.74 -2.05 117.98 119.83 1xkj s PHE 105 Ca 0.22 -1.12 -0.19 0.00 -1.04 0.00 0.00 56.93 54.80 1xkj s PHE 105 Cb -0.15 -1.19 0.03 0.00 -1.21 0.00 0.00 43.02 40.50 1xkj s PHE 105 CO 0.09 -0.16 0.57 0.45 -1.34 0.00 0.00 175.22 174.83 1xkj s SER 106 N -3.52 -0.29 0.69 1.98 0.15 0.17 -2.00 113.70 110.89 1xkj s SER 106 Ca 0.31 -0.47 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 1xkj s SER 106 Cb 0.06 0.61 0.08 0.00 -1.71 0.00 0.00 66.02 65.06 1xkj s SER 106 CO 0.15 -1.11 0.98 -0.62 1.20 0.00 0.00 173.24 173.84 1xkj s ASP 107 N -2.87 4.69 -0.29 5.45 2.15 -1.26 -2.92 116.67 121.60 1xkj s ASP 107 Ca 0.09 0.18 -0.28 0.00 0.43 0.00 0.00 52.55 52.98 1xkj s ASP 107 Cb -0.02 -0.79 0.01 0.00 -0.30 0.00 0.00 42.92 41.83 1xkj s ASP 107 CO -0.01 -1.64 1.01 0.00 -0.17 0.00 0.00 175.17 174.35 1xkj h GLU 109 N 7.94 0.60 -5.44 0.00 3.07 -1.99 -3.45 114.58 115.31 1xkj h GLU 109 Ca -0.21 -0.72 -0.63 0.00 -0.50 0.00 0.00 59.36 57.30 1xkj h GLU 109 Cb 1.07 0.22 -0.13 0.00 -0.84 0.00 0.00 28.75 29.06 1xkj h GLU 109 CO 0.99 1.31 -0.54 0.15 -1.40 0.00 0.00 179.01 179.51 1xkj s LYS 110 N -3.12 3.78 0.40 2.33 1.02 -1.26 -5.01 119.74 117.88 1xkj s LYS 110 Ca -0.11 -0.29 0.21 0.00 0.02 0.00 0.00 55.97 55.81 1xkj s LYS 110 Cb 0.05 -3.19 0.42 0.00 -0.52 0.00 0.00 37.83 34.59 1xkj s LYS 110 CO 0.90 0.43 1.62 0.77 -0.92 0.00 0.00 175.35 178.15 1xkj h SER 111 N 6.16 0.00 0.60 2.83 0.02 -2.01 -3.22 113.55 117.92 1xkj h SER 111 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1xkj h SER 111 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1xkj h SER 111 CO 0.67 0.19 0.00 0.00 -1.14 0.00 0.00 176.83 176.55 1xkj h ALA 112 N 1.81 1.00 0.00 3.77 0.00 -1.97 -1.38 119.26 122.49 1xkj h ALA 112 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1xkj h ALA 112 Cb 1.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1xkj h ALA 112 CO 0.03 0.00 -1.50 -0.25 0.00 0.00 0.00 179.25 177.53 1xkj n ASP 113 N -2.32 0.82 -0.04 0.00 9.92 -1.21 -3.39 116.55 120.33 1xkj n ASP 113 Ca 0.01 0.36 -0.14 0.00 -0.53 0.00 0.00 54.79 54.50 1xkj n ASP 113 Cb 0.19 0.19 -0.11 0.00 -0.64 0.00 0.00 41.12 40.75 1xkj n ASP 113 CO 0.00 0.00 0.00 0.24 0.13 0.00 0.00 177.20 177.57 1xkj h MET 114 N 0.00 0.05 0.00 -1.24 2.86 -1.42 -1.59 114.93 113.58 1xkj h MET 114 Ca -0.19 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1xkj h MET 114 Cb 1.65 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.33 1xkj h MET 114 CO 0.05 0.80 0.00 0.54 1.06 0.00 0.00 176.91 179.36 1xkj n ARG 115 N -4.67 0.71 -0.08 1.72 3.00 -0.61 -2.49 116.66 114.24 1xkj n ARG 115 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.85 57.63 1xkj n ARG 115 Cb 0.41 -1.36 -0.04 0.00 0.00 0.00 0.00 32.46 31.47 1xkj n ARG 115 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 1xkj n PHE 116 N -0.86 0.00 1.22 -1.55 -0.00 -1.19 -4.49 117.46 110.59 1xkj n PHE 116 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1xkj n PHE 116 Cb 0.06 -0.52 0.00 0.00 -0.00 0.00 0.00 39.48 39.02 1xkj n PHE 116 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 1xkj n PHE 117 N -4.30 0.00 -4.09 -5.13 3.72 -0.61 -4.90 117.46 102.16 1xkj n PHE 117 Ca -0.19 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 56.75 1xkj n PHE 117 Cb 0.53 -0.06 0.02 0.00 -0.94 0.00 0.00 39.48 39.02 1xkj n PHE 117 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1xkj n ASN 118 N -0.13 -3.92 -4.47 4.37 0.23 -1.04 -5.01 115.26 105.29 1xkj n ASN 118 Ca 0.00 -1.27 -0.33 0.00 -0.53 0.00 0.00 54.58 52.45 1xkj n ASN 118 Cb 0.16 -1.52 -0.13 0.00 -2.08 0.00 0.00 39.78 36.20 1xkj n ASN 118 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1xkj s ARG 119 N -7.44 2.63 -0.11 -3.83 1.81 -1.06 -5.08 118.95 105.87 1xkj s ARG 119 Ca 0.48 -0.68 -0.34 0.00 -1.72 0.00 0.00 55.73 53.47 1xkj s ARG 119 Cb -0.27 -2.42 -0.11 0.00 -0.45 0.00 0.00 34.95 31.69 1xkj s ARG 119 CO 0.95 0.58 1.92 -2.30 -0.68 0.00 0.00 175.30 175.77 1xkj n PRO 120 N 2.45 2.12 0.00 3.54 -0.02 -1.26 -4.65 135.00 137.18 1xkj n PRO 120 Ca -0.17 0.76 0.15 0.00 -2.02 0.00 0.00 63.50 62.22 1xkj n PRO 120 Cb 0.52 -2.67 0.83 0.00 -0.02 0.00 0.00 33.50 32.16 1xkj n PRO 120 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xkj n THR 121 N 5.43 0.00 -0.03 3.45 5.66 -1.26 -3.51 114.28 124.02 1xkj n THR 121 Ca 0.24 -0.01 -0.11 0.00 -3.05 0.00 0.00 64.05 61.13 1xkj n THR 121 Cb 0.30 -0.46 -0.14 0.00 -1.55 0.00 0.00 70.33 68.48 1xkj n THR 121 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1xkj n ASP 122 N -1.11 0.96 -2.13 1.09 5.68 -1.26 -4.37 116.55 115.41 1xkj n ASP 122 Ca 0.19 0.33 -0.26 0.00 -0.50 0.00 0.00 54.79 54.55 1xkj n ASP 122 Cb 0.19 -0.05 0.03 0.00 -1.14 0.00 0.00 41.12 40.14 1xkj n ASP 122 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 1xkj n SER 123 N -3.07 5.29 -0.14 -1.12 3.41 -1.23 -4.82 113.62 111.93 1xkj n SER 123 Ca -0.21 -3.75 -0.09 0.00 -0.26 0.00 0.00 58.87 54.56 1xkj n SER 123 Cb 1.06 -0.44 -0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1xkj n SER 123 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1xkj h GLN 124 N 2.22 0.62 -0.26 4.33 4.15 -1.76 -1.53 115.11 122.88 1xkj h GLN 124 Ca 0.39 -0.10 -0.13 0.00 0.77 0.00 0.00 58.65 59.58 1xkj h GLN 124 Cb 1.36 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.93 1xkj h GLN 124 CO 0.88 0.55 -0.40 0.35 -1.93 0.00 0.00 178.83 178.29 1xkj h PHE 125 N 0.54 0.71 -0.32 3.99 3.57 -1.93 -0.47 116.94 123.03 1xkj h PHE 125 Ca 0.14 -0.21 -0.13 0.00 3.53 0.00 0.00 57.97 61.31 1xkj h PHE 125 Cb 0.15 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1xkj h PHE 125 CO -0.01 0.91 -0.33 1.96 -2.23 0.00 0.00 178.31 178.61 1xkj h GLN 126 N 0.50 0.71 0.23 1.11 7.50 -1.92 -2.23 115.11 121.00 1xkj h GLN 126 Ca 0.04 -0.33 -0.01 0.00 0.50 0.00 0.00 58.65 58.85 1xkj h GLN 126 Cb 0.91 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.43 1xkj h GLN 126 CO 0.08 0.94 -0.11 1.25 -1.50 0.00 0.00 178.83 179.49 1xkj h LEU 127 N 0.60 -0.26 -0.31 1.46 5.85 -1.03 -0.65 115.31 120.98 1xkj h LEU 127 Ca 0.06 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1xkj h LEU 127 Cb 0.85 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.87 1xkj h LEU 127 CO 0.07 0.01 -0.26 0.15 -0.34 0.00 0.00 178.44 178.08 1xkj h PHE 128 N -0.54 -0.69 -0.09 1.25 3.57 -1.08 0.93 116.94 120.29 1xkj h PHE 128 Ca -0.03 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 1xkj h PHE 128 Cb 0.40 0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1xkj h PHE 128 CO 0.00 -0.33 -0.21 0.66 -2.23 0.00 0.00 178.31 176.20 1xkj h SER 129 N -0.23 0.15 -0.18 0.41 4.64 -1.30 -1.39 113.55 115.64 1xkj h SER 129 Ca 0.16 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 61.27 1xkj h SER 129 Cb 0.48 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1xkj h SER 129 CO -0.44 0.38 -0.50 -0.33 -0.87 0.00 0.00 176.83 175.06 1xkj h GLU 130 N 0.14 0.76 -0.55 4.77 4.39 -0.28 -2.08 114.58 121.74 1xkj h GLU 130 Ca 0.03 -0.45 0.02 0.00 0.34 0.00 0.00 59.36 59.29 1xkj h GLU 130 Cb 0.47 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.13 1xkj h GLU 130 CO 0.03 1.08 0.34 0.00 -1.16 0.00 0.00 179.01 179.31 1xkj h HIS 132 N 0.69 1.00 -0.95 0.00 -0.00 -1.18 -1.91 115.15 112.80 1xkj h HIS 132 Ca 0.21 -0.09 0.08 0.00 -0.00 0.00 0.00 60.37 60.57 1xkj h HIS 132 Cb -0.02 -0.29 -0.07 0.00 -0.00 0.00 0.00 27.41 27.03 1xkj h HIS 132 CO -0.05 0.81 0.61 0.87 -0.00 0.00 0.00 177.93 180.17 1xkj h LYS 133 N 0.90 1.03 -0.28 5.26 1.57 -0.93 0.15 116.57 124.27 1xkj h LYS 133 Ca 0.21 -0.06 -0.18 0.00 -1.87 0.00 0.00 60.65 58.74 1xkj h LYS 133 Cb 0.26 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xkj h LYS 133 CO -0.01 0.68 -0.54 0.82 -0.57 0.00 