#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 2.36 0.04 2.12 1.02 -1.24 -5.02 119.74 119.02 1xkj s LYS 2 Ca 0.00 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.19 1xkj s LYS 2 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.87 1xkj s LYS 2 CO 0.00 0.55 -0.21 -0.06 -0.92 0.00 0.00 175.35 174.71 1xkj s PHE 3 N -1.13 1.87 0.30 3.18 0.08 -1.26 -1.33 117.98 119.68 1xkj s PHE 3 Ca 0.20 -0.38 -0.05 0.00 0.12 0.00 0.00 56.93 56.82 1xkj s PHE 3 Cb -0.11 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1xkj s PHE 3 CO 0.12 0.08 0.48 0.41 -0.10 0.00 0.00 175.22 176.21 1xkj n GLY 4 N 1.91 1.89 3.32 4.36 0.00 -0.65 0.32 105.19 116.34 1xkj n GLY 4 Ca -0.17 -1.44 -0.21 0.00 0.00 0.00 0.00 46.02 44.20 1xkj n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xkj s LEU 5 N 0.00 2.43 0.04 0.99 1.02 0.15 -1.16 118.68 122.15 1xkj s LEU 5 Ca 0.20 -0.85 0.02 0.00 0.02 0.00 0.00 54.13 53.51 1xkj s LEU 5 Cb -0.02 -0.79 -0.02 0.00 0.02 0.00 0.00 46.19 45.38 1xkj s LEU 5 CO 0.14 -0.05 -0.06 0.72 0.02 0.00 0.00 176.35 177.12 1xkj s PHE 6 N -2.06 0.58 -0.25 0.29 -0.71 -0.63 -0.24 117.98 114.96 1xkj s PHE 6 Ca 0.15 -0.54 -0.03 0.00 -1.04 0.00 0.00 56.93 55.46 1xkj s PHE 6 Cb -0.06 -0.36 0.02 0.00 -1.21 0.00 0.00 43.02 41.41 1xkj s PHE 6 CO 0.06 -0.12 -0.03 -0.06 -1.34 0.00 0.00 175.22 173.73 1xkj s PHE 7 N -1.59 3.06 0.01 3.49 0.08 0.30 -4.38 117.98 118.95 1xkj s PHE 7 Ca -0.10 -1.32 -0.06 0.00 0.12 0.00 0.00 56.93 55.58 1xkj s PHE 7 Cb -0.09 -2.11 -0.29 0.00 -0.57 0.00 0.00 43.02 39.97 1xkj s PHE 7 CO -0.00 -0.66 0.88 -0.07 -0.10 0.00 0.00 175.22 175.26 1xkj h LEU 8 N 8.08 0.48 -2.06 -0.37 3.38 -1.92 -2.79 115.31 120.10 1xkj h LEU 8 Ca -0.34 -0.63 -0.40 0.00 0.09 0.00 0.00 57.88 56.60 1xkj h LEU 8 Cb 1.12 -0.16 0.08 0.00 0.09 0.00 0.00 40.66 41.80 1xkj h LEU 8 CO 0.59 1.52 -0.85 0.59 0.09 0.00 0.00 178.44 180.38 1xkj n ASN 9 N -3.51 -2.44 -4.83 -0.43 5.03 -1.26 -4.41 115.26 103.41 1xkj n ASN 9 Ca -0.17 -0.82 -0.33 0.00 0.87 0.00 0.00 54.58 54.13 1xkj n ASN 9 Cb 1.05 -4.16 -0.06 0.00 -1.02 0.00 0.00 39.78 35.59 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 -3.59 3.39 0.27 3.10 0.40 -1.26 -2.06 117.98 118.23 1xkj s PHE 10 Ca 0.12 1.40 0.03 0.00 -0.60 0.00 0.00 56.93 57.88 1xkj s PHE 10 Cb -0.03 -2.68 -0.06 0.00 0.51 0.00 0.00 43.02 40.77 1xkj s PHE 10 CO 0.81 0.05 0.05 0.00 0.70 0.00 0.00 175.22 176.82 1xkj s MET 11 N -2.92 1.45 0.00 0.44 0.23 -0.40 -4.92 119.30 113.18 1xkj s MET 11 Ca 0.56 -1.77 0.00 0.00 -1.03 0.00 0.00 55.69 53.45 1xkj s MET 11 Cb -0.11 -0.57 0.00 0.00 -1.53 0.00 0.00 34.83 32.63 1xkj s MET 11 CO 0.16 -0.19 0.00 0.27 -2.03 0.00 0.00 175.02 173.23 1xkj n ASN 12 N -0.51 1.48 -0.10 -1.18 0.23 -1.14 -4.68 115.26 109.36 1xkj n ASN 12 Ca -0.03 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.90 1xkj n ASN 12 Cb 0.65 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.23 1xkj n ASN 12 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1xkj n SER 13 N 0.00 1.45 -0.38 0.53 7.64 -1.26 -4.32 113.62 117.28 1xkj n SER 13 Ca 0.00 -0.07 0.10 0.00 1.01 0.00 0.00 58.87 59.91 1xkj n SER 13 Cb 0.00 0.24 0.41 0.00 -1.01 0.00 0.00 64.21 63.85 1xkj n SER 13 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xkj n LYS 14 N -2.94 1.50 -3.80 1.43 4.01 -1.26 -4.75 118.16 112.35 1xkj n LYS 14 Ca -0.35 -0.75 -0.13 0.00 -0.51 0.00 0.00 58.31 56.57 1xkj n LYS 14 Cb 1.00 -1.35 -0.14 0.00 -0.51 0.00 0.00 35.03 34.03 1xkj n LYS 14 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1xkj s ARG 15 N -1.85 0.08 0.46 1.97 0.52 -1.26 -5.17 118.95 113.70 1xkj s ARG 15 Ca 0.30 0.23 0.07 0.00 -0.52 0.00 0.00 55.73 55.80 1xkj s ARG 15 Cb 0.15 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 1xkj s ARG 15 CO 0.24 -0.09 0.35 -1.54 0.02 0.00 0.00 175.30 174.28 1xkj s SER 16 N 0.62 4.77 0.19 0.23 1.04 -1.26 -2.88 113.70 116.40 1xkj s SER 16 Ca -0.05 -1.00 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1xkj s SER 16 Cb -0.06 -0.19 0.10 0.00 0.10 0.00 0.00 66.02 65.96 1xkj s SER 16 CO -0.03 -0.80 1.46 0.77 0.98 0.00 0.00 173.24 175.62 1xkj h SER 17 N 1.00 0.35 -0.54 7.02 4.64 -1.97 -2.64 113.55 121.42 1xkj h SER 17 Ca -0.40 -0.24 0.05 0.00 -0.47 0.00 0.00 61.79 60.74 1xkj h SER 17 Cb 1.28 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 63.23 1xkj h SER 17 CO 0.60 0.97 0.36 0.44 -0.87 0.00 0.00 176.83 178.32 1xkj h ASP 18 N 0.20 0.46 0.12 4.97 5.19 -2.01 -2.92 116.42 122.42 1xkj h ASP 18 Ca -0.03 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1xkj h ASP 18 Cb 1.30 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1xkj h ASP 18 CO 0.12 0.31 -0.06 -0.61 -3.12 0.00 0.00 179.24 175.88 1xkj h GLN 19 N 0.53 -0.15 -0.56 3.56 4.15 -1.90 -3.05 115.11 117.68 1xkj h GLN 19 Ca 0.23 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.71 1xkj h GLN 19 Cb 0.24 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.93 1xkj h GLN 19 CO -0.06 0.33 0.37 -0.39 -1.93 0.00 0.00 178.83 177.15 1xkj h VAL 20 N -0.86 1.01 -0.39 2.39 -1.51 -1.35 -1.67 116.25 113.86 1xkj h VAL 20 Ca -0.02 -0.19 -0.09 0.00 -1.23 0.00 0.00 66.70 65.17 1xkj h VAL 20 Cb 0.55 0.41 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1xkj h VAL 20 CO 0.03 0.10 -0.11 0.40 -1.23 0.00 0.00 177.57 176.76 1xkj h ILE 21 N 0.55 1.28 -0.87 7.19 2.04 -1.62 -0.71 117.51 125.36 1xkj h ILE 21 Ca 0.24 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.90 1xkj h ILE 21 Cb 0.24 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1xkj h ILE 21 CO -0.07 0.40 0.57 -0.08 0.00 0.00 0.00 178.15 178.98 1xkj h GLU 22 N 0.58 1.16 0.00 2.37 4.57 -1.33 -2.06 114.58 119.87 1xkj h GLU 22 Ca 0.10 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.13 1xkj h GLU 22 Cb 0.64 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1xkj h GLU 22 CO 0.04 0.78 -0.36 0.93 -1.18 0.00 0.00 179.01 179.22 1xkj h GLU 23 N 1.19 0.00 -0.05 1.92 5.08 -0.75 -1.70 114.58 120.26 1xkj h GLU 23 Ca 0.32 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.54 1xkj h GLU 23 Cb -0.12 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1xkj h GLU 23 CO -0.07 0.36 -0.51 1.98 -1.00 0.00 0.00 179.01 179.77 1xkj h MET 24 N 0.00 0.43 -0.27 2.33 4.05 -0.84 -2.44 114.93 118.19 1xkj h MET 24 Ca -0.00 -0.40 -0.06 0.00 -0.28 0.00 0.00 59.70 58.96 1xkj h MET 24 Cb 0.84 0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.72 1xkj h MET 24 CO 0.05 1.05 -0.10 -0.07 0.23 0.00 0.00 176.91 178.06 1xkj h LEU 25 N -0.04 0.42 -0.06 3.39 3.38 -1.16 0.41 115.31 121.66 1xkj h LEU 25 Ca -0.05 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1xkj h LEU 25 Cb 1.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1xkj h LEU 25 CO 0.10 0.57 -0.27 0.44 0.09 0.00 0.00 178.44 179.38 1xkj h ASP 26 N 0.42 0.33 -0.98 -0.43 5.19 -1.36 -2.56 116.42 117.03 1xkj h ASP 26 Ca 0.08 -0.65 0.01 0.00 -0.62 0.00 0.00 57.03 55.85 1xkj h ASP 26 Cb 0.44 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.80 1xkj h ASP 26 CO 0.02 0.93 0.64 0.74 -3.12 0.00 0.00 179.24 178.45 1xkj h THR 27 N -0.24 1.26 -0.76 0.35 2.02 -1.26 -1.46 112.91 112.82 1xkj h THR 27 Ca -0.02 -0.49 0.03 0.00 0.77 0.00 0.00 66.41 66.71 1xkj h THR 27 Cb 0.92 -0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1xkj h THR 27 CO 0.06 0.25 0.48 0.00 0.37 0.00 0.00 175.52 176.68 1xkj h ALA 28 N 1.36 1.00 -0.42 6.16 0.00 -0.90 -0.42 119.26 126.05 1xkj h ALA 28 Ca 0.36 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.10 1xkj h ALA 28 Cb -0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1xkj h ALA 28 CO -0.07 0.27 -0.31 1.25 0.00 0.00 0.00 179.25 180.38 1xkj h HIS 29 N 0.93 1.10 0.26 0.00 6.17 -0.97 -1.65 115.15 120.98 1xkj h HIS 29 Ca 0.31 -0.30 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 1xkj h HIS 29 Cb 0.04 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 29.72 1xkj h HIS 29 CO -0.04 1.12 -0.13 -0.92 0.71 0.00 0.00 177.93 178.68 1xkj h TYR 30 N 0.79 -0.33 -0.03 5.26 3.20 -0.88 -3.28 116.97 121.70 1xkj h TYR 30 Ca 0.08 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1xkj h TYR 30 Cb 0.89 0.11 -0.00 0.00 1.54 0.00 0.00 36.73 39.27 1xkj h TYR 30 CO 0.06 0.04 0.03 0.28 -1.64 0.00 0.00 178.16 176.92 1xkj h VAL 31 N -0.80 0.72 -0.02 1.81 2.07 -1.14 -2.83 116.25 116.05 1xkj h VAL 31 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1xkj h VAL 31 Cb 0.51 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1xkj h VAL 31 CO 0.06 0.00 0.04 -0.78 0.02 0.00 0.00 177.57 176.91 1xkj h ASP 32 N 0.00 0.00 -0.03 0.57 3.58 -1.36 -0.88 116.42 118.31 1xkj h ASP 32 Ca 0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1xkj h ASP 32 Cb 0.07 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.12 1xkj h ASP 32 CO -0.00 0.00 -0.00 0.00 -2.88 0.00 0.00 179.24 176.36 1xkj n GLN 33 N -3.35 1.86 -0.50 0.28 10.64 -1.07 -4.42 117.38 120.81 1xkj n GLN 33 Ca -0.03 -1.72 0.00 0.00 -1.83 0.00 0.00 57.00 53.42 1xkj n GLN 33 Cb 0.12 -1.39 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 1xkj n GLN 33 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 1xkj n LEU 34 N 1.15 0.00 -0.86 2.61 4.77 -0.33 -4.99 117.00 119.35 1xkj n LEU 34 Ca 0.12 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.13 1xkj n LEU 34 Cb 0.51 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.74 1xkj n LEU 34 CO 0.13 -0.43 0.49 0.29 -1.33 0.00 0.00 177.39 176.54 1xkj n LYS 35 N -0.86 2.15 -2.75 3.23 4.76 -1.26 -4.89 118.16 118.54 1xkj n LYS 35 Ca 0.00 -1.02 -0.41 0.00 -2.87 0.00 0.00 58.31 54.01 1xkj n LYS 35 Cb 0.00 -1.64 -0.04 0.00 -1.84 0.00 0.00 35.03 31.51 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 -1.61 3.76 -0.09 2.13 0.08 -1.26 -4.78 117.98 116.22 1xkj s PHE 36 Ca 0.18 1.74 -0.26 0.00 0.12 0.00 0.00 56.93 58.70 1xkj s PHE 36 Cb 0.13 -3.05 -0.22 0.00 -0.57 0.00 0.00 43.02 39.31 1xkj s PHE 36 CO 0.07 0.15 0.94 0.22 -0.10 0.00 0.00 175.22 176.50 1xkj h ASP 37 N 5.92 -0.02 -4.57 1.36 3.58 -0.48 -3.44 116.42 118.77 1xkj h ASP 37 Ca -0.42 -0.72 -0.36 0.00 0.42 0.00 0.00 57.03 55.95 1xkj h ASP 37 Cb 1.21 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 42.06 1xkj h ASP 37 CO 0.73 0.74 -0.76 -0.89 -2.88 0.00 0.00 179.24 176.17 1xkj s THR 38 N -3.06 0.90 -0.13 2.25 2.01 -1.25 -2.08 115.64 114.27 1xkj s THR 38 Ca -0.17 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.60 1xkj s THR 38 Cb -0.01 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.57 1xkj s THR 38 CO 0.64 -0.30 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.30 1xkj s LEU 39 N -1.74 2.22 -0.00 4.42 1.43 0.48 -0.68 118.68 124.81 1xkj s LEU 39 Ca -0.04 -0.55 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1xkj s LEU 39 Cb -0.09 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.63 1xkj s LEU 39 CO 0.01 0.10 -0.23 0.00 0.23 0.00 0.00 176.35 176.47 1xkj s ALA 40 N 0.70 1.91 -0.17 4.21 0.00 0.67 -0.94 121.76 128.14 1xkj s ALA 40 Ca -0.09 -1.02 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 1xkj s ALA 40 Cb -0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1xkj s ALA 40 CO 0.01 0.46 -0.05 0.08 0.00 0.00 0.00 175.76 176.26 1xkj s VAL 41 N -0.59 3.60 0.19 0.00 1.01 -0.52 -0.54 120.40 123.55 1xkj s VAL 41 Ca 0.09 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.44 1xkj s VAL 41 Cb -0.09 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1xkj s VAL 41 CO -0.00 0.47 0.66 -0.47 0.00 0.00 0.00 175.10 175.76 1xkj s TYR 42 N 0.71 3.65 -0.07 5.22 5.04 -1.06 -0.90 117.35 129.95 1xkj s TYR 42 Ca -0.03 1.28 0.02 0.00 -2.44 0.00 0.00 57.07 55.90 1xkj s TYR 42 Cb -0.15 -2.53 -0.03 0.00 0.35 0.00 0.00 41.96 39.60 1xkj s TYR 42 CO 0.02 0.38 -0.09 -2.00 -1.34 0.00 0.00 175.55 172.52 1xkj s GLU 43 N -1.91 2.73 0.07 4.97 2.12 -1.26 -4.52 118.70 120.90 1xkj s GLU 43 Ca 0.40 -0.60 -0.24 0.00 0.36 0.00 0.00 54.97 54.90 1xkj s GLU 43 Cb -0.16 -2.54 0.06 0.00 0.26 0.00 0.00 34.13 31.75 1xkj s GLU 43 CO 0.20 0.62 0.56 1.21 -0.54 0.00 0.00 175.26 177.32 1xkj s ASN 44 N -0.70 -0.50 0.05 -1.70 2.47 0.81 -5.01 114.94 110.36 1xkj s ASN 44 Ca 0.11 0.18 0.05 0.00 0.42 0.00 0.00 52.86 53.61 1xkj s ASN 44 Cb -0.11 0.53 -0.02 0.00 -1.45 0.00 0.00 41.25 40.20 1xkj s ASN 44 CO 0.01 -0.79 -0.14 -1.00 -3.72 0.00 0.00 177.10 171.46 1xkj s HIS 45 N -2.75 1.24 -1.64 0.43 3.76 -1.26 -3.35 115.29 111.72 1xkj s HIS 45 Ca -0.04 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.41 1xkj s HIS 45 Cb -0.00 -0.72 0.08 0.00 1.11 0.00 0.00 32.58 33.04 1xkj s HIS 45 CO -0.04 0.04 0.25 1.19 -0.85 0.00 0.00 174.74 175.34 1xkj n PHE 46 N 1.71 -1.30 -3.62 1.40 3.72 -1.26 -4.94 117.46 113.17 1xkj n PHE 46 Ca -0.19 0.66 -0.10 0.00 -0.05 0.00 0.00 57.45 57.76 1xkj n PHE 46 Cb 0.54 -2.63 -0.03 0.00 -0.94 0.00 0.00 39.48 36.42 1xkj n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xkj s SER 47 N -4.00 -0.37 0.25 4.37 0.15 -1.26 -5.05 113.70 107.79 1xkj s SER 47 Ca 0.28 -0.29 0.13 0.00 0.70 0.00 0.00 55.95 56.77 1xkj s SER 47 Cb -0.16 0.58 0.16 0.00 -1.71 0.00 0.00 66.02 64.89 1xkj s SER 47 CO 0.99 -1.02 1.48 0.78 1.20 0.00 0.00 173.24 176.68 1xkj h ASN 48 N 2.14 0.00 -0.18 5.45 2.35 -1.92 -3.36 115.58 120.05 1xkj h ASN 48 Ca -0.31 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.10 1xkj h ASN 48 Cb 1.