0.00 179.45 179.83 1xkj h ILE 134 N 1.06 1.28 0.01 1.86 2.04 -1.07 -1.59 117.51 121.10 1xkj h ILE 134 Ca 0.42 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1xkj h ILE 134 Cb 0.26 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 1xkj h ILE 134 CO -0.18 0.56 -0.01 0.40 0.00 0.00 0.00 178.15 178.93 1xkj h ILE 135 N 0.65 1.19 -0.57 -0.67 2.04 -0.57 -2.78 117.51 116.81 1xkj h ILE 135 Ca 0.02 -0.62 0.04 0.00 1.00 0.00 0.00 64.86 65.30 1xkj h ILE 135 Cb 1.15 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.80 1xkj h ILE 135 CO 0.12 0.16 0.38 -1.13 0.00 0.00 0.00 178.15 177.68 1xkj h ASN 136 N -0.28 0.53 0.50 1.72 -1.24 -0.71 0.09 115.58 116.20 1xkj h ASN 136 Ca -0.00 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 1xkj h ASN 136 Cb 0.27 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1xkj h ASN 136 CO 0.00 0.36 -0.24 0.44 -1.29 0.00 0.00 177.43 176.70 1xkj h ASP 137 N 0.61 -0.57 -0.55 1.15 3.32 -1.19 -1.81 116.42 117.38 1xkj h ASP 137 Ca 0.24 -0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.37 1xkj h ASP 137 Cb 0.16 0.15 -0.09 0.00 0.22 0.00 0.00 39.33 39.77 1xkj h ASP 137 CO -0.06 -0.34 0.01 0.00 -1.72 0.00 0.00 179.24 177.13 1xkj h ALA 138 N -0.33 0.54 -0.36 3.45 0.00 -0.97 0.37 119.26 121.96 1xkj h ALA 138 Ca -0.07 0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xkj h ALA 138 Cb 0.56 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1xkj h ALA 138 CO 0.11 -0.38 0.11 0.74 0.00 0.00 0.00 179.25 179.83 1xkj h PHE 139 N 0.12 0.19 0.01 0.00 -1.00 -0.83 0.43 116.94 115.86 1xkj h PHE 139 Ca 0.28 0.02 -0.25 0.00 2.81 0.00 0.00 57.97 60.83 1xkj h PHE 139 Cb 0.44 -0.03 -0.04 0.00 3.61 0.00 0.00 35.95 39.93 1xkj h PHE 139 CO -0.33 0.06 -1.33 1.79 -1.61 0.00 0.00 178.31 176.89 1xkj h THR 140 N 0.25 1.32 0.00 -1.55 1.35 -0.43 -3.34 112.91 110.50 1xkj h THR 140 Ca 0.17 -3.09 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 1xkj h THR 140 Cb 0.17 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 69.25 1xkj h THR 140 CO -0.19 0.76 -0.99 0.35 -0.25 0.00 0.00 175.52 175.20 1xkj n THR 141 N -3.22 0.00 -0.63 6.82 -2.24 0.12 -4.87 114.28 110.26 1xkj n THR 141 Ca -0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1xkj n THR 141 Cb 0.99 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 1xkj n THR 141 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xkj n GLY 142 N 1.77 1.62 3.38 3.38 0.00 0.14 -4.96 105.19 110.53 1xkj n GLY 142 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1xkj n GLY 142 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xkj s TYR 143 N -3.59 1.75 -0.27 1.61 1.51 -1.26 -1.07 117.35 116.03 1xkj s TYR 143 Ca 0.00 -1.04 -0.23 0.00 -1.01 0.00 0.00 57.07 54.79 1xkj s TYR 143 Cb 0.00 -1.09 0.08 0.00 -0.11 0.00 0.00 41.96 40.84 1xkj s TYR 143 CO 0.00 -0.13 0.74 0.00 -1.11 0.00 0.00 175.55 175.05 1xkj s HIS 145 N 0.70 -0.38 0.21 0.00 5.04 -1.26 -3.14 115.29 116.47 1xkj s HIS 145 Ca -0.02 -0.54 -0.06 0.00 -1.54 0.00 0.00 55.06 52.90 1xkj s HIS 145 Cb -0.05 -0.43 -0.06 0.00 0.04 0.00 0.00 32.58 32.09 1xkj s HIS 145 CO -0.05 -0.95 0.48 -1.25 -2.34 0.00 0.00 174.74 170.63 1xkj s PRO 146 N 1.83 3.67 -0.42 2.88 0.04 -1.26 -5.04 135.00 136.70 1xkj s PRO 146 Ca 0.14 0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.28 1xkj s PRO 146 Cb -0.15 -2.73 0.23 0.00 0.04 0.00 0.00 34.50 31.89 1xkj s PRO 146 CO -0.16 0.35 0.55 -1.71 0.04 0.00 0.00 177.00 176.07 1xkj n ASN 147 N -0.31 -0.73 -3.38 6.66 5.15 -1.25 -3.91 115.26 117.49 1xkj n ASN 147 Ca -0.01 -2.73 -0.15 0.00 -0.60 0.00 0.00 54.58 51.08 1xkj n ASN 147 Cb 0.53 -0.06 -0.05 0.00 -0.53 0.00 0.00 39.78 39.67 1xkj n ASN 147 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xkj s ASN 148 N -0.85 0.96 0.63 1.20 2.20 -1.19 -5.05 114.94 112.83 1xkj s ASN 148 Ca 0.34 -1.50 0.33 0.00 -0.94 0.00 0.00 52.86 51.09 1xkj s ASN 148 Cb 0.14 0.62 1.88 0.00 -2.00 0.00 0.00 41.25 41.89 1xkj s ASN 148 CO -0.15 -1.21 2.16 -2.24 -2.94 0.00 0.00 177.10 172.72 1xkj h ASP 149 N 2.16 0.00 0.02 3.54 -0.00 -2.03 -3.19 116.42 116.91 1xkj h ASP 149 Ca -0.28 0.00 -0.40 0.00 -0.00 0.00 0.00 57.03 56.35 1xkj h ASP 149 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 39.33 40.51 1xkj h ASP 149 CO 0.39 0.00 -2.29 0.49 -0.00 0.00 0.00 179.24 177.83 1xkj n PHE 150 N -3.44 0.30 -3.80 4.15 3.72 -1.26 -4.93 117.46 112.20 1xkj n PHE 150 Ca -0.01 0.09 -0.27 0.00 -0.05 0.00 0.00 57.45 57.21 1xkj n PHE 150 Cb 0.24 -1.04 -0.17 0.00 -0.94 0.00 0.00 39.48 37.58 1xkj n PHE 150 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 1xkj s TYR 151 N -2.50 1.23 -0.21 1.38 2.02 -1.21 -5.10 117.35 112.97 1xkj s TYR 151 Ca -0.34 -0.83 -0.01 0.00 -0.37 0.00 0.00 57.07 55.52 1xkj s TYR 151 Cb 0.10 -1.10 0.06 0.00 -0.40 0.00 0.00 41.96 40.63 1xkj s TYR 151 CO 0.58 -0.56 -0.00 0.45 -1.57 0.00 0.00 175.55 174.45 1xkj s SER 152 N 1.79 3.27 0.19 2.29 0.15 -1.26 -3.19 113.70 116.94 1xkj s SER 152 Ca 0.01 -0.95 -0.16 0.00 0.70 0.00 0.00 55.95 55.54 1xkj s SER 152 Cb -0.16 -0.84 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 1xkj s SER 152 CO -0.07 -0.27 0.49 0.72 1.20 0.00 0.00 173.24 175.30 1xkj s PHE 153 N 1.67 -0.04 0.90 3.44 -0.12 -1.25 -5.07 117.98 117.50 1xkj s PHE 153 Ca -0.03 -0.31 -0.15 0.00 -0.05 0.00 0.00 56.93 56.39 1xkj s PHE 153 Cb -0.18 0.32 0.22 0.00 -0.63 0.00 0.00 43.02 42.75 1xkj s PHE 153 CO -0.07 -0.89 0.92 -2.30 -0.05 0.00 0.00 175.22 172.83 1xkj n PRO 154 N -0.32 -2.12 -2.17 1.99 -0.02 -1.26 -4.40 135.00 126.70 1xkj n PRO 154 Ca -0.10 -1.45 -0.41 0.00 -2.02 0.00 0.00 63.50 59.52 1xkj n PRO 154 Cb 0.62 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.87 1xkj n PRO 154 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xkj s LYS 155 N -5.06 3.17 0.16 -0.52 2.20 -1.26 -4.73 119.74 113.69 1xkj s LYS 155 Ca 0.57 0.86 0.07 0.00 -0.36 0.00 0.00 55.97 57.11 1xkj s LYS 155 Cb -0.04 -4.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.04 1xkj s LYS 155 CO 0.42 -2.08 -0.00 0.96 -0.36 0.00 0.00 175.35 174.29 1xkj s ILE 156 N 7.04 3.75 -0.05 5.43 -4.36 -1.19 -5.02 121.20 126.81 1xkj s ILE 156 Ca 0.66 -1.35 -0.10 0.00 -0.26 0.00 0.00 60.65 59.59 1xkj s ILE 156 Cb -0.15 -2.87 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1xkj s ILE 156 CO 0.28 -0.07 0.28 -0.55 0.24 0.00 0.00 174.94 175.11 1xkj s SER 157 N -2.82 6.59 -0.45 4.36 0.15 -1.26 -2.95 113.70 117.31 1xkj s SER 157 Ca 0.27 0.70 -0.07 0.00 0.70 0.00 0.00 55.95 57.55 1xkj s SER 157 Cb -0.10 -2.15 0.12 0.00 -1.71 0.00 0.00 66.02 62.18 1xkj s SER 157 CO 0.18 0.35 0.29 -0.69 1.20 0.00 0.00 173.24 174.57 1xkj s VAL 158 N -1.10 3.83 0.14 4.45 1.01 -0.23 -5.00 120.40 123.49 1xkj s VAL 158 Ca 0.21 -1.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.15 1xkj s VAL 158 Cb -0.14 -3.56 -0.07 0.00 0.00 0.00 0.00 36.38 32.61 1xkj s VAL 158 CO 0.10 -0.74 0.51 0.20 0.00 0.00 0.00 175.10 175.16 1xkj s ASN 159 N 2.31 6.74 0.47 3.32 0.01 -1.26 -3.89 114.94 122.63 1xkj s ASN 159 Ca 0.07 0.97 -0.04 0.00 -0.71 0.00 0.00 52.86 53.15 1xkj s ASN 159 Cb -0.25 -2.25 -0.03 0.00 0.41 0.00 0.00 41.25 39.14 1xkj s ASN 159 CO -0.02 0.09 0.76 -2.16 -1.51 0.00 0.00 177.10 174.25 1xkj s PRO 160 N -2.11 3.42 0.85 -0.60 0.04 -1.26 -4.80 135.00 130.53 1xkj s PRO 160 Ca 0.38 0.04 -0.11 0.00 0.04 0.00 0.00 61.00 61.36 1xkj s PRO 160 Cb -0.14 -2.42 0.10 0.00 0.04 0.00 0.00 34.50 32.09 1xkj s PRO 160 CO 0.19 -0.22 1.11 -1.01 0.04 0.00 0.00 177.00 177.11 1xkj s HIS 161 N -2.70 2.19 0.72 0.56 3.76 -1.25 -4.78 115.29 113.79 1xkj s HIS 161 Ca 0.47 1.59 -0.14 0.00 -0.15 0.00 0.00 55.06 56.83 1xkj s HIS 161 Cb -0.10 -3.16 0.03 0.00 1.11 0.00 0.00 32.58 30.46 1xkj s HIS 161 CO 0.43 -2.27 1.15 0.00 -0.85 0.00 0.00 174.74 173.20 1xkj s ALA 162 N -2.81 2.21 -0.22 -1.40 0.00 -1.26 -4.89 121.76 113.38 1xkj s ALA 162 Ca 0.63 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 53.06 1xkj s ALA 162 Cb -0.19 -3.39 -0.18 0.00 0.00 0.00 0.00 23.12 19.36 1xkj s ALA 162 CO 0.57 -1.71 0.10 0.34 0.00 0.00 0.00 175.76 175.06 1xkj n PHE 163 N -2.81 0.82 -2.64 0.00 7.35 -1.26 -4.89 117.46 114.04 1xkj n PHE 163 Ca 0.12 0.36 -0.42 0.00 -0.76 0.00 0.00 57.45 56.74 1xkj n PHE 163 Cb 0.51 -1.08 -0.03 0.00 0.35 0.00 0.00 39.48 39.23 1xkj n PHE 163 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1xkj s THR 164 N -2.39 4.67 -0.04 -2.13 2.01 -1.26 -4.98 115.64 111.52 1xkj s THR 164 Ca -0.31 1.92 -0.30 0.00 0.31 0.00 0.00 61.69 63.31 1xkj s THR 164 Cb 0.08 -4.23 -0.05 0.00 0.01 0.00 0.00 72.50 68.30 1xkj s THR 164 CO 0.57 0.13 1.58 -1.61 -0.69 0.00 0.00 174.62 174.61 1xkj s GLU 165 N 1.13 4.20 0.00 4.92 2.02 -1.26 -0.77 118.70 128.93 1xkj s GLU 165 Ca 0.53 2.13 0.00 0.00 0.02 0.00 0.00 54.97 57.65 1xkj s GLU 165 Cb -0.23 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.14 1xkj s GLU 165 CO 0.27 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 175.18 1xkj n GLY 166 N 4.00 0.51 0.00 -1.39 0.00 -1.26 -4.95 105.19 102.09 1xkj n GLY 166 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xkj n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xkj n GLY 167 N -2.00 -0.18 3.74 -0.02 0.00 0.05 -4.44 105.19 102.33 1xkj n GLY 167 Ca 0.00 -1.75 -0.39 0.00 0.00 0.00 0.00 46.02 43.88 1xkj n GLY 167 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xkj n PRO 168 N -0.08 1.84 -1.36 1.61 -0.04 -1.26 -4.82 135.00 130.89 1xkj n PRO 168 Ca 0.00 0.67 -0.37 0.00 -0.04 0.00 0.00 63.50 63.76 1xkj n PRO 168 Cb 0.00 -2.55 0.05 0.00 -0.04 0.00 0.00 33.50 30.96 1xkj n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkj n ALA 169 N -0.73 -1.46 -2.40 0.55 0.00 -1.26 -4.60 120.51 110.61 1xkj n ALA 169 Ca 0.09 -0.13 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1xkj n ALA 169 Cb 0.43 -1.81 -0.11 0.00 0.00 0.00 0.00 19.45 17.97 1xkj n ALA 169 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xkj s GLN 170 N -2.32 1.26 -0.27 0.00 -0.21 -1.26 -1.03 119.66 115.82 1xkj s GLN 170 Ca 0.66 -1.47 -0.25 0.00 0.02 0.00 0.00 55.36 54.32 1xkj s GLN 170 Cb -0.40 -1.14 0.07 0.00 1.00 0.00 0.00 33.01 32.54 1xkj s GLN 170 CO 0.57 0.21 0.73 -0.59 -2.12 0.00 0.00 175.29 174.09 1xkj s PHE 171 N -2.55 -0.78 0.04 0.91 -0.71 -1.09 -4.41 117.98 109.40 1xkj s PHE 171 Ca 0.18 1.90 0.05 0.00 -1.04 0.00 0.00 56.93 58.03 1xkj s PHE 171 Cb -0.03 0.28 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 1xkj s PHE 171 CO 0.06 -0.38 -0.11 0.54 -1.34 0.00 0.00 175.22 174.00 1xkj s VAL 172 N 0.39 3.33 0.22 -2.49 0.11 -0.34 -1.78 120.40 119.84 1xkj s VAL 172 Ca 0.00 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 57.72 1xkj s VAL 172 Cb -0.05 -2.47 -0.08 0.00 -1.53 0.00 0.00 36.38 32.24 1xkj s VAL 172 CO 0.00 0.30 1.15 0.20 -3.33 0.00 0.00 175.10 173.42 1xkj s ASN 173 N -1.66 7.17 -1.19 3.54 0.01 -0.85 -1.41 114.94 120.55 1xkj s ASN 173 Ca 0.18 2.23 -0.18 0.00 -0.71 0.00 0.00 52.86 54.38 1xkj s ASN 173 Cb -0.11 -2.61 0.10 0.00 0.41 0.00 0.00 41.25 39.04 1xkj s ASN 173 CO 0.09 -0.27 1.55 0.00 -1.51 0.00 0.00 177.10 176.96 1xkj s ALA 174 N -0.48 3.40 -0.19 0.60 0.00 -0.98 -4.68 121.76 119.43 1xkj s ALA 174 Ca 0.49 -2.91 0.18 0.00 0.00 0.00 0.00 51.96 49.72 1xkj s ALA 174 Cb -0.32 -4.44 -0.25 0.00 0.00 0.00 0.00 23.12 18.12 1xkj s ALA 174 CO 0.38 -3.19 0.08 0.25 0.00 0.00 0.00 175.76 173.28 1xkj n THR 175 N 5.93 1.34 -3.76 0.00 -2.24 -1.26 -4.69 114.28 109.59 1xkj n THR 175 Ca 0.41 -0.84 -0.11 0.00 -2.27 0.00 0.00 64.05 61.24 1xkj n THR 175 Cb 0.46 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 68.17 1xkj n THR 175 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1xkj s SER 176 N -5.43 -0.08 0.26 3.42 1.04 -1.26 -5.03 113.70 106.62 1xkj s SER 176 Ca -0.10 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 55.97 1xkj s SER 176 Cb 0.06 0.37 0.44 0.00 0.10 0.00 0.00 66.02 67.00 1xkj s SER 176 CO 0.82 -0.68 1.82 0.11 0.98 0.00 0.00 173.24 176.29 1xkj h LYS 177 N 2.95 0.86 -0.90 4.02 1.57 -1.99 0.31 116.57 123.39 1xkj h LYS 177 Ca -0.33 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1xkj h LYS 177 Cb 1.21 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.28 1xkj h LYS 177 CO 0.49 0.57 0.59 0.93 -0.57 0.00 0.00 179.45 181.46 1xkj h GLU 178 N 0.89 1.15 -0.14 3.15 3.07 -1.99 -0.64 114.58 120.08 1xkj h GLU 178 Ca 0.43 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 59.09 1xkj h GLU 178 Cb 0.38 -0.26 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1xkj h GLU 178 CO -0.25 0.76 -0.43 0.28 -1.40 0.00 0.00 179.01 177.98 1xkj h VAL 179 N 1.19 1.36 -0.04 3.13 2.07 -1.50 -1.98 116.25 120.48 1xkj h VAL 179 Ca 0.34 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.14 1xkj h VAL 179 Cb -0.08 2.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1xkj h VAL 179 CO -0.09 0.52 0.02 0.58 0.02 0.00 0.00 177.57 178.62 1xkj h VAL 180 N 0.15 1.06 -0.36 2.57 2.07 -0.86 0.54 116.25 121.42 1xkj h VAL 180 Ca -0.02 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.40 1xkj h VAL 180 Cb 1.05 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 1xkj h VAL 180 CO 0.09 0.05 0.09 -0.08 0.02 0.00 0.00 177.57 177.74 1xkj h GLU 181 N -0.01 0.22 -0.58 1.57 4.81 -1.19 0.32 114.58 119.72 1xkj h GLU 181 Ca 0.01 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 1xkj h GLU 181 Cb 0.06 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1xkj h GLU 181 CO -0.00 0.15 0.33 2.35 -0.73 0.00 0.00 179.01 181.10 1xkj h TRP 182 N 0.23 0.60 -0.50 0.92 7.01 -0.81 -1.61 115.95 121.80 1xkj h TRP 182 Ca 0.17 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.10 1xkj h TRP 182 Cb 0.17 -0.19 -0.02 0.00 -2.10 0.00 0.00 29.16 27.02 1xkj h TRP 182 CO -0.17 0.31 -0.05 0.00 -2.79 0.00 0.00 178.44 175.75 1xkj h ALA 183 N 1.29 0.98 0.11 2.65 0.00 0.69 -3.10 119.26 121.88 1xkj h ALA 183 Ca 0.25 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xkj h ALA 183 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1xkj h ALA 183 CO -0.14 0.61 -0.16 0.00 0.00 0.00 0.00 179.25 179.56 1xkj h ALA 184 N 1.15 -0.27 -0.10 0.00 0.00 0.52 -1.45 119.26 119.10 1xkj h ALA 184 Ca 0.14 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1xkj h ALA 184 Cb 0.54 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1xkj h ALA 184 CO 0.03 -0.68 0.13 0.87 0.00 0.00 0.00 179.25 179.60 1xkj h LYS 185 N -0.32 0.00 0.00 0.00 1.57 -1.28 -2.27 116.57 114.27 1xkj h LYS 185 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1xkj h LYS 185 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xkj h LYS 185 CO -0.08 0.00 -1.57 1.28 -0.57 0.00 0.00 179.45 178.51 1xkj n LEU 186 N -3.75 0.35 0.00 2.94 4.77 -1.03 -4.99 117.00 115.30 1xkj n LEU 186 Ca -0.00 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1xkj n LEU 186 Cb 0.23 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1xkj n LEU 186 CO 0.27 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 1xkj n GLY 187 N 1.30 0.64 3.79 -0.72 0.00 -0.60 -5.05 105.19 104.56 1xkj n GLY 187 Ca -0.01 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.87 1xkj n GLY 187 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkj s LEU 188 N 0.00 4.49 0.70 0.99 1.43 -0.88 -4.99 118.68 120.41 1xkj s LEU 188 Ca 0.00 1.23 -0.13 0.00 -1.03 0.00 0.00 54.13 54.20 1xkj s LEU 188 Cb 0.00 -2.91 0.02 0.00 0.03 0.00 0.00 46.19 43.33 1xkj s LEU 188 CO 0.00 0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.72 1xkj s PRO 