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.58 1xkj h ASN 48 CO 0.38 0.63 0.61 0.59 -1.65 0.00 0.00 177.43 177.99 1xkj n ASN 49 N -3.40 6.16 0.00 5.81 3.02 -1.26 -1.28 115.26 124.31 1xkj n ASN 49 Ca 0.01 -2.62 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 1xkj n ASN 49 Cb 0.73 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 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 2.46 2.09 0.07 7.41 0.00 -1.24 -4.86 105.19 111.11 1xkj n GLY 50 Ca 0.51 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.46 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 0.00 0.37 -3.20 1.61 0.31 -0.87 -4.27 118.33 112.28 1xkj n VAL 51 Ca 0.00 -0.26 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 1xkj n VAL 51 Cb 0.00 -0.20 -0.07 0.00 -0.91 0.00 0.00 33.84 32.66 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 -3.14 4.97 -0.78 2.52 1.01 -1.26 -4.89 120.40 118.83 1xkj s VAL 52 Ca 0.07 0.34 0.22 0.00 0.00 0.00 0.00 61.98 62.61 1xkj s VAL 52 Cb 0.13 -4.02 -0.22 0.00 0.00 0.00 0.00 36.38 32.27 1xkj s VAL 52 CO 0.69 -0.29 0.86 0.61 0.00 0.00 0.00 175.10 176.98 1xkj n GLY 53 N 4.80 -1.04 2.66 4.51 0.00 -1.21 -0.13 105.19 114.78 1xkj n GLY 53 Ca -0.04 -0.55 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 1xkj n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xkj s ALA 54 N -3.12 2.30 0.40 4.61 0.00 -1.26 -4.79 121.76 119.91 1xkj s ALA 54 Ca 0.05 -2.83 0.23 0.00 0.00 0.00 0.00 51.96 49.41 1xkj s ALA 54 Cb 0.16 -1.86 1.26 0.00 0.00 0.00 0.00 23.12 22.67 1xkj s ALA 54 CO 0.86 -2.05 2.02 -1.00 0.00 0.00 0.00 175.76 175.59 1xkj h PRO 55 N 6.10 0.00 0.00 0.00 0.13 -1.88 -2.22 132.00 134.13 1xkj h PRO 55 Ca 0.11 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.17 1xkj h PRO 55 Cb 0.88 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1xkj h PRO 55 CO 0.50 0.17 -0.33 -0.07 -0.23 0.00 0.00 178.00 178.03 1xkj h LEU 56 N 0.00 0.00 -0.11 1.56 3.38 -1.95 0.16 115.31 118.35 1xkj h LEU 56 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1xkj h LEU 56 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xkj h LEU 56 CO 0.02 0.33 -0.34 0.74 0.09 0.00 0.00 178.44 179.29 1xkj h THR 57 N 0.00 1.39 -0.54 0.22 2.02 -1.84 -2.77 112.91 111.38 1xkj h THR 57 Ca -0.00 -1.67 -0.03 0.00 0.77 0.00 0.00 66.41 65.48 1xkj h THR 57 Cb 1.04 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 1xkj h THR 57 CO 0.04 0.49 0.23 0.58 0.37 0.00 0.00 175.52 177.24 1xkj h VAL 58 N -0.02 1.21 -0.67 3.16 2.07 -1.33 -2.70 116.25 117.97 1xkj h VAL 58 Ca -0.01 -0.64 0.08 0.00 0.82 0.00 0.00 66.70 66.96 1xkj h VAL 58 Cb 0.96 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1xkj h VAL 58 CO 0.07 0.25 0.44 0.00 0.02 0.00 0.00 177.57 178.35 1xkj h ALA 59 N 1.08 1.86 -0.46 1.67 0.00 -0.97 -0.67 119.26 121.77 1xkj h ALA 59 Ca 0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1xkj h ALA 59 Cb 0.17 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1xkj h ALA 59 CO -0.02 0.00 -0.04 0.78 0.00 0.00 0.00 179.25 179.97 1xkj h GLY 60 N 0.58 0.91 0.91 0.00 0.00 -1.18 0.90 103.07 105.18 1xkj h GLY 60 Ca 0.30 -0.71 -0.03 0.00 0.00 0.00 0.00 47.33 46.89 1xkj h GLY 60 CO -0.10 0.65 -0.29 -2.75 0.00 0.00 0.00 176.54 174.06 1xkj h PHE 61 N 0.69 -0.74 -0.98 5.60 3.57 -1.13 -2.09 116.94 121.86 1xkj h PHE 61 Ca 0.13 -0.02 0.18 0.00 3.53 0.00 0.00 57.97 61.78 1xkj h PHE 61 Cb 0.56 0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.45 1xkj h PHE 61 CO 0.04 -0.43 0.58 -0.07 -2.23 0.00 0.00 178.31 176.21 1xkj h LEU 62 N -0.91 0.76 -1.06 0.59 3.38 -1.08 0.90 115.31 117.89 1xkj h LEU 62 Ca -0.08 0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1xkj h LEU 62 Cb 0.65 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1xkj h LEU 62 CO 0.13 0.29 -0.40 -0.07 0.09 0.00 0.00 178.44 178.48 1xkj h LEU 63 N 0.77 0.14 -0.50 1.67 3.38 -0.70 -2.04 115.31 118.03 1xkj h LEU 63 Ca 0.55 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.39 1xkj h LEU 63 Cb 0.82 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1xkj h LEU 63 CO -0.37 0.53 -0.38 1.23 0.09 0.00 0.00 178.44 179.55 1xkj h GLY 64 N 1.22 0.00 -0.39 0.83 0.00 -0.12 -3.27 103.07 101.35 1xkj h GLY 64 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xkj h GLY 64 CO 0.06 0.00 -0.74 1.15 0.00 0.00 0.00 176.54 177.01 1xkj n MET 65 N -3.32 0.80 -4.08 4.80 0.00 -0.94 -4.96 117.12 109.41 1xkj n MET 65 Ca 0.01 -0.40 -0.22 0.00 0.00 0.00 0.00 57.70 57.09 1xkj n MET 65 Cb 0.60 -1.44 -0.05 0.00 0.00 0.00 0.00 33.22 32.33 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 -2.66 3.98 0.00 3.17 -4.23 -0.78 -5.00 115.64 110.13 1xkj s THR 66 Ca 0.12 -1.50 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1xkj s THR 66 Cb 0.16 -3.24 0.00 0.00 1.34 0.00 0.00 72.50 70.76 1xkj s THR 66 CO 0.70 -0.30 0.00 0.29 -0.54 0.00 0.00 174.62 174.77 1xkj n LYS 67 N -1.18 2.28 -0.06 3.99 5.02 -1.26 -4.88 118.16 122.07 1xkj n LYS 67 Ca -0.06 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.15 1xkj n LYS 67 Cb 0.59 -0.87 -0.07 0.00 -0.02 0.00 0.00 35.03 34.66 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 -1.37 2.80 -4.85 4.39 3.02 -1.26 -5.04 115.26 112.95 1xkj n ASN 68 Ca 0.00 -0.05 -0.32 0.00 -0.03 0.00 0.00 54.58 54.19 1xkj n ASN 68 Cb 0.19 0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.48 1xkj n ASN 68 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xkj s ALA 69 N -2.26 3.11 0.22 5.41 0.00 -1.26 -5.04 121.76 121.94 1xkj s ALA 69 Ca -0.13 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.77 1xkj s ALA 69 Cb 0.04 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 1xkj s ALA 69 CO 0.34 -0.33 0.57 0.15 0.00 0.00 0.00 175.76 176.50 1xkj s LYS 70 N -4.34 3.88 -0.05 0.00 1.02 -0.89 -4.94 119.74 114.42 1xkj s LYS 70 Ca 0.57 0.38 0.06 0.00 0.02 0.00 0.00 55.97 57.00 1xkj s LYS 70 Cb -0.10 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 1xkj s LYS 70 CO 0.37 0.35 -0.24 0.08 -0.92 0.00 0.00 175.35 174.99 1xkj s VAL 71 N -1.73 2.12 0.08 3.17 1.01 -0.63 -0.39 120.40 124.03 1xkj s VAL 71 Ca 0.45 -1.05 0.02 0.00 0.00 0.00 0.00 61.98 61.40 1xkj s VAL 71 Cb -0.12 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1xkj s VAL 71 CO 0.20 0.57 -0.07 0.00 0.00 0.00 0.00 175.10 175.81 1xkj s ALA 72 N -0.24 0.82 -0.07 5.51 0.00 -0.11 -1.68 121.76 125.99 1xkj s ALA 72 Ca -0.01 -1.17 -0.20 0.00 0.00 0.00 0.00 51.96 50.57 1xkj s ALA 72 Cb -0.13 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 1xkj s ALA 72 CO 0.03 -0.19 0.57 -1.54 0.00 0.00 0.00 175.76 174.64 1xkj s SER 73 N -2.62 6.85 0.07 0.00 1.04 -1.09 -1.44 113.70 116.52 1xkj s SER 73 Ca 0.05 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.52 1xkj s SER 73 Cb 0.01 -2.34 -0.25 0.00 0.10 0.00 0.00 66.02 63.54 1xkj s SER 73 CO -0.04 -0.00 1.11 0.25 0.98 0.00 0.00 173.24 175.54 1xkj h LEU 74 N 6.41 0.20 -5.01 2.42 5.85 -1.20 -1.01 115.31 122.98 1xkj h LEU 74 Ca -0.42 -0.24 -0.25 0.00 0.84 0.00 0.00 57.88 57.81 1xkj h LEU 74 Cb 1.19 -0.07 -0.22 0.00 0.37 0.00 0.00 40.66 41.94 1xkj h LEU 74 CO 0.74 1.19 -0.57 -0.46 -0.34 0.00 0.00 178.44 178.99 1xkj n ASN 75 N -3.40 -0.99 -4.64 1.25 6.94 -1.24 -4.34 115.26 108.83 1xkj n ASN 75 Ca -0.07 -2.51 -0.42 0.00 -0.02 0.00 0.00 54.58 51.56 1xkj n ASN 75 Cb 0.99 0.59 -0.03 0.00 -2.36 0.00 0.00 39.78 38.98 1xkj n ASN 75 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1xkj s HIS 76 N -0.70 1.41 -0.48 -2.53 2.46 -1.08 -4.34 115.29 110.03 1xkj s HIS 76 Ca 0.23 -0.04 -0.28 0.00 0.47 0.00 0.00 55.06 55.43 1xkj s HIS 76 Cb 0.42 -4.11 0.00 0.00 -0.13 0.00 0.00 32.58 28.76 1xkj s HIS 76 CO -0.06 -4.75 1.53 0.08 -2.47 0.00 0.00 174.74 169.07 1xkj s VAL 77 N 5.43 3.72 -0.25 0.89 1.01 -1.26 -0.98 120.40 128.97 1xkj s VAL 77 Ca 0.88 0.67 0.21 0.00 0.00 0.00 0.00 61.98 63.74 1xkj s VAL 77 Cb -0.37 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 31.88 1xkj s VAL 77 CO 0.37 -0.88 1.14 0.16 0.00 0.00 0.00 175.10 175.89 1xkj h ILE 78 N 6.54 0.11 -0.63 2.22 3.07 -1.76 -3.37 117.51 123.69 1xkj h ILE 78 Ca -0.28 -1.20 0.06 0.00 1.55 0.00 0.00 64.86 65.00 1xkj h ILE 78 Cb 1.12 1.71 -0.04 0.00 -0.27 0.00 0.00 36.82 39.34 1xkj h ILE 78 CO 1.13 0.06 0.42 0.74 -1.05 0.00 0.00 178.15 179.45 1xkj h THR 79 N 0.00 0.99 -0.39 0.16 2.02 -1.90 -1.83 112.91 111.97 1xkj h THR 79 Ca -0.02 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1xkj h THR 79 Cb 1.10 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1xkj h THR 79 CO 0.01 0.11 0.00 0.35 0.37 0.00 0.00 175.52 176.36 1xkj n THR 80 N -4.48 1.78 -4.34 3.16 -2.24 -1.26 -4.89 114.28 102.01 1xkj n THR 80 Ca 0.09 -0.92 -0.18 0.00 -2.27 0.00 0.00 64.05 60.77 1xkj n THR 80 Cb 0.24 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 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 -2.13 1.64 -0.14 4.78 4.02 -0.69 -5.02 115.29 117.76 1xkj s HIS 81 Ca 0.36 -0.73 -0.27 0.00 1.02 0.00 0.00 55.06 55.44 1xkj s HIS 81 Cb 0.27 -0.87 -0.02 0.00 -1.02 0.00 0.00 32.58 30.95 1xkj s HIS 81 CO 0.11 0.18 0.88 -1.58 1.02 0.00 0.00 174.74 175.35 1xkj s HIS 82 N -3.17 3.47 0.56 1.40 5.65 -1.26 -4.93 115.29 117.00 1xkj s HIS 82 Ca 0.24 1.37 0.24 0.00 0.25 0.00 0.00 55.06 57.17 1xkj s HIS 82 Cb 0.03 -3.05 1.55 0.00 -1.18 0.00 0.00 32.58 29.92 1xkj s HIS 82 CO 0.07 -0.20 2.15 -1.00 -0.65 0.00 0.00 174.74 175.11 1xkj h PRO 83 N 7.19 0.00 -0.17 2.88 0.13 -1.88 -1.57 132.00 138.58 1xkj h PRO 83 Ca -0.31 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.68 1xkj h PRO 83 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1xkj h PRO 83 CO 0.83 0.00 -0.50 0.28 -0.23 0.00 0.00 178.00 178.38 1xkj h VAL 84 N 0.00 1.32 -0.34 1.56 2.07 -1.93 -2.12 116.25 116.81 1xkj h VAL 84 Ca 0.05 -1.73 -0.07 0.00 0.82 0.00 0.00 66.70 65.78 1xkj h VAL 84 Cb 0.26 1.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1xkj h VAL 84 CO -0.00 0.53 -0.04 -0.09 0.02 0.00 0.00 177.57 177.99 1xkj h ARG 85 N 0.37 0.63 -0.51 1.57 2.43 -1.69 -2.03 114.38 115.15 1xkj h ARG 85 Ca 0.02 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 1xkj h ARG 85 Cb 1.01 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 1xkj h ARG 85 CO 0.09 0.78 0.18 0.28 -1.51 0.00 0.00 179.97 179.79 1xkj h VAL 86 N 0.42 1.22 -0.70 0.20 2.07 -1.45 -1.30 116.25 116.71 1xkj h VAL 86 Ca 0.09 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.85 1xkj h VAL 86 Cb 0.52 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1xkj h VAL 86 CO 0.03 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.15 1xkj h ALA 87 N 1.04 1.14 -0.68 1.67 0.00 -1.38 -0.13 119.26 120.92 1xkj h ALA 87 Ca 0.17 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1xkj h ALA 87 Cb 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1xkj h ALA 87 CO -0.01 0.61 0.19 0.93 0.00 0.00 0.00 179.25 180.97 1xkj h GLU 88 N 1.02 1.06 0.09 0.00 5.08 -0.98 -1.24 114.58 119.61 1xkj h GLU 88 Ca 0.23 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xkj h GLU 88 Cb 0.22 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1xkj h GLU 88 CO -0.02 0.93 -0.04 0.93 -1.00 0.00 0.00 179.01 179.82 1xkj h GLU 89 N 1.00 -0.11 -0.88 2.33 5.08 -0.84 -2.77 114.58 118.38 1xkj h GLU 89 Ca 0.22 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1xkj h GLU 89 Cb 0.33 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1xkj h GLU 89 CO -0.00 0.28 0.57 0.00 -1.00 0.00 0.00 179.01 178.86 1xkj h ALA 90 N 0.33 1.14 0.00 3.43 0.00 -0.99 -1.65 119.26 121.53 1xkj h ALA 90 Ca -0.01 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 1xkj h ALA 90 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1xkj h ALA 90 CO 0.02 0.45 -0.27 0.00 0.00 0.00 0.00 179.25 179.44 1xkj h LEU 92 N 0.00 0.43 -1.13 0.00 5.85 -1.02 -1.47 115.31 117.97 1xkj h LEU 92 Ca -0.00 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1xkj h LEU 92 Cb 0.50 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 1xkj h LEU 92 CO 0.04 0.82 0.48 -0.07 -0.34 0.00 0.00 178.44 179.37 1xkj h LEU 93 N 0.05 0.95 -0.49 2.25 3.38 -0.95 0.18 115.31 120.69 1xkj h LEU 93 Ca 0.03 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1xkj h LEU 93 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1xkj h LEU 93 CO 0.04 0.73 0.02 -0.78 0.09 0.00 0.00 178.44 178.55 1xkj h ASP 94 N 1.10 0.82 0.22 -0.43 3.58 -1.16 -1.57 116.42 118.98 1xkj h ASP 94 Ca 0.29 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1xkj h ASP 94 Cb -0.05 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.78 1xkj h ASP 94 CO -0.05 0.91 -0.11 1.56 -2.88 0.00 0.00 179.24 178.67 1xkj h GLN 95 N 0.70 -0.29 -0.79 0.28 1.08 -0.76 -1.06 115.11 114.27 1xkj h GLN 95 Ca 0.14 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.44 1xkj h GLN 95 Cb 0.48 0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.91 1xkj h GLN 95 CO 0.02 0.09 0.46 0.52 -0.95 0.00 0.00 178.83 178.98 1xkj h MET 96 N -0.84 0.79 -0.01 1.46 2.86 -1.01 -2.23 114.93 115.95 1xkj h MET 96 Ca -0.03 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1xkj h MET 96 Cb 0.51 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1xkj h MET 96 CO 0.05 0.52 -0.10 -1.13 1.06 0.00 0.00 176.91 177.31 1xkj n SER 97 N -4.72 0.89 -3.47 1.22 3.41 -0.59 -4.94 113.62 105.43 1xkj n SER 97 Ca 0.12 -0.99 -0.18 0.00 -0.26 0.00 0.00 58.87 57.56 1xkj n SER 97 Cb 0.22 0.01 0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.53 -6.36 -0.90 4.33 1.02 -0.79 -3.50 120.64 113.91 1xkj n GLU 98 Ca 0.16 0.82 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1xkj n GLU 98 Cb 0.30 -5.77 0.00 0.00 -0.02 0.00 