189 N -0.77 2.66 0.26 1.29 0.04 -1.26 -4.59 135.00 132.63 1xkj s PRO 189 Ca 0.30 1.26 0.10 0.00 0.04 0.00 0.00 61.00 62.69 1xkj s PRO 189 Cb -0.19 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1xkj s PRO 189 CO 0.18 -1.34 -0.07 -0.51 0.04 0.00 0.00 177.00 175.30 1xkj s LEU 190 N -5.27 3.00 -0.17 -3.56 1.43 -1.26 -1.20 118.68 111.65 1xkj s LEU 190 Ca 0.64 -0.74 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1xkj s LEU 190 Cb -0.18 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1xkj s LEU 190 CO 0.47 0.02 -0.20 0.54 0.23 0.00 0.00 176.35 177.42 1xkj s VAL 191 N -2.30 2.04 0.11 -1.59 0.11 -0.50 -1.32 120.40 116.95 1xkj s VAL 191 Ca 0.30 -0.93 -0.30 0.00 -2.93 0.00 0.00 61.98 58.12 1xkj s VAL 191 Cb -0.06 -1.83 -0.06 0.00 -1.53 0.00 0.00 36.38 32.90 1xkj s VAL 191 CO 0.18 0.54 0.96 -0.36 -3.33 0.00 0.00 175.10 173.08 1xkj s PHE 192 N 1.20 3.81 0.20 1.54 0.08 0.13 -2.31 117.98 122.64 1xkj s PHE 192 Ca 0.03 1.80 -0.26 0.00 0.12 0.00 0.00 56.93 58.61 1xkj s PHE 192 Cb -0.13 -3.05 -0.08 0.00 -0.57 0.00 0.00 43.02 39.18 1xkj s PHE 192 CO -0.11 0.21 0.82 1.03 -0.10 0.00 0.00 175.22 177.08 1xkj s ARG 193 N -0.03 4.61 0.39 0.44 0.52 -1.26 -2.21 118.95 121.40 1xkj s ARG 193 Ca 0.47 1.22 0.16 0.00 -0.52 0.00 0.00 55.73 57.06 1xkj s ARG 193 Cb -0.23 -3.21 0.80 0.00 0.52 0.00 0.00 34.95 32.83 1xkj s ARG 193 CO 0.30 0.53 1.82 0.11 0.02 0.00 0.00 175.30 178.08 1xkj h TRP 194 N 4.14 0.00 0.00 -0.53 5.08 -1.96 -2.86 115.95 119.82 1xkj h TRP 194 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.50 1xkj h TRP 194 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1xkj h TRP 194 CO 0.63 0.35 0.00 -0.40 -1.28 0.00 0.00 178.44 177.75 1xkj n ASP 195 N -3.86 0.00 -4.94 0.11 5.75 -1.26 -4.83 116.55 107.52 1xkj n ASP 195 Ca -0.01 -0.61 -0.24 0.00 -0.01 0.00 0.00 54.79 53.91 1xkj n ASP 195 Cb 0.42 -0.12 0.02 0.00 -1.03 0.00 0.00 41.12 40.41 1xkj n ASP 195 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1xkj s ASP 196 N -2.25 5.64 0.49 -1.12 1.01 -1.08 -5.01 116.67 114.35 1xkj s ASP 196 Ca 0.39 0.43 -0.03 0.00 0.71 0.00 0.00 52.55 54.05 1xkj s ASP 196 Cb 0.21 -1.52 -0.01 0.00 1.01 0.00 0.00 42.92 42.60 1xkj s ASP 196 CO 0.40 -0.92 0.75 -0.94 0.21 0.00 0.00 175.17 174.67 1xkj s SER 197 N -4.28 5.96 0.25 0.27 1.04 -1.26 -4.97 113.70 110.70 1xkj s SER 197 Ca 0.52 0.62 -0.02 0.00 0.48 0.00 0.00 55.95 57.55 1xkj s SER 197 Cb -0.10 -1.86 0.32 0.00 0.10 0.00 0.00 66.02 64.47 1xkj s SER 197 CO 0.41 -0.71 1.73 0.78 0.98 0.00 0.00 173.24 176.43 1xkj h ASN 198 N 0.23 0.74 -0.17 7.02 2.35 -1.97 -1.99 115.58 121.78 1xkj h ASN 198 Ca -0.47 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.08 1xkj h ASN 198 Cb 1.23 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.40 1xkj h ASN 198 CO 0.60 0.84 0.11 0.00 -1.65 0.00 0.00 177.43 177.33 1xkj h ALA 199 N 1.23 0.22 -0.58 -0.83 0.00 -1.99 -1.93 119.26 115.38 1xkj h ALA 199 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xkj h ALA 199 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1xkj h ALA 199 CO 0.03 -0.28 0.16 0.37 0.00 0.00 0.00 179.25 179.52 1xkj h GLN 200 N 0.21 0.88 -0.27 0.00 5.75 -1.89 -2.72 115.11 117.06 1xkj h GLN 200 Ca 0.06 -0.18 -0.15 0.00 -0.15 0.00 0.00 58.65 58.24 1xkj h GLN 200 Cb 0.01 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1xkj h GLN 200 CO -0.01 0.78 -0.44 0.00 -2.65 0.00 0.00 178.83 176.51 1xkj h ARG 201 N 0.85 0.69 -0.22 1.69 3.08 -1.13 -2.40 114.38 116.94 1xkj h ARG 201 Ca 0.19 -0.38 -0.06 0.00 0.07 0.00 0.00 59.98 59.80 1xkj h ARG 201 Cb 0.28 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1xkj h ARG 201 CO -0.00 0.99 -0.14 -0.22 -1.07 0.00 0.00 179.97 179.53 1xkj h LYS 202 N 0.56 0.36 -0.24 0.04 3.64 -1.20 -0.05 116.57 119.69 1xkj h LYS 202 Ca 0.04 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.25 1xkj h LYS 202 Cb 0.98 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1xkj h LYS 202 CO 0.09 0.51 -0.12 1.49 -2.27 0.00 0.00 179.45 179.15 1xkj h GLU 203 N 0.34 0.50 -0.42 1.90 4.81 -1.26 -0.88 114.58 119.57 1xkj h GLU 203 Ca 0.07 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.04 1xkj h GLU 203 Cb 0.45 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1xkj h GLU 203 CO 0.03 0.77 0.11 1.88 -0.73 0.00 0.00 179.01 181.07 1xkj h TYR 204 N 0.22 0.69 -0.58 0.92 0.05 -1.21 -1.06 116.97 115.99 1xkj h TYR 204 Ca 0.05 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.81 1xkj h TYR 204 Cb 0.62 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.12 1xkj h TYR 204 CO 0.06 0.64 0.31 0.00 -1.05 0.00 0.00 178.16 178.12 1xkj h ALA 205 N 0.97 0.76 -0.13 3.88 0.00 -0.94 -1.07 119.26 122.74 1xkj h ALA 205 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1xkj h ALA 205 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xkj h ALA 205 CO -0.00 -0.03 0.02 0.78 0.00 0.00 0.00 179.25 180.02 1xkj h GLY 206 N 0.58 0.23 1.12 0.00 0.00 -0.92 -2.99 103.07 101.08 1xkj h GLY 206 Ca 0.26 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1xkj h GLY 206 CO -0.18 0.14 0.58 -2.00 0.00 0.00 0.00 176.54 175.09 1xkj h LEU 207 N -0.02 1.00 -0.32 3.11 5.85 -0.96 -1.35 115.31 122.63 1xkj h LEU 207 Ca 0.04 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xkj h LEU 207 Cb 0.30 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1xkj h LEU 207 CO 0.00 0.72 0.21 0.22 -0.34 0.00 0.00 178.44 179.26 1xkj h TYR 208 N 1.18 0.40 -0.26 1.25 5.03 -1.15 -2.30 116.97 121.14 1xkj h TYR 208 Ca 0.33 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.61 1xkj h TYR 208 Cb -0.12 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.02 1xkj h TYR 208 CO -0.00 0.25 0.02 1.25 -1.32 0.00 0.00 178.16 178.37 1xkj h HIS 209 N 0.44 0.47 -0.61 -3.82 2.76 -1.27 0.17 115.15 113.29 1xkj h HIS 209 Ca 0.12 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.19 1xkj h HIS 209 Cb -0.05 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 28.76 1xkj h HIS 209 CO -0.05 0.57 0.27 0.93 -1.30 0.00 0.00 177.93 178.35 1xkj h GLU 210 N 0.23 0.89 -0.53 5.26 5.08 -1.20 0.61 114.58 124.93 1xkj h GLU 210 Ca 0.08 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 1xkj h GLU 210 Cb 0.37 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xkj h GLU 210 CO 0.01 0.74 -0.01 0.28 -1.00 0.00 0.00 179.01 179.02 1xkj h VAL 211 N 0.84 1.26 -0.26 3.13 2.07 -1.37 0.79 116.25 122.71 1xkj h VAL 211 Ca 0.21 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 1xkj h VAL 211 Cb 0.16 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1xkj h VAL 211 CO -0.02 0.40 0.02 0.00 0.02 0.00 0.00 177.57 177.99 1xkj h ALA 212 N 0.94 0.35 -0.75 1.67 0.00 -0.60 -1.97 119.26 118.90 1xkj h ALA 212 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xkj h ALA 212 Cb 0.55 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1xkj h ALA 212 CO 0.03 0.06 0.49 -0.56 0.00 0.00 0.00 179.25 179.27 1xkj h GLN 213 N 0.24 0.96 -0.09 0.00 3.07 0.44 -2.01 115.11 117.71 1xkj h GLN 213 Ca 0.08 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.75 1xkj h GLN 213 Cb 0.37 -0.22 -0.00 0.00 0.08 0.00 0.00 27.48 27.71 1xkj h GLN 213 CO 0.01 0.63 0.00 0.00 0.09 0.00 0.00 178.83 179.57 1xkj h ALA 214 N 1.29 0.13 0.00 0.06 0.00 -0.73 -3.09 119.26 116.92 1xkj h ALA 214 Ca 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xkj h ALA 214 Cb -0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xkj h ALA 214 CO -0.08 -0.20 0.00 0.72 0.00 0.00 0.00 179.25 179.69 1xkj n HIS 215 N -4.84 0.00 -3.10 0.00 8.25 -0.75 -4.91 115.22 109.87 1xkj n HIS 215 Ca -0.06 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.27 1xkj n HIS 215 Cb 0.19 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.37 