0.00 31.44 25.95 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 -1.19 0.49 0.51 0.62 0.00 -0.47 -4.95 105.19 100.20 1xkj n GLY 99 Ca -0.29 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.90 1.68 -3.66 1.61 1.74 -1.23 -4.90 116.66 109.00 1xkj n ARG 100 Ca 0.00 -1.02 -0.37 0.00 -0.77 0.00 0.00 57.85 55.69 1xkj n ARG 100 Cb 0.00 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 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 -2.02 3.64 -0.08 -1.55 5.36 -1.26 -1.61 117.98 120.46 1xkj s PHE 101 Ca 0.37 0.76 0.03 0.00 -0.96 0.00 0.00 56.93 57.13 1xkj s PHE 101 Cb 0.21 -2.16 0.01 0.00 -0.34 0.00 0.00 43.02 40.74 1xkj s PHE 101 CO 0.34 0.63 -0.18 0.00 -1.46 0.00 0.00 175.22 174.55 1xkj s ALA 102 N -0.86 1.69 -0.97 11.12 0.00 -0.68 -4.27 121.76 127.80 1xkj s ALA 102 Ca 0.19 -0.68 -0.17 0.00 0.00 0.00 0.00 51.96 51.30 1xkj s ALA 102 Cb -0.14 -0.68 0.15 0.00 0.00 0.00 0.00 23.12 22.45 1xkj s ALA 102 CO 0.08 0.20 1.14 0.12 0.00 0.00 0.00 175.76 177.30 1xkj s PHE 103 N 0.49 3.27 -0.14 0.00 5.36 0.10 -2.68 117.98 124.38 1xkj s PHE 103 Ca -0.16 -1.60 -0.20 0.00 -0.96 0.00 0.00 56.93 54.00 1xkj s PHE 103 Cb -0.17 -4.23 -0.03 0.00 -0.34 0.00 0.00 43.02 38.25 1xkj s PHE 103 CO 0.06 -1.41 0.59 0.20 -1.46 0.00 0.00 175.22 173.20 1xkj s GLY 104 N 3.30 2.28 0.40 13.12 0.00 -0.38 -2.50 107.32 123.54 1xkj s GLY 104 Ca 0.33 -0.17 0.03 0.00 0.00 0.00 0.00 44.72 44.91 1xkj s GLY 104 CO -0.08 1.09 0.08 -0.11 0.00 0.00 0.00 173.10 174.09 1xkj s PHE 105 N 1.24 1.88 0.22 1.90 -0.71 -0.17 -2.64 117.98 119.70 1xkj s PHE 105 Ca 0.29 -1.11 -0.20 0.00 -1.04 0.00 0.00 56.93 54.87 1xkj s PHE 105 Cb -0.16 -1.29 0.03 0.00 -1.21 0.00 0.00 43.02 40.40 1xkj s PHE 105 CO 0.12 -0.10 0.60 0.45 -1.34 0.00 0.00 175.22 174.96 1xkj s SER 106 N -3.61 -0.33 0.62 1.98 0.15 -0.15 -1.96 113.70 110.39 1xkj s SER 106 Ca 0.25 -0.42 -0.06 0.00 0.70 0.00 0.00 55.95 56.43 1xkj s SER 106 Cb 0.05 0.63 0.02 0.00 -1.71 0.00 0.00 66.02 65.01 1xkj s SER 106 CO 0.13 -1.13 0.92 -0.62 1.20 0.00 0.00 173.24 173.74 1xkj s ASP 107 N -2.86 5.36 -0.43 5.45 2.15 -1.26 -2.14 116.67 122.93 1xkj s ASP 107 Ca 0.08 0.59 -0.19 0.00 0.43 0.00 0.00 52.55 53.46 1xkj s ASP 107 Cb -0.03 -1.49 0.02 0.00 -0.30 0.00 0.00 42.92 41.13 1xkj s ASP 107 CO -0.02 -1.21 0.56 0.00 -0.17 0.00 0.00 175.17 174.34 1xkj h GLU 109 N 8.81 0.35 -5.26 0.00 4.11 -2.00 -3.45 114.58 117.13 1xkj h GLU 109 Ca -0.26 -0.42 -0.61 0.00 0.07 0.00 0.00 59.36 58.14 1xkj h GLU 109 Cb 1.10 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 1xkj h GLU 109 CO 0.85 1.12 -0.28 0.15 0.07 0.00 0.00 179.01 180.93 1xkj s LYS 110 N -3.09 4.10 0.50 1.06 1.02 -1.26 -4.96 119.74 117.11 1xkj s LYS 110 Ca -0.05 0.05 0.22 0.00 0.02 0.00 0.00 55.97 56.21 1xkj s LYS 110 Cb 0.08 -3.58 1.31 0.00 -0.52 0.00 0.00 37.83 35.13 1xkj s LYS 110 CO 0.87 -0.10 2.07 0.77 -0.92 0.00 0.00 175.35 178.04 1xkj h SER 111 N 7.67 0.00 -0.13 2.83 0.02 -1.98 -2.07 113.55 119.89 1xkj h SER 111 Ca -0.35 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.53 1xkj h SER 111 Cb 1.16 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.69 1xkj h SER 111 CO 0.68 0.13 -0.14 0.00 -1.14 0.00 0.00 176.83 176.36 1xkj h ALA 112 N 1.87 1.22 -0.00 3.77 0.00 -2.00 -2.35 119.26 121.77 1xkj h ALA 112 Ca -0.00 -0.28 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1xkj h ALA 112 Cb 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xkj h ALA 112 CO 0.02 0.50 -0.78 -0.44 0.00 0.00 0.00 179.25 178.55 1xkj h ASP 113 N 0.46 0.08 -0.02 0.00 3.32 -1.80 -2.14 116.42 116.32 1xkj h ASP 113 Ca 0.08 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1xkj h ASP 113 Cb 0.51 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1xkj h ASP 113 CO 0.03 0.83 0.01 0.24 -1.72 0.00 0.00 179.24 178.63 1xkj h MET 114 N 0.04 0.03 -0.71 3.56 2.86 -1.26 -2.40 114.93 117.05 1xkj h MET 114 Ca -0.02 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1xkj h MET 114 Cb 1.38 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 1xkj h MET 114 CO 0.11 0.16 0.43 0.00 1.06 0.00 0.00 176.91 178.67 1xkj h ARG 115 N -0.10 0.96 -1.00 1.72 3.08 -1.44 -1.82 114.38 115.78 1xkj h ARG 115 Ca 0.01 -0.08 0.12 0.00 0.07 0.00 0.00 59.98 60.09 1xkj h ARG 115 Cb 0.14 -0.20 -0.08 0.00 0.08 0.00 0.00 29.97 29.90 1xkj h ARG 115 CO -0.00 0.68 0.63 0.35 -1.07 0.00 0.00 179.97 180.55 1xkj h PHE 116 N 0.96 1.13 -0.68 3.04 3.04 -1.23 -2.24 116.94 120.96 1xkj h PHE 116 Ca 0.25 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1xkj h PHE 116 Cb -0.04 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.11 1xkj h PHE 116 CO -0.01 0.46 0.00 1.19 -2.02 0.00 0.00 178.31 177.92 1xkj n PHE 117 N -4.60 1.21 -2.68 0.41 3.72 -0.92 -4.97 117.46 109.63 1xkj n PHE 117 Ca 0.19 -0.53 -0.18 0.00 -0.05 0.00 0.00 57.45 56.87 1xkj n PHE 117 Cb 0.35 -0.12 0.02 0.00 -0.94 0.00 0.00 39.48 38.79 1xkj n PHE 117 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xkj n ASN 118 N 1.37 -5.34 -4.92 4.37 3.02 -0.84 -5.02 115.26 107.90 1xkj n ASN 118 Ca 0.25 -0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.33 1xkj n ASN 118 Cb 0.74 -4.27 -0.04 0.00 -0.61 0.00 0.00 39.78 35.60 1xkj n ASN 118 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1xkj s ARG 119 N -5.27 3.44 -0.55 3.52 1.81 -0.74 -5.03 118.95 116.13 1xkj s ARG 119 Ca 0.16 -0.42 -0.28 0.00 -1.72 0.00 0.00 55.73 53.47 1xkj s ARG 119 Cb -0.07 -3.04 0.01 0.00 -0.45 0.00 0.00 34.95 31.40 1xkj s ARG 119 CO 0.20 0.61 1.47 -1.25 -0.68 0.00 0.00 175.30 175.65 1xkj s PRO 120 N -2.47 3.26 0.25 3.54 0.04 -1.26 -4.38 135.00 133.98 1xkj s PRO 120 Ca 0.35 0.54 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 1xkj s PRO 120 Cb -0.13 -4.15 0.36 0.00 0.04 0.00 0.00 34.50 30.62 1xkj s PRO 120 CO 0.27 -1.98 1.58 1.15 0.04 0.00 0.00 177.00 178.06 1xkj h THR 121 N 6.44 0.13 0.00 1.26 2.02 -1.93 -1.74 112.91 119.09 1xkj h THR 121 Ca -0.27 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 1xkj h THR 121 Cb 1.10 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1xkj h THR 121 CO 1.17 0.00 -0.14 0.44 0.37 0.00 0.00 175.52 177.36 1xkj h ASP 122 N -0.01 0.00 -0.34 4.18 3.32 -2.00 -3.00 116.42 118.57 1xkj h ASP 122 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1xkj h ASP 122 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xkj h ASP 122 CO -0.89 0.14 0.00 -1.20 -1.72 0.00 0.00 179.24 175.57 1xkj n SER 123 N -3.28 2.42 -0.12 6.45 7.64 -0.67 -4.70 113.62 121.36 1xkj n SER 123 Ca 0.00 -1.89 -0.03 0.00 1.01 0.00 0.00 58.87 57.96 1xkj n SER 123 Cb 0.39 -0.22 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1xkj n SER 123 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1xkj n GLN 124 N 0.81 -0.13 0.16 1.43 0.00 -1.14 -0.72 117.38 117.79 1xkj n GLN 124 Ca 0.17 0.67 0.03 0.00 -0.00 0.00 0.00 57.00 57.87 1xkj n GLN 124 Cb 0.42 -0.99 0.40 0.00 0.00 0.00 0.00 30.24 30.07 1xkj n GLN 124 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.06 177.41 1xkj h PHE 125 N 0.00 0.13 -0.15 3.69 3.57 -1.88 -1.72 116.94 120.57 1xkj h PHE 125 Ca 0.05 -0.02 -0.22 0.00 3.53 0.00 0.00 57.97 61.31 1xkj h PHE 125 Cb 0.12 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 38.83 1xkj h PHE 125 CO -0.52 0.34 -0.76 1.96 -2.23 0.00 0.00 178.31 177.10 1xkj h GLN 126 N 0.11 0.75 -0.57 1.11 7.50 -1.28 -2.63 115.11 120.11 1xkj h GLN 126 Ca 0.02 -0.61 -0.04 0.00 0.50 0.00 0.00 58.65 58.52 1xkj h GLN 126 Cb 0.45 0.12 -0.03 0.00 0.05 0.00 0.00 27.48 28.08 1xkj h GLN 126 CO 0.03 1.22 0.19 1.25 -1.50 0.00 0.00 178.83 180.02 1xkj h LEU 127 N 0.52 0.77 -0.09 1.46 5.85 -0.77 -2.47 115.31 120.57 1xkj h LEU 127 Ca -0.05 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1xkj h LEU 127 Cb 1.38 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.21 1xkj h LEU 127 CO 0.15 0.72 0.05 0.15 -0.34 0.00 0.00 178.44 179.17 1xkj h PHE 128 N 0.82 0.13 0.00 1.25 3.57 -1.19 -1.70 116.94 119.83 1xkj h PHE 128 Ca 0.19 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1xkj h PHE 128 Cb 0.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1xkj h PHE 128 CO 0.01 0.19 0.00 0.66 -2.23 0.00 0.00 178.31 176.95 1xkj h SER 129 N 0.03 0.00 0.38 0.41 4.64 -1.31 -2.38 113.55 115.33 1xkj h SER 129 Ca 0.03 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.03 1xkj h SER 129 Cb 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.23 1xkj h SER 129 CO -0.00 0.00 -1.42 -0.33 -0.87 0.00 0.00 176.83 174.21 1xkj h GLU 130 N 0.00 0.45 -0.07 4.77 4.39 -1.28 -2.52 114.58 120.32 1xkj h GLU 130 Ca 0.00 -0.77 0.01 0.00 0.34 0.00 0.00 59.36 58.94 1xkj h GLU 130 Cb 0.69 0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.61 1xkj h GLU 130 CO 0.00 1.37 -0.00 0.00 -1.16 0.00 0.00 179.01 179.21 1xkj h HIS 132 N 0.02 1.03 0.00 0.00 -0.00 -1.47 -0.65 115.15 114.08 1xkj h HIS 132 Ca 0.03 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.36 1xkj h HIS 132 Cb 0.04 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 1xkj h HIS 132 CO -0.12 0.60 -0.31 0.87 -0.00 0.00 0.00 177.93 178.97 1xkj h LYS 133 N 1.07 0.00 -0.07 5.26 1.57 -1.15 -0.64 116.57 122.60 1xkj h LYS 133 Ca 0.34 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.92 1xkj h LYS 133 Cb 0.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.34 1xkj h LYS 133 CO -0.10 0.31 -0.74 0.82 -0.57 0.00 0.00 179.45 179.17 1xkj h ILE 134 N 0.00 1.33 -0.31 1.86 2.04 -0.75 -1.76 117.51 119.93 1xkj h ILE 134 Ca -0.00 -2.03 -0.05 0.00 1.00 0.00 0.00 64.86 63.78 1xkj h ILE 134 Cb 0.64 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1xkj h ILE 134 CO 0.04 0.62 0.02 0.40 0.00 0.00 0.00 178.15 179.23 1xkj h ILE 135 N 0.26 1.25 -0.25 -0.67 2.04 -1.04 -2.33 117.51 116.76 1xkj h ILE 135 Ca -0.07 -0.91 -0.06 0.00 1.00 0.00 0.00 64.86 64.82 1xkj h ILE 135 Cb 1.40 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1xkj h ILE 135 CO 0.15 0.29 -0.10 -1.13 0.00 0.00 0.00 178.15 177.36 1xkj h ASN 136 N 0.34 0.40 0.01 1.72 -1.24 -1.16 0.26 115.58 115.90 1xkj h ASN 136 Ca 0.09 -0.09 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1xkj h ASN 136 Cb 0.41 -0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1xkj h ASN 136 CO 0.01 0.54 -0.00 0.44 -1.29 0.00 0.00 177.43 177.13 1xkj h ASP 137 N 0.39 -0.01 -0.74 1.15 5.19 -1.18 0.39 116.42 121.61 1xkj h ASP 137 Ca 0.08 -0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.41 1xkj h ASP 137 Cb 0.43 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.90 1xkj h ASP 137 CO 0.02 0.09 0.48 0.00 -3.12 0.00 0.00 179.24 176.71 1xkj h ALA 138 N 0.88 0.95 0.47 3.45 0.00 -0.85 0.15 119.26 124.31 1xkj h ALA 138 Ca -0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1xkj h ALA 138 Cb 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xkj h ALA 138 CO 0.00 0.31 -0.28 0.74 0.00 0.00 0.00 179.25 180.02 1xkj h PHE 139 N 0.96 -0.73 -0.00 0.00 0.04 -0.62 -0.60 116.94 115.99 1xkj h PHE 139 Ca 0.28 -0.01 -0.15 0.00 2.80 0.00 0.00 57.97 60.90 1xkj h PHE 139 Cb -0.05 0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1xkj h PHE 139 CO -0.03 -0.43 -0.70 1.79 -0.60 0.00 0.00 178.31 178.34 1xkj h THR 140 N -0.70 1.50 0.00 -1.55 1.35 -0.69 -3.36 112.91 109.46 1xkj h THR 140 Ca -0.05 -2.39 -0.02 0.00 -0.55 0.00 0.00 66.41 63.39 1xkj h THR 140 Cb 0.57 2.29 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 1xkj h THR 140 CO 0.06 0.68 -1.11 0.35 -0.25 0.00 0.00 175.52 175.26 1xkj n THR 141 N -3.71 0.07 -0.15 6.82 -2.24 0.49 -4.86 114.28 110.70 1xkj n THR 141 Ca -0.01 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1xkj n THR 141 Cb 0.68 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 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 2.66 0.75 3.22 3.38 0.00 -0.23 -5.02 105.19 109.94 1xkj n GLY 142 Ca -0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.43 1.17 -0.01 1.61 1.51 -1.26 -0.88 117.35 117.06 1xkj s TYR 143 Ca 0.00 -0.77 -0.05 0.00 -1.01 0.00 0.00 57.07 55.24 1xkj s TYR 143 Cb 0.00 -0.61 0.00 0.00 -0.11 0.00 0.00 41.96 41.24 1xkj s TYR 143 CO 0.00 0.03 0.10 0.00 -1.11 0.00 0.00 175.55 174.57 1xkj n HIS 145 N 1.99 -2.23 -2.53 0.00 -0.00 -1.26 -2.62 115.22 108.56 1xkj n HIS 145 Ca -0.20 -2.43 -0.33 0.00 -0.00 0.00 0.00 57.72 54.76 1xkj n HIS 145 Cb 0.57 0.80 -0.04 0.00 -0.00 0.00 0.00 29.99 31.31 1xkj n HIS 145 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 1xkj s PRO 146 N 0.23 3.91 -0.45 1.57 0.04 -1.26 -4.97 135.00 134.07 1xkj s PRO 146 Ca 0.32 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1xkj s PRO 146 Cb 0.08 -2.12 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1xkj s PRO 146 CO -0.14 -0.31 0.51 1.21 0.04 0.00 0.00 177.00 178.31 1xkj s ASN 147 N -2.42 0.11 0.09 6.66 2.47 -1.21 -3.32 114.94 117.32 1xkj s ASN 147 Ca 0.63 -2.28 -0.01 0.00 0.42 0.00 0.00 52.86 51.62 1xkj s ASN 147 Cb -0.12 0.72 0.00 0.00 -1.45 0.00 0.00 41.25 40.40 1xkj s ASN 147 CO 0.23 -0.13 0.12 -0.46 -3.72 0.00 0.00 177.10 173.14 1xkj n ASN 148 N 3.09 -0.35 0.23 -4.21 0.23 -0.91 -5.04 115.26 108.30 1xkj n ASN 148 Ca 0.22 -1.47 0.08 0.00 -0.53 0.00 0.00 54.58 52.89 1xkj n ASN 148 Cb 0.51 0.64 0.57 0.00 -2.08 0.00 0.00 39.78 39.43 1xkj n ASN 148 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1xkj h ASP 149 N 0.49 0.00 0.05 0.53 5.19 -2.02 -3.31 116.42 117.34 1xkj h ASP 149 Ca -0.07 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.00 1xkj h ASP 149 Cb 0.30 