1xkj n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xkj n GLY 216 N 0.71 -0.26 3.45 -1.41 0.00 -1.00 -5.03 105.19 101.65 1xkj n GLY 216 Ca 0.11 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1xkj n GLY 216 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xkj s VAL 217 N -3.29 3.31 -0.82 1.61 1.01 -0.79 -5.06 120.40 116.37 1xkj s VAL 217 Ca 0.05 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.18 1xkj s VAL 217 Cb -0.01 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1xkj s VAL 217 CO 0.58 0.54 1.68 -0.62 0.00 0.00 0.00 175.10 177.28 1xkj s ASP 218 N -0.06 5.69 -0.48 3.32 2.15 -1.26 -4.62 116.67 121.40 1xkj s ASP 218 Ca -0.01 -0.54 0.03 0.00 0.43 0.00 0.00 52.55 52.45 1xkj s ASP 218 Cb -0.14 -2.55 0.50 0.00 -0.30 0.00 0.00 42.92 40.43 1xkj s ASP 218 CO 0.03 -2.18 1.74 1.33 -0.17 0.00 0.00 175.17 175.92 1xkj n VAL 219 N 7.18 3.14 0.41 1.11 0.24 -1.26 -4.46 118.33 124.69 1xkj n VAL 219 Ca 0.26 -2.98 0.11 0.00 -2.04 0.00 0.00 64.34 59.68 1xkj n VAL 219 Cb 0.50 -0.88 -0.12 0.00 -1.47 0.00 0.00 33.84 31.87 1xkj n VAL 219 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xkj n SER 220 N -0.96 0.45 -0.69 -1.34 3.41 -1.26 -4.14 113.62 109.09 1xkj n SER 220 Ca 0.53 -0.35 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1xkj n SER 220 Cb 0.98 1.43 0.15 0.00 -0.26 0.00 0.00 64.21 66.51 1xkj n SER 220 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xkj n GLN 221 N -1.98 2.45 -3.12 4.33 6.02 -1.26 -4.99 117.38 118.82 1xkj n GLN 221 Ca -0.00 -1.96 -0.40 0.00 -0.01 0.00 0.00 57.00 54.63 1xkj n GLN 221 Cb 0.47 -1.30 -0.05 0.00 1.02 0.00 0.00 30.24 30.38 1xkj n GLN 221 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1xkj s VAL 222 N -1.01 5.06 -0.39 5.09 1.01 -1.26 -5.05 120.40 123.84 1xkj s VAL 222 Ca 0.24 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 1xkj s VAL 222 Cb 0.13 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1xkj s VAL 222 CO 0.18 0.20 0.20 -0.13 0.00 0.00 0.00 175.10 175.55 1xkj s ARG 223 N 1.24 2.52 0.58 2.72 0.52 -1.26 -4.98 118.95 120.29 1xkj s ARG 223 Ca 0.32 -1.43 -0.15 0.00 -0.52 0.00 0.00 55.73 53.95 1xkj s ARG 223 Cb -0.16 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1xkj s ARG 223 CO 0.13 -0.88 1.03 -1.01 0.02 0.00 0.00 175.30 174.59 1xkj s HIS 224 N 1.37 3.20 0.10 -0.53 3.76 -1.26 -4.66 115.29 117.27 1xkj s HIS 224 Ca 0.02 1.47 0.09 0.00 -0.15 0.00 0.00 55.06 56.49 1xkj s HIS 224 Cb -0.22 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.54 1xkj s HIS 224 CO 0.01 -0.85 -0.24 0.15 -0.85 0.00 0.00 174.74 172.96 1xkj s LYS 225 N -4.28 1.38 -0.03 1.40 1.02 -0.43 -0.77 119.74 118.02 1xkj s LYS 225 Ca 0.61 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1xkj s LYS 225 Cb -0.13 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 35.47 1xkj s LYS 225 CO 0.39 0.41 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.94 1xkj s LEU 226 N -1.77 1.85 -0.05 3.17 2.96 -0.76 0.22 118.68 124.29 1xkj s LEU 226 Ca 0.10 -0.24 -0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1xkj s LEU 226 Cb -0.10 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.87 1xkj s LEU 226 CO 0.04 0.10 0.07 0.42 -1.32 0.00 0.00 176.35 175.66 1xkj s THR 227 N 0.09 4.76 0.03 3.68 -4.23 -0.94 -0.99 115.64 118.05 1xkj s THR 227 Ca -0.02 -0.23 -0.15 0.00 -1.18 0.00 0.00 61.69 60.11 1xkj s THR 227 Cb -0.09 -3.10 0.02 0.00 1.34 0.00 0.00 72.50 70.67 1xkj s THR 227 CO 0.01 0.48 0.32 -0.76 -0.54 0.00 0.00 174.62 174.13 1xkj s LEU 228 N -1.33 0.81 -0.04 4.79 1.43 -0.51 -3.40 118.68 120.44 1xkj s LEU 228 Ca 0.18 -0.10 -0.15 0.00 -1.03 0.00 0.00 54.13 53.03 1xkj s LEU 228 Cb -0.12 1.38 -0.05 0.00 0.03 0.00 0.00 46.19 47.43 1xkj s LEU 228 CO 0.08 -0.58 0.40 -0.76 0.23 0.00 0.00 176.35 175.72 1xkj s LEU 229 N -1.89 4.42 -0.10 1.79 1.43 -1.26 -2.03 118.68 121.04 1xkj s LEU 229 Ca -0.07 0.88 0.03 0.00 -1.03 0.00 0.00 54.13 53.94 1xkj s LEU 229 Cb -0.02 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1xkj s LEU 229 CO -0.01 0.26 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 1xkj s VAL 230 N -0.68 1.83 -0.21 -1.59 1.01 -0.16 -1.73 120.40 118.87 1xkj s VAL 230 Ca 0.23 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 1xkj s VAL 230 Cb -0.16 -1.60 0.10 0.00 0.00 0.00 0.00 36.38 34.72 1xkj s VAL 230 CO 0.12 0.51 0.29 0.21 0.00 0.00 0.00 175.10 176.22 1xkj s ASN 231 N 0.54 0.80 -0.26 3.32 3.04 -0.65 -4.36 114.94 117.38 1xkj s ASN 231 Ca -0.15 0.08 0.01 0.00 0.04 0.00 0.00 52.86 52.84 1xkj s ASN 231 Cb -0.17 0.70 0.05 0.00 -1.54 0.00 0.00 41.25 40.29 1xkj s ASN 231 CO 0.05 -0.30 -0.09 -1.10 -3.04 0.00 0.00 177.10 172.62 1xkj s GLN 232 N 2.42 2.47 0.09 0.43 -0.21 -1.26 -1.48 119.66 122.12 1xkj s GLN 232 Ca 0.08 -1.21 0.10 0.00 0.02 0.00 0.00 55.36 54.35 1xkj s GLN 232 Cb -0.15 -2.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.90 1xkj s GLN 232 CO -0.13 -0.51 -0.24 1.21 -2.12 0.00 0.00 175.29 173.51 1xkj s ASN 233 N 1.19 3.47 0.60 5.90 3.84 -0.38 -4.98 114.94 124.57 1xkj s ASN 233 Ca -0.05 -0.62 0.31 0.00 0.21 0.00 0.00 52.86 52.71 1xkj s ASN 233 Cb -0.19 -0.36 1.82 0.00 -0.55 0.00 0.00 41.25 41.98 1xkj s ASN 233 CO -0.05 0.21 2.21 1.62 -2.79 0.00 0.00 177.10 178.30 1xkj h VAL 234 N 3.91 0.45 -3.58 -5.21 3.04 -1.98 -3.23 116.25 109.65 1xkj h VAL 234 Ca -0.49 0.00 -0.71 0.00 -1.01 0.00 0.00 66.70 64.49 1xkj h VAL 234 Cb 1.16 0.94 -0.34 0.00 -2.01 0.00 0.00 31.29 31.04 1xkj h VAL 234 CO 0.43 0.00 -0.31 -0.62 -1.01 0.00 0.00 177.57 176.06 1xkj s ASP 235 N -5.91 5.39 0.66 3.17 -1.08 -1.26 -4.88 116.67 112.76 1xkj s ASP 235 Ca -0.05 -2.88 0.20 0.00 -0.52 0.00 0.00 52.55 49.30 1xkj s ASP 235 Cb 0.15 -1.89 1.06 0.00 -1.46 0.00 0.00 42.92 40.77 1xkj s ASP 235 CO 0.53 -0.38 1.59 1.23 0.52 0.00 0.00 175.17 178.66 1xkj h GLY 236 N 7.05 0.00 1.96 2.66 0.00 -1.77 0.59 103.07 113.56 1xkj h GLY 236 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1xkj h GLY 236 CO 0.72 0.00 -1.02 -2.09 0.00 0.00 0.00 176.54 174.15 1xkj h GLU 237 N 0.00 0.03 -0.09 4.80 4.57 -1.92 -2.87 114.58 119.10 1xkj h GLU 237 Ca 0.02 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.12 1xkj h GLU 237 Cb 1.19 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1xkj h GLU 237 CO -0.00 1.01 -0.08 0.00 -1.18 0.00 0.00 179.01 178.77 1xkj h ALA 238 N 0.96 0.13 -0.47 2.92 0.00 -0.21 -2.66 119.26 119.93 1xkj h ALA 238 Ca -0.02 -0.29 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1xkj h ALA 238 Cb 1.77 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 19.45 1xkj h ALA 238 CO 0.14 -0.06 -0.08 0.00 0.00 0.00 0.00 179.25 179.25 1xkj h ALA 239 N 0.58 0.35 0.00 0.00 0.00 -1.51 0.27 119.26 118.96 1xkj h ALA 239 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1xkj h ALA 239 Cb 0.58 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1xkj h ALA 239 CO 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 179.25 178.72 1xkj h ARG 240 N 0.03 0.00 0.17 0.00 3.08 -1.52 -1.30 114.38 114.85 1xkj h ARG 240 Ca 0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 1xkj h ARG 240 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1xkj h ARG 240 CO -0.46 0.12 -0.08 0.00 -1.07 0.00 0.00 179.97 178.48 1xkj h ALA 241 N 1.88 -0.23 -0.88 0.04 0.00 -0.20 -1.54 119.26 118.33 1xkj h ALA 241 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1xkj h ALA 241 Cb 0.21 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1xkj h ALA 241 CO 0.02 -0.39 0.57 1.49 0.00 0.00 0.00 179.25 180.93 1xkj h GLU 242 N -0.71 1.08 -0.00 0.00 4.81 -0.71 -2.28 114.58 116.77 1xkj h GLU 242 Ca -0.02 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.00 1xkj h GLU 242 Cb 0.50 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1xkj h GLU 242 CO 0.04 0.72 -0.66 0.00 -0.73 0.00 0.00 179.01 178.37 1xkj h ALA 243 N 1.36 0.90 -0.21 2.92 0.00 -1.28 -2.96 119.26 119.99 1xkj h ALA 243 Ca 0.35 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xkj h ALA 243 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1xkj h ALA 243 CO -0.11 0.82 0.02 -0.09 0.00 0.00 0.00 179.25 179.89 1xkj h ARG 244 N 0.01 0.09 -0.23 0.00 2.43 -0.69 -1.64 114.38 114.35 1xkj h ARG 244 Ca -0.01 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1xkj h ARG 244 Cb 1.17 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1xkj h ARG 244 CO 0.09 0.06 -0.34 0.28 -1.51 0.00 0.00 179.97 178.55 1xkj h VAL 245 N 0.10 1.29 0.05 0.20 2.07 -1.51 0.29 116.25 118.73 1xkj h VAL 245 Ca 0.09 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1xkj h VAL 245 Cb 0.10 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1xkj h VAL 245 CO -0.14 0.45 -0.06 0.22 0.02 0.00 0.00 177.57 178.07 1xkj h TYR 246 N 0.42 -0.14 0.00 1.57 3.20 -1.29 -2.95 116.97 117.78 1xkj h TYR 246 Ca 0.05 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1xkj h TYR 246 Cb 0.80 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 1xkj h TYR 246 CO 0.03 -0.09 -0.14 -0.07 -1.64 0.00 0.00 178.16 176.25 1xkj h LEU 247 N -0.12 0.00 -0.49 2.82 -0.00 -1.21 -3.39 115.31 112.91 1xkj h LEU 247 Ca 0.01 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.93 1xkj h LEU 247 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.73 1xkj h LEU 247 CO -0.02 0.14 -0.29 1.21 -0.00 0.00 0.00 178.44 179.47 1xkj n GLU 248 N -3.19 -0.22 0.07 1.13 4.07 0.08 -1.27 120.64 121.31 1xkj n GLU 248 Ca 0.02 0.78 -0.13 0.00 -0.06 0.00 0.00 57.16 57.77 1xkj n GLU 248 Cb 0.48 -1.15 -0.04 0.00 -0.06 0.00 0.00 31.44 30.67 1xkj n GLU 248 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 1xkj h GLU 249 N 0.00 0.39 -0.70 5.31 4.81 -1.79 -3.26 114.58 119.34 1xkj h GLU 249 Ca 0.08 -0.42 0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1xkj h GLU 249 Cb 0.20 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 1xkj h GLU 249 CO -0.46 1.10 0.38 0.35 -0.73 0.00 0.00 179.01 179.65 1xkj h PHE 250 N 0.22 0.70 -0.06 0.92 3.57 -1.44 -0.48 116.94 120.38 1xkj h PHE 250 Ca -0.08 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.38 1xkj h PHE 250 Cb 1.58 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.09 1xkj h PHE 250 CO 0.06 0.32 -0.27 0.28 -2.23 0.00 0.00 178.31 176.46 1xkj h VAL 251 N 0.69 1.22 0.19 1.41 2.07 -1.41 -1.31 116.25 119.11 1xkj h VAL 251 Ca 0.32 -1.05 -0.32 0.00 0.82 0.00 0.00 66.70 66.48 1xkj h VAL 251 Cb 0.23 1.49 0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1xkj h VAL 251 CO -0.20 0.31 -1.36 0.03 0.02 0.00 0.00 177.57 176.36 1xkj h ARG 252 N 0.09 0.54 0.24 1.57 3.08 -1.46 -1.73 114.38 116.71 1xkj h ARG 252 Ca 0.01 -0.84 -0.01 0.00 0.07 0.00 0.00 59.98 59.22 1xkj h ARG 252 Cb 0.54 0.30 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1xkj h ARG 252 CO 0.04 1.39 -0.11 1.49 -1.07 0.00 0.00 179.97 181.70 1xkj h GLU 253 N 0.19 -0.31 0.03 0.04 4.81 -1.01 -3.28 114.58 115.06 1xkj h GLU 253 Ca -0.22 0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.75 1xkj h GLU 253 Cb 2.05 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 31.46 1xkj h GLU 253 CO 0.25 0.05 -1.60 0.77 -0.73 0.00 0.00 179.01 177.76 1xkj h SER 254 N -0.77 0.10 -1.98 1.04 0.02 -1.40 -3.39 113.55 107.17 1xkj h SER 254 Ca -0.03 -0.18 -0.65 0.00 -0.84 0.00 0.00 61.79 60.09 1xkj h SER 254 Cb 0.50 -0.03 -0.38 0.00 0.14 0.00 0.00 62.40 62.63 1xkj h SER 254 CO 0.05 1.16 -0.17 -1.22 -1.14 0.00 0.00 176.83 175.51 1xkj n TYR 255 N -3.20 3.49 0.24 3.45 4.01 -0.65 -4.87 117.16 119.63 1xkj n TYR 255 Ca -0.16 -3.24 0.07 0.00 -0.16 0.00 0.00 57.90 54.42 1xkj n TYR 255 Cb 1.03 -0.56 0.60 0.00 -0.31 0.00 0.00 39.34 40.10 1xkj n TYR 255 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xkj h SER 256 N 3.04 0.02 -1.78 7.72 4.64 -1.62 -3.33 113.55 122.23 1xkj h SER 256 Ca 0.31 -0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 61.11 1xkj h SER 256 Cb 0.55 -0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.22 1xkj h SER 256 CO 0.97 0.06 -0.89 -0.46 -0.87 0.00 0.00 176.83 175.64 1xkj n ASN 257 N -4.49 3.17 -0.01 4.97 0.23 -1.26 -4.75 115.26 113.13 1xkj n ASN 257 Ca -0.03 -3.37 -0.01 0.00 -0.53 0.00 0.00 54.58 50.65 1xkj n ASN 257 Cb 0.13 -0.54 -0.00 0.00 -2.08 0.00 0.00 39.78 37.28 1xkj n ASN 257 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 1xkj n THR 258 N -0.16 0.07 0.00 5.53 -1.04 -1.25 -5.10 114.28 112.33 1xkj n THR 258 Ca 0.28 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1xkj n THR 258 Cb 0.60 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1xkj n THR 258 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1xkj n ASP 259 N -2.88 0.00 -0.00 8.00 2.03 -1.26 -4.96 116.55 117.48 1xkj n ASP 259 Ca -0.02 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.16 1xkj n ASP 259 Cb 0.52 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.84 1xkj n ASP 259 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 1xkj h PHE 260 N 0.00 -1.35 -0.97 -0.67 3.57 -1.92 -2.86 116.94 112.74 1xkj h PHE 260 Ca 0.00 0.05 0.21 0.00 3.53 0.00 0.00 57.97 61.76 1xkj h PHE 260 Cb 0.00 0.60 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 1xkj h PHE 260 CO 0.00 -0.46 0.62 0.93 -2.23 0.00 0.00 178.31 177.17 1xkj h GLU 261 N -0.50 0.55 0.59 1.11 4.39 -1.99 -1.63 114.58 117.10 1xkj h GLU 261 Ca 0.02 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1xkj h GLU 261 Cb 0.57 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 29.10 1xkj h GLU 261 CO -0.36 0.36 -0.28 1.96 -1.16 0.00 0.00 179.01 179.53 1xkj h GLN 262 N 0.57 -0.76 -0.50 2.33 7.50 -1.89 -1.97 115.11 120.39 1xkj h GLN 262 Ca 0.54 0.05 0.06 0.00 0.50 0.00 0.00 58.65 59.80 1xkj h GLN 262 Cb 1.10 0.17 -0.05 0.00 0.05 0.00 0.00 27.48 28.75 1xkj h GLN 262 CO -0.28 -0.51 0.20 -0.22 -1.50 0.00 0.00 178.83 176.52 1xkj h LYS 263 N -0.95 0.38 -0.81 1.46 1.63 -1.31 -0.31 116.57 116.66 1xkj h LYS 263 Ca -0.08 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.70 1xkj h LYS 263 Cb 0.60 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 32.11 1xkj h LYS 263 CO 0.13 0.25 0.52 1.98 -3.45 0.00 0.00 179.45 178.89 1xkj h MET 264 N 0.39 1.07 -0.07 1.90 4.05 -1.39 0.63 114.93 121.51 1xkj h MET 264 Ca 0.23 -0.07 -0.08 0.00 -0.28 0.00 0.00 59.70 59.50 1xkj h MET 264 Cb 0.22 -0.24 -0.01 0.00 -0.80 0.00 0.00 31.60 30.77 1xkj h MET 264 CO -0.22 0.72 -0.31 0.78 0.23 0.00 0.00 176.91 178.11 1xkj h GLY 265 N 1.11 0.13 0.07 1.39 0.00 -0.31 -2.20 103.07 103.25 1xkj h GLY 265 Ca 0.29 -0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1xkj h GLY 265 CO -0.06 0.09 -0.27 -2.09 0.00 0.00 0.00 176.54 174.22 1xkj h GLU 266 N 0.11 0.03 -0.99 4.80 4.81 -0.34 -3.14 114.58 119.86 1xkj h GLU 266 Ca 0.01 -0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.32 1xkj h GLU 266 Cb 0.61 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1xkj h GLU 266 CO 0.04 1.02 0.61 -0.07 -0.73 0.00 0.00 179.01 179.89 1xkj h LEU 267 N -0.94 0.89 -1.11 1.64 3.38 -0.90 -1.04 115.31 117.25 1xkj h LEU 267 Ca -0.07 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1xkj h LEU 267 Cb 1.