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.77 1xkj h ASP 149 CO 0.09 0.20 -1.92 0.49 -3.12 0.00 0.00 179.24 174.97 1xkj n PHE 150 N -3.91 0.80 -4.32 4.55 3.72 -1.26 -4.96 117.46 112.08 1xkj n PHE 150 Ca -0.02 0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.42 1xkj n PHE 150 Cb 0.29 -1.09 -0.16 0.00 -0.94 0.00 0.00 39.48 37.57 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 -2.48 0.88 -0.24 1.38 2.02 -1.25 -5.12 117.35 112.55 1xkj s TYR 151 Ca -0.29 -0.23 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 1xkj s TYR 151 Cb 0.08 -0.67 0.13 0.00 -0.40 0.00 0.00 41.96 41.10 1xkj s TYR 151 CO 0.64 -0.13 0.39 0.45 -1.57 0.00 0.00 175.55 175.33 1xkj s SER 152 N 0.42 0.10 0.13 2.29 0.15 -1.26 -2.14 113.70 113.39 1xkj s SER 152 Ca -0.06 0.37 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 1xkj s SER 152 Cb -0.10 1.19 0.03 0.00 -1.71 0.00 0.00 66.02 65.43 1xkj s SER 152 CO 0.01 -0.29 0.39 0.72 1.20 0.00 0.00 173.24 175.27 1xkj s PHE 153 N 2.57 -0.17 1.16 3.44 -0.12 -1.21 -5.04 117.98 118.61 1xkj s PHE 153 Ca 0.11 -0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 56.66 1xkj s PHE 153 Cb -0.15 0.24 0.27 0.00 -0.63 0.00 0.00 43.02 42.75 1xkj s PHE 153 CO -0.15 -0.70 1.07 -1.25 -0.05 0.00 0.00 175.22 174.13 1xkj s PRO 154 N -3.81 -0.88 0.12 1.99 0.04 -1.26 -4.34 135.00 126.85 1xkj s PRO 154 Ca 0.04 0.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.02 1xkj s PRO 154 Cb 0.02 -1.61 -0.09 0.00 0.04 0.00 0.00 34.50 32.86 1xkj s PRO 154 CO -0.11 -3.55 1.55 0.21 0.04 0.00 0.00 177.00 175.13 1xkj s LYS 155 N -5.10 4.23 0.13 4.56 2.20 -1.26 -4.79 119.74 119.72 1xkj s LYS 155 Ca 0.68 2.27 0.06 0.00 -0.36 0.00 0.00 55.97 58.63 1xkj s LYS 155 Cb -0.15 -3.33 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1xkj s LYS 155 CO 0.58 -0.61 -0.14 0.96 -0.36 0.00 0.00 175.35 175.77 1xkj s ILE 156 N 1.67 1.41 -0.08 5.43 -4.36 -1.08 -5.01 121.20 119.18 1xkj s ILE 156 Ca 0.70 -1.79 -0.16 0.00 -0.26 0.00 0.00 60.65 59.14 1xkj s ILE 156 Cb -0.40 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.64 1xkj s ILE 156 CO 0.31 -0.43 0.42 -0.55 0.24 0.00 0.00 174.94 174.93 1xkj s SER 157 N -2.56 6.69 -0.46 4.36 0.15 -1.26 -2.31 113.70 118.31 1xkj s SER 157 Ca 0.11 0.82 -0.10 0.00 0.70 0.00 0.00 55.95 57.48 1xkj s SER 157 Cb -0.04 -2.26 0.11 0.00 -1.71 0.00 0.00 66.02 62.12 1xkj s SER 157 CO 0.04 0.14 0.34 -0.69 1.20 0.00 0.00 173.24 174.26 1xkj s VAL 158 N -0.06 4.34 0.09 4.45 1.01 -0.06 -4.99 120.40 125.19 1xkj s VAL 158 Ca 0.23 -1.62 -0.12 0.00 0.00 0.00 0.00 61.98 60.47 1xkj s VAL 158 Cb -0.15 -3.78 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1xkj s VAL 158 CO 0.10 -0.70 0.46 0.20 0.00 0.00 0.00 175.10 175.16 1xkj s ASN 159 N 2.59 6.74 0.53 3.32 0.01 -1.26 -4.06 114.94 122.81 1xkj s ASN 159 Ca 0.05 0.93 -0.05 0.00 -0.71 0.00 0.00 52.86 53.07 1xkj s ASN 159 Cb -0.26 -2.23 -0.01 0.00 0.41 0.00 0.00 41.25 39.16 1xkj s ASN 159 CO 0.01 0.17 0.84 -2.16 -1.51 0.00 0.00 177.10 174.44 1xkj s PRO 160 N -1.80 3.24 0.64 -0.60 0.04 -1.26 -4.84 135.00 130.42 1xkj s PRO 160 Ca 0.33 0.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.30 1xkj s PRO 160 Cb -0.15 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 32.05 1xkj s PRO 160 CO 0.18 -0.44 1.11 -1.01 0.04 0.00 0.00 177.00 176.88 1xkj s HIS 161 N -2.85 2.66 0.64 0.56 3.76 -1.26 -4.79 115.29 114.00 1xkj s HIS 161 Ca 0.51 1.55 -0.18 0.00 -0.15 0.00 0.00 55.06 56.78 1xkj s HIS 161 Cb -0.10 -3.16 -0.02 0.00 1.11 0.00 0.00 32.58 30.40 1xkj s HIS 161 CO 0.45 -1.63 1.17 0.00 -0.85 0.00 0.00 174.74 173.88 1xkj n ALA 162 N -2.29 0.77 -0.09 -1.40 0.00 -1.26 -4.89 120.51 111.35 1xkj n ALA 162 Ca 0.10 -0.01 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 1xkj n ALA 162 Cb 0.52 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.60 1xkj n ALA 162 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1xkj h PHE 163 N 0.46 0.03 -3.52 0.00 3.04 -1.84 -3.46 116.94 111.65 1xkj h PHE 163 Ca -0.50 -0.02 -0.52 0.00 3.98 0.00 0.00 57.97 60.91 1xkj h PHE 163 Cb 1.35 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 1xkj h PHE 163 CO 0.39 1.34 0.44 0.99 -2.02 0.00 0.00 178.31 179.46 1xkj s THR 164 N -2.33 4.15 -0.05 4.41 2.01 -1.26 -4.96 115.64 117.61 1xkj s THR 164 Ca -0.25 1.78 -0.29 0.00 0.31 0.00 0.00 61.69 63.23 1xkj s THR 164 Cb 0.03 -4.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.33 1xkj s THR 164 CO 0.64 0.27 2.03 -0.70 -0.69 0.00 0.00 174.62 176.17 1xkj s GLU 165 N -0.04 3.83 0.00 4.92 2.56 -1.26 -0.64 118.70 128.06 1xkj s GLU 165 Ca 0.50 2.41 0.00 0.00 0.00 0.00 0.00 54.97 57.88 1xkj s GLU 165 Cb -0.27 -4.22 0.00 0.00 2.00 0.00 0.00 34.13 31.64 1xkj s GLU 165 CO 0.32 -1.31 0.00 0.41 -0.56 0.00 0.00 175.26 174.12 1xkj n GLY 166 N 4.91 0.81 0.06 -1.50 0.00 -1.26 -4.92 105.19 103.28 1xkj n GLY 166 Ca 0.23 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.37 -2.20 3.67 -0.02 0.00 0.18 -4.54 105.19 99.91 1xkj n GLY 167 Ca 0.00 -1.47 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.41 -0.28 -1.88 1.61 -0.04 -1.26 -4.78 135.00 125.96 1xkj n PRO 168 Ca -0.00 -0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 1xkj n PRO 168 Cb 0.03 -2.38 -0.01 0.00 -0.04 0.00 0.00 33.50 31.10 1xkj n PRO 168 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xkj s ALA 169 N -2.48 3.56 0.22 0.55 0.00 -1.26 -4.71 121.76 117.63 1xkj s ALA 169 Ca 0.68 1.49 0.10 0.00 0.00 0.00 0.00 51.96 54.24 1xkj s ALA 169 Cb -0.25 -3.58 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 1xkj s ALA 169 CO 0.56 -0.95 -0.14 -0.65 0.00 0.00 0.00 175.76 174.59 1xkj s GLN 170 N -1.93 1.88 0.05 0.00 -0.21 -1.26 0.02 119.66 118.21 1xkj s GLN 170 Ca 0.52 -1.46 -0.27 0.00 0.02 0.00 0.00 55.36 54.18 1xkj s GLN 170 Cb -0.45 -2.00 0.07 0.00 1.00 0.00 0.00 33.01 31.63 1xkj s GLN 170 CO 0.60 0.39 0.64 -0.59 -2.12 0.00 0.00 175.29 174.21 1xkj s PHE 171 N -1.94 -0.59 0.05 0.91 -0.71 -1.04 -4.52 117.98 110.13 1xkj s PHE 171 Ca 0.26 0.74 0.06 0.00 -1.04 0.00 0.00 56.93 56.94 1xkj s PHE 171 Cb -0.07 0.47 -0.02 0.00 -1.21 0.00 0.00 43.02 42.18 1xkj s PHE 171 CO 0.14 -0.72 -0.16 0.54 -1.34 0.00 0.00 175.22 173.69 1xkj s VAL 172 N -2.39 1.28 0.10 -2.49 0.11 -0.79 -1.00 120.40 115.22 1xkj s VAL 172 Ca -0.05 -1.13 -0.31 0.00 -2.93 0.00 0.00 61.98 57.56 1xkj s VAL 172 Cb -0.00 -1.15 -0.07 0.00 -1.53 0.00 0.00 36.38 33.62 1xkj s VAL 172 CO -0.01 0.01 1.29 0.20 -3.33 0.00 0.00 175.10 173.26 1xkj s ASN 173 N -1.29 6.96 -1.17 3.54 0.01 -0.83 -0.74 114.94 121.42 1xkj s ASN 173 Ca 0.03 2.18 -0.18 0.00 -0.71 0.00 0.00 52.86 54.18 1xkj s ASN 173 Cb -0.08 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.09 1xkj s