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1xkj h LEU 267 CO -0.02 0.47 -0.30 -0.07 0.09 0.00 0.00 178.44 178.62 1xkj h LEU 268 N 0.96 0.25 0.00 1.67 3.38 -1.51 -2.41 115.31 117.65 1xkj h LEU 268 Ca 0.49 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 58.25 1xkj h LEU 268 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1xkj h LEU 268 CO -0.27 0.55 -1.91 -1.54 0.09 0.00 0.00 178.44 175.36 1xkj n SER 269 N -4.12 0.24 0.12 -0.43 3.41 -0.87 -4.34 113.62 107.63 1xkj n SER 269 Ca -0.01 0.10 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1xkj n SER 269 Cb 0.40 1.24 0.07 0.00 -0.26 0.00 0.00 64.21 65.66 1xkj n SER 269 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1xkj h GLU 270 N 0.00 0.00 -6.64 4.33 5.08 -1.26 -3.47 114.58 112.62 1xkj h GLU 270 Ca -0.18 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.69 1xkj h GLU 270 Cb 1.45 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.71 1xkj h GLU 270 CO 0.02 0.00 -0.08 -0.80 -1.00 0.00 0.00 179.01 177.15 1xkj s ASN 271 N -5.32 6.35 -0.56 1.42 0.01 -0.91 -4.77 114.94 111.17 1xkj s ASN 271 Ca 0.02 0.70 -0.09 0.00 -0.71 0.00 0.00 52.86 52.78 1xkj s ASN 271 Cb 0.09 -2.14 -0.09 0.00 0.41 0.00 0.00 41.25 39.53 1xkj s ASN 271 CO 0.75 -0.35 1.73 0.00 -1.51 0.00 0.00 177.10 177.73 1xkj n ALA 272 N -1.62 3.11 -2.76 0.60 0.00 -0.70 -4.82 120.51 114.31 1xkj n ALA 272 Ca -0.02 -1.75 -0.33 0.00 0.00 0.00 0.00 53.44 51.34 1xkj n ALA 272 Cb 0.55 -3.04 -0.14 0.00 0.00 0.00 0.00 19.45 16.82 1xkj n ALA 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xkj s ILE 273 N 4.44 3.07 -1.36 0.00 -1.09 -1.26 -1.64 121.20 123.36 1xkj s ILE 273 Ca 0.35 -0.69 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 1xkj s ILE 273 Cb 0.09 -2.24 0.00 0.00 -1.58 0.00 0.00 42.46 38.72 1xkj s ILE 273 CO 0.04 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 1xkj n GLY 274 N 2.88 0.51 3.95 6.18 0.00 -0.55 -4.17 105.19 113.99 1xkj n GLY 274 Ca -0.18 -1.44 -0.26 0.00 0.00 0.00 0.00 46.02 44.14 1xkj n GLY 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xkj s THR 275 N -3.60 2.14 0.23 2.61 -4.23 -1.25 -1.26 115.64 110.29 1xkj s THR 275 Ca 0.00 -0.27 -0.07 0.00 -1.18 0.00 0.00 61.69 60.17 1xkj s THR 275 Cb 0.00 -2.87 0.18 0.00 1.34 0.00 0.00 72.50 71.15 1xkj s THR 275 CO 0.00 0.00 1.76 0.22 -0.54 0.00 0.00 174.62 176.06 1xkj h TYR 276 N -0.92 0.54 -0.23 3.99 3.20 -1.92 -0.55 116.97 121.08 1xkj h TYR 276 Ca -0.42 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.45 1xkj h TYR 276 Cb 1.28 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1xkj h TYR 276 CO -0.29 0.15 0.04 0.93 -1.64 0.00 0.00 178.16 177.35 1xkj h GLU 277 N 0.51 0.39 -0.05 1.82 3.07 -1.97 -1.48 114.58 116.87 1xkj h GLU 277 Ca 0.35 -0.10 -0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1xkj h GLU 277 Cb 0.43 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1xkj h GLU 277 CO -0.31 0.52 0.01 0.93 -1.40 0.00 0.00 179.01 178.76 1xkj h GLU 278 N 0.19 0.08 -0.61 2.33 5.08 -1.84 -0.43 114.58 119.38 1xkj h GLU 278 Ca 0.07 -0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.53 1xkj h GLU 278 Cb 0.32 -0.01 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 1xkj h GLU 278 CO 0.00 0.29 0.15 1.03 -1.00 0.00 0.00 179.01 179.48 1xkj h SER 279 N -0.14 0.04 -0.24 1.42 0.87 -1.09 -1.71 113.55 112.69 1xkj h SER 279 Ca 0.02 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1xkj h SER 279 Cb 0.24 0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xkj h SER 279 CO 0.00 0.03 -0.22 0.74 -0.53 0.00 0.00 176.83 176.85 1xkj h THR 280 N 0.28 1.31 0.15 2.23 2.02 -1.08 -2.95 112.91 114.88 1xkj h THR 280 Ca 0.32 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1xkj h THR 280 Cb 0.47 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 1xkj h THR 280 CO -0.40 0.43 -0.07 -0.61 0.37 0.00 0.00 175.52 175.24 1xkj h GLN 281 N 0.29 -0.19 -0.88 6.66 5.75 -0.80 -2.03 115.11 123.91 1xkj h GLN 281 Ca 0.04 0.01 0.20 0.00 -0.15 0.00 0.00 58.65 58.75 1xkj h GLN 281 Cb 0.76 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 29.29 1xkj h GLN 281 CO 0.05 -0.10 0.58 0.00 -2.65 0.00 0.00 178.83 176.72 1xkj h ALA 282 N 0.62 2.23 0.02 3.38 0.00 -1.31 -1.42 119.26 122.79 1xkj h ALA 282 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xkj h ALA 282 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xkj h ALA 282 CO 0.03 -0.51 -0.01 0.00 0.00 0.00 0.00 179.25 178.77 1xkj h ALA 283 N 1.61 -0.03 -0.43 0.00 0.00 -1.20 -2.09 119.26 117.13 1xkj h ALA 283 Ca 0.45 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.29 1xkj h ALA 283 Cb 1.16 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1xkj h ALA 283 CO -0.16 -0.41 0.19 0.00 0.00 0.00 0.00 179.25 178.88 1xkj h ARG 284 N -0.25 0.38 -0.32 0.00 3.08 -0.97 -1.23 114.38 115.06 1xkj h ARG 284 Ca -0.00 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.07 1xkj h ARG 284 Cb 0.24 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1xkj h ARG 284 CO 0.01 0.25 0.04 0.28 -1.07 0.00 0.00 179.97 179.48 1xkj h VAL 285 N 0.39 0.81 -0.94 2.04 2.07 -1.36 -0.73 116.25 118.53 1xkj h VAL 285 Ca 0.19 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1xkj h VAL 285 Cb 0.12 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 30.51 1xkj h VAL 285 CO -0.15 0.03 0.60 0.00 0.02 0.00 0.00 177.57 178.06 1xkj h ALA 286 N 1.25 1.28 -0.00 1.67 0.00 -0.94 -1.80 119.26 120.73 1xkj h ALA 286 Ca 0.15 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xkj h ALA 286 Cb 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xkj h ALA 286 CO -0.22 0.64 -0.64 0.82 0.00 0.00 0.00 179.25 179.85 1xkj h ILE 287 N 1.29 1.46 -0.09 0.00 2.04 -0.70 -3.16 117.51 118.35 1xkj h ILE 287 Ca 0.34 -2.19 -0.17 0.00 1.00 0.00 0.00 64.86 63.84 1xkj h ILE 287 Cb -0.11 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xkj h ILE 287 CO -0.07 0.63 -0.69 -0.33 0.00 0.00 0.00 178.15 177.68 1xkj h GLU 288 N 0.00 0.39 0.00 2.37 5.08 -0.46 -0.97 114.58 120.99 1xkj h GLU 288 Ca -0.01 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 57.98 1xkj h GLU 288 Cb 1.13 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1xkj h GLU 288 CO 0.08 0.93 -0.35 0.00 -1.00 0.00 0.00 179.01 178.68 1xkj n GLY 291 N 1.67 0.07 3.77 0.00 0.00 -0.37 -4.88 105.19 105.45 1xkj n GLY 291 Ca 0.00 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.45 1xkj n GLY 291 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkj s ALA 292 N -3.08 3.23 -0.07 4.61 0.00 -1.24 -4.62 121.76 120.58 1xkj s ALA 292 Ca 0.28 0.75 0.18 0.00 0.00 0.00 0.00 51.96 53.17 1xkj s ALA 292 Cb -0.12 -3.28 -0.27 0.00 0.00 0.00 0.00 23.12 19.45 1xkj s ALA 292 CO 0.34 -0.13 0.31 0.00 0.00 0.00 0.00 175.76 176.28 1xkj n ALA 293 N 0.56 2.36 -2.34 0.00 0.00 0.05 -4.95 120.51 116.19 1xkj n ALA 293 Ca 0.02 -0.67 -0.30 0.00 0.00 0.00 0.00 53.44 52.49 1xkj n ALA 293 Cb 0.48 -0.49 -0.15 0.00 0.00 0.00 0.00 19.45 19.29 1xkj n ALA 293 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xkj s ASP 294 N -4.48 3.16 -0.15 0.00 1.01 -1.00 -3.24 116.67 111.98 1xkj s ASP 294 Ca -0.07 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.65 1xkj s ASP 294 Cb 0.10 -0.32 0.02 0.00 1.01 0.00 0.00 42.92 43.73 1xkj s ASP 294 CO 0.77 0.28 -0.17 -0.22 0.21 0.00 0.00 175.17 176.03 1xkj s LEU 295 N -1.07 1.88 -0.22 1.23 2.96 0.05 -1.83 118.68 121.68 1xkj s LEU 295 Ca 0.11 -0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 1xkj s LEU 295 Cb -0.10 -1.30 -0.03 0.00 0.50 0.00 0.00 46.19 45.27 1xkj s LEU 295 CO 0.01 -0.01 0.02 -0.76 -1.32 0.00 0.00 176.35 174.29 1xkj s LEU 296 N 1.29 3.33 0.15 -0.68 1.43 -0.16 -0.52 118.68 123.52 1xkj s LEU 296 Ca 0.02 -0.20 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1xkj s LEU 296 Cb -0.13 -1.86 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 1xkj s LEU 296 CO -0.10 0.03 -0.15 -0.04 0.23 0.00 0.00 176.35 176.33 1xkj s MET 297 N 1.20 1.89 -0.18 1.70 -1.94 -0.26 -1.42 119.30 120.29 1xkj s MET 297 Ca 0.04 -1.24 0.01 0.00 -1.71 0.00 0.00 55.69 52.78 1xkj s MET 297 Cb -0.14 -2.12 0.02 0.00 2.01 0.00 0.00 34.83 34.60 1xkj s MET 297 CO 0.02 0.45 -0.20 0.45 -0.01 0.00 0.00 175.02 175.74 1xkj s SER 298 N -2.50 3.18 -0.02 3.03 0.15 -0.86 -1.45 113.70 115.23 1xkj s SER 298 Ca 0.21 -0.68 0.17 0.00 0.70 0.00 0.00 55.95 56.35 1xkj s SER 298 Cb -0.10 -1.48 0.51 0.00 -1.71 0.00 0.00 66.02 63.24 1xkj s SER 298 CO 0.12 -0.01 1.43 0.49 1.20 0.00 0.00 173.24 176.47 1xkj n PHE 299 N 4.61 0.82 0.30 3.44 3.72 -1.26 -0.99 117.46 128.10 1xkj n PHE 299 Ca -0.21 -0.53 0.19 0.00 -0.05 0.00 0.00 57.45 56.86 1xkj n PHE 299 Cb 0.50 -0.05 0.97 0.00 -0.94 0.00 0.00 39.48 39.95 1xkj n PHE 299 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1xkj h GLU 300 N 3.22 0.00 0.00 -1.08 5.08 -1.91 -3.07 114.58 116.82 1xkj h GLU 300 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1xkj h GLU 300 Cb 0.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1xkj h GLU 300 CO 0.03 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 176.91 1xkj n SER 301 N -2.91 0.68 -4.57 1.42 3.41 -1.26 -4.59 113.62 105.80 1xkj n SER 301 Ca -0.02 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.78 1xkj n SER 301 Cb 0.13 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.26 1xkj n SER 301 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1xkj s MET 302 N -3.19 3.60 0.15 4.33 -1.94 -1.16 -4.72 119.30 116.37 1xkj s MET 302 Ca 0.08 0.20 -0.11 0.00 -1.71 0.00 0.00 55.69 54.16 1xkj s MET 302 Cb 0.11 -3.89 -0.02 0.00 2.01 0.00 0.00 34.83 33.04 1xkj s MET 302 CO 0.49 -1.08 1.50 0.93 -0.01 0.00 0.00 175.02 176.85 1xkj h GLU 303 N 8.84 0.97 -6.24 2.03 5.08 -1.90 -3.43 114.58 119.92 1xkj h GLU 303 Ca -0.24 -0.47 -0.57 0.00 -1.00 0.00 0.00 59.36 57.08 1xkj h GLU 303 Cb 1.08 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 1xkj h GLU 303 CO 0.98 1.14 1.24 0.34 -1.00 0.00 0.00 179.01 181.71 1xkj s ASP 304 N -6.79 6.09 0.47 1.42 2.15 -1.26 -4.89 116.67 113.86 1xkj s ASP 304 Ca -0.11 1.65 0.12 0.00 0.43 0.00 0.00 52.55 54.64 1xkj s ASP 304 Cb 0.12 -2.53 1.08 0.00 -0.30 0.00 0.00 42.92 41.29 1xkj s ASP 304 CO 0.88 -1.49 2.10 0.07 -0.17 0.00 0.00 175.17 176.56 1xkj h LYS 305 N 12.04 0.23 0.08 4.34 2.10 -2.00 -0.58 116.57 132.78 1xkj h LYS 305 Ca -0.36 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1xkj h LYS 305 Cb 1.18 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1xkj h LYS 305 CO 1.00 0.17 -0.04 0.00 -2.00 0.00 0.00 179.45 178.57 1xkj h ALA 306 N 1.88 -0.11 0.25 0.07 0.00 -1.97 -2.07 119.26 117.30 1xkj h ALA 306 Ca 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xkj h ALA 306 Cb -0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xkj h ALA 306 CO -0.01 -0.43 -0.12 0.37 0.00 0.00 0.00 179.25 179.06 1xkj h GLN 307 N -0.37 -0.32 -0.64 0.00 4.15 -1.89 -1.74 115.11 114.30 1xkj h GLN 307 Ca -0.01 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1xkj h GLN 307 Cb 0.32 0.07 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 1xkj h GLN 307 CO 0.02 -0.21 0.18 0.37 -1.93 0.00 0.00 178.83 177.25 1xkj h GLN 308 N -0.34 0.30 -0.12 1.69 4.15 -1.12 0.85 115.11 120.53 1xkj h GLN 308 Ca -0.03 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.28 1xkj h GLN 308 Cb 0.26 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.87 1xkj h GLN 308 CO 0.06 0.20 -0.32 -0.09 -1.93 0.00 0.00 178.83 176.74 1xkj h ARG 309 N 0.31 0.23 0.05 1.69 2.43 -1.24 -1.64 114.38 116.21 1xkj h ARG 309 Ca 0.34 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1xkj h ARG 309 Cb 0.50 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1xkj h ARG 309 CO -0.40 0.53 -0.02 0.00 -1.51 0.00 0.00 179.97 178.57 1xkj h ALA 310 N 1.47 -0.06 -0.77 2.80 0.00 0.05 -0.89 119.26 121.86 1xkj h ALA 310 Ca 0.03 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.84 1xkj h ALA 310 Cb 0.67 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1xkj h ALA 310 CO 0.05 -0.41 0.51 0.28 0.00 0.00 0.00 179.25 179.68 1xkj h VAL 311 N -0.31 1.13 -0.35 0.00 2.07 -1.09 -1.94 116.25 115.76 1xkj h VAL 311 Ca -0.01 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1xkj h VAL 311 Cb 0.28 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1xkj h VAL 311 CO 0.01 0.18 0.05 0.40 0.02 0.00 0.00 177.57 178.22 1xkj h ILE 312 N 0.96 1.24 -0.08 4.57 2.04 -1.08 -2.50 117.51 122.67 1xkj h ILE 312 Ca 0.30 -0.86 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1xkj h ILE 312 Cb 0.03 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1xkj h ILE 312 CO -0.09 0.29 0.04 0.44 0.00 0.00 0.00 178.15 178.83 1xkj h ASP 313 N 0.41 0.09 0.02 1.72 3.32 -0.43 -1.58 116.42 119.97 1xkj h ASP 313 Ca 0.10 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xkj h ASP 313 Cb 0.37 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1xkj h ASP 313 CO 0.01 0.08 -0.01 0.58 -1.72 0.00 0.00 179.24 178.18 1xkj h VAL 314 N 0.11 1.47 -0.67 -1.35 2.07 -1.20 -1.59 116.25 115.08 1xkj h VAL 314 Ca 0.03 -1.57 0.11 0.00 0.82 0.00 0.00 66.70 66.08 1xkj h VAL 314 Cb 0.01 2.51 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 1xkj h VAL 314 CO -0.00 0.40 0.27 0.58 0.02 0.00 0.00 177.57 178.84 1xkj h VAL 315 N -0.72 0.75 -0.60 2.57 2.07 -1.23 0.54 116.25 119.63 1xkj h VAL 315 Ca -0.00 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1xkj h VAL 315 Cb 0.67 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1xkj h VAL 315 CO 0.00 0.08 0.21 -1.13 0.02 0.00 0.00 177.57 176.76 1xkj h ASN 316 N 0.46 0.82 -0.44 0.57 -1.24 -1.31 -1.59 115.58 112.85 1xkj h ASN 316 Ca 0.35 -0.12 -0.07 0.00 0.71 0.00 0.00 56.30 57.17 1xkj h ASN 316 Cb 0.45 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.27 1xkj h ASN 316 CO -0.33 0.76 0.01 0.00 -1.29 0.00 0.00 177.43 176.57 1xkj h ALA 317 N 1.36 0.59 -0.18 1.57 0.00 0.06 -2.44 119.26 120.22 1xkj h ALA 317 Ca 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1xkj h ALA 317 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xkj h ALA 317 CO -0.01 0.37 0.06 -0.91 0.00 0.00 0.00 179.25 178.76 1xkj h ASN 318 N 0.61 0.21 0.04 0.00 2.35 -0.55 -0.87 115.58 117.38 1xkj h ASN 318 Ca 0.12 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 1xkj h ASN 318 Cb 0.48 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.79 1xkj h ASN 318 CO 0.02 0.21 -0.34 0.40 -1.65 0.00 0.00 177.43 176.07 1xkj h ILE 319 N 0.24 1.29 0.00 2.81 2.04 -0.85 -1.93 117.51 121.12 1xkj h ILE 319 Ca 0.06 -1.43 -0.12 0.00 1.00 0.00 0.00 64.86 64.37 1xkj h ILE 319 Cb 0.07 1.51 0.01 0.00 -0.74 0.00 0.00 36.82 37.67 1xkj h ILE 319 CO -0.01 0.44 -0.49 0.58 0.00 0.00 0.00 178.15 178.68 1xkj h VAL 320 N 0.36 1.47 0.01 1.67 2.07 -0.82 -1.23 116.25 119.78 1xkj h VAL 320 Ca 0.04 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 1xkj h VAL 320 Cb 0.78 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 1xkj h VAL 320 CO 0.06 0.59 -0.00 0.11 0.02 0.00 0.00 177.57 178.34 1xkj h LYS 321 N -0.25 -0.01 -0.01 1.57 1.57 -1.34 -3.37 116.57 114.74 1xkj h LYS 321 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1xkj h LYS 321 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1xkj h LYS 321 CO 0.10 0.45 -0.79 0.66 -0.57 0.00 0.00 179.45 179.30 1xkj n TYR 322 N -4.87 0.00 -2.20 -1.35 4.01 -0.73 -4.61 117.16 107.41 1xkj n TYR 322 Ca -0.08 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.62 1xkj n TYR 322 Cb 0.24 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.35 1xkj n TYR 322 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1xkj n HIS 323 N -0.95 1.05 0.59 -0.72 8.25 -0.47 -5.03 115.22 117.94 1xkj n HIS 323 Ca 0.06 -1.62 0.07 0.00 -0.26 0.00 0.00 57.72 55.97 1xkj n HIS 323 Cb 0.37 -0.25 0.06 0.00 1.12 0.00 0.00 29.99 31.29 1xkj n HIS 323 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41