ASN 173 CO 0.02 -0.54 1.52 0.00 -1.51 0.00 0.00 177.10 176.58 1xkj s ALA 174 N 0.95 3.37 -0.37 0.60 0.00 -0.68 -4.69 121.76 120.94 1xkj s ALA 174 Ca 0.61 -2.87 0.20 0.00 0.00 0.00 0.00 51.96 49.89 1xkj s ALA 174 Cb -0.33 -4.41 -0.27 0.00 0.00 0.00 0.00 23.12 18.11 1xkj s ALA 174 CO 0.31 -3.19 0.58 0.25 0.00 0.00 0.00 175.76 173.71 1xkj n THR 175 N 5.93 0.00 -3.74 0.00 -2.24 -1.26 -4.65 114.28 108.32 1xkj n THR 175 Ca 0.39 -0.29 -0.09 0.00 -2.27 0.00 0.00 64.05 61.78 1xkj n THR 175 Cb 0.47 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -3.71 -0.29 0.25 3.42 1.04 -1.26 -5.04 113.70 108.11 1xkj s SER 176 Ca -0.02 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 55.92 1xkj s SER 176 Cb 0.13 0.63 0.32 0.00 0.10 0.00 0.00 66.02 67.19 1xkj s SER 176 CO 0.81 -1.13 1.71 0.11 0.98 0.00 0.00 173.24 175.72 1xkj h LYS 177 N 2.12 0.68 -0.12 4.02 1.57 -1.99 -2.56 116.57 120.28 1xkj h LYS 177 Ca -0.27 -0.23 0.03 0.00 -1.87 0.00 0.00 60.65 58.31 1xkj h LYS 177 Cb 1.27 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1xkj h LYS 177 CO 0.33 0.80 -0.09 0.93 -0.57 0.00 0.00 179.45 180.85 1xkj h GLU 178 N 0.61 -0.10 -0.61 3.15 3.07 -1.99 -1.68 114.58 117.02 1xkj h GLU 178 Ca 0.10 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 58.87 1xkj h GLU 178 Cb 0.61 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1xkj h GLU 178 CO 0.04 -0.07 0.01 0.28 -1.40 0.00 0.00 179.01 177.87 1xkj h VAL 179 N -0.11 1.27 -0.83 3.13 2.07 -1.92 -1.95 116.25 117.91 1xkj h VAL 179 Ca 0.08 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1xkj h VAL 179 Cb 0.22 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1xkj h VAL 179 CO -0.18 0.42 0.40 0.58 0.02 0.00 0.00 177.57 178.81 1xkj h VAL 180 N 0.98 1.25 -0.22 2.57 2.07 -1.13 0.30 116.25 122.07 1xkj h VAL 180 Ca 0.18 -0.71 -0.19 0.00 0.82 0.00 0.00 66.70 66.80 1xkj h VAL 180 Cb 0.55 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1xkj h VAL 180 CO 0.03 0.30 -0.62 -0.08 0.02 0.00 0.00 177.57 177.22 1xkj h GLU 181 N 1.17 0.78 -0.34 1.57 4.81 -1.27 -0.79 114.58 120.51 1xkj h GLU 181 Ca 0.28 -0.53 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1xkj h GLU 181 Cb 0.11 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1xkj h GLU 181 CO -0.04 1.16 0.17 2.35 -0.73 0.00 0.00 179.01 181.92 1xkj h TRP 182 N 0.57 0.49 -0.61 0.92 7.01 -0.81 -1.92 115.95 121.60 1xkj h TRP 182 Ca -0.01 -0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.92 1xkj h TRP 182 Cb 1.22 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.11 1xkj h TRP 182 CO 0.07 0.42 0.19 0.00 -2.79 0.00 0.00 178.44 176.33 1xkj h ALA 183 N 1.02 0.80 -0.85 2.65 0.00 -0.33 -2.95 119.26 119.61 1xkj h ALA 183 Ca 0.12 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xkj h ALA 183 Cb 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1xkj h ALA 183 CO -0.02 0.47 0.56 0.00 0.00 0.00 0.00 179.25 180.27 1xkj h ALA 184 N 1.06 1.08 0.00 0.00 0.00 -0.93 -1.29 119.26 119.19 1xkj h ALA 184 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1xkj h ALA 184 Cb 0.29 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xkj h ALA 184 CO -0.01 0.47 0.00 0.87 0.00 0.00 0.00 179.25 180.58 1xkj h LYS 185 N 1.13 0.00 0.00 0.00 1.57 -1.18 -2.93 116.57 115.16 1xkj h LYS 185 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1xkj h LYS 185 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1xkj h LYS 185 CO -0.08 0.00 -1.16 1.28 -0.57 0.00 0.00 179.45 178.93 1xkj n LEU 186 N -2.83 0.61 -0.38 2.94 4.77 -0.81 -5.00 117.00 116.29 1xkj n LEU 186 Ca -0.00 -0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 55.60 1xkj n LEU 186 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1xkj n LEU 186 CO 0.22 0.15 -0.01 0.61 -1.33 0.00 0.00 177.39 177.04 1xkj n GLY 187 N 1.43 0.44 3.86 -0.72 0.00 -0.55 -5.04 105.19 104.61 1xkj n GLY 187 Ca 0.01 -0.75 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.85 4.40 0.41 0.99 1.43 -0.85 -5.01 118.68 119.20 1xkj s LEU 188 Ca 0.02 0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 53.47 1xkj s LEU 188 Cb -0.01 -2.20 -0.10 0.00 0.03 0.00 0.00 46.19 43.92 1xkj s LEU 188 CO 0.02 0.38 1.00 -2.16 0.23 0.00 0.00 176.35 175.81 1xkj s PRO 189 N -0.96 4.19 0.30 1.29 0.04 -1.26 -4.63 135.00 133.97 1xkj s PRO 189 Ca 0.17 1.34 0.06 0.00 0.04 0.00 0.00 61.00 62.61 1xkj s PRO 189 Cb -0.13 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.99 1xkj s PRO 189 CO 0.06 -0.09 0.38 -0.51 0.04 0.00 0.00 177.00 176.89 1xkj s LEU 190 N -2.85 4.01 -0.19 -3.56 1.43 -1.26 -1.88 118.68 114.38 1xkj s LEU 190 Ca 0.59 -0.16 0.01 0.00 -1.03 0.00 0.00 54.13 53.55 1xkj s LEU 190 Cb -0.17 -2.67 0.03 0.00 0.03 0.00 0.00 46.19 43.42 1xkj s LEU 190 CO 0.21 -0.27 -0.13 0.54 0.23 0.00 0.00 176.35 176.93 1xkj s VAL 191 N -2.13 1.76 0.03 -1.59 0.11 0.08 -0.06 120.40 118.61 1xkj s VAL 191 Ca 0.40 -0.96 -0.25 0.00 -2.93 0.00 0.00 61.98 58.24 1xkj s VAL 191 Cb -0.09 -1.74 -0.05 0.00 -1.53 0.00 0.00 36.38 32.97 1xkj s VAL 191 CO 0.29 0.30 0.76 -0.36 -3.33 0.00 0.00 175.10 172.77 1xkj s PHE 192 N 1.37 3.72 0.29 1.54 0.08 0.06 -1.69 117.98 123.33 1xkj s PHE 192 Ca 0.01 1.45 -0.28 0.00 0.12 0.00 0.00 56.93 58.23 1xkj s PHE 192 Cb -0.15 -2.83 -0.09 0.00 -0.57 0.00 0.00 43.02 39.38 1xkj s PHE 192 CO -0.10 0.24 0.99 1.03 -0.10 0.00 0.00 175.22 177.29 1xkj s ARG 193 N 0.07 4.67 0.50 0.44 0.52 -1.26 -2.04 118.95 121.85 1xkj s ARG 193 Ca 0.39 1.53 0.25 0.00 -0.52 0.00 0.00 55.73 57.38 1xkj s ARG 193 Cb -0.20 -3.07 1.33 0.00 0.52 0.00 0.00 34.95 33.52 1xkj s ARG 193 CO 0.23 0.32 2.03 0.11 0.02 0.00 0.00 175.30 178.01 1xkj h TRP 194 N 3.67 0.00 -0.36 -0.53 5.08 -1.95 -2.96 115.95 118.90 1xkj h TRP 194 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.51 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 0.60 0.15 0.00 -0.40 -1.28 0.00 0.00 178.44 177.51 1xkj n ASP 195 N -3.70 2.83 -4.76 0.11 5.75 -1.26 -4.86 116.55 110.66 1xkj n ASP 195 Ca -0.02 -2.24 -0.23 0.00 -0.01 0.00 0.00 54.79 52.30 1xkj n ASP 195 Cb 0.26 -0.42 -0.05 0.00 -1.03 0.00 0.00 41.12 39.87 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 -0.73 5.20 0.75 -1.12 1.01 -1.12 -5.06 116.67 115.59 1xkj s ASP 196 Ca 0.28 -0.37 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 1xkj s ASP 196 Cb 0.18 -1.22 0.04 0.00 1.01 0.00 0.00 42.92 42.93 1xkj s ASP 196 CO 0.14 -0.01 1.10 -0.94 0.21 0.00 0.00 175.17 175.67 1xkj s SER 197 N -3.70 5.04 0.24 0.27 1.04 -1.26 -4.89 113.70 110.44 1xkj s SER 197 Ca 0.32 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 57.88 1xkj s SER 197 Cb -0.08 -1.93 0.26 0.00 0.10 0.00 0.00 66.02 64.37 1xkj s SER 197 CO 0.23 -1.60 1.74 0.78 0.98 0.00 0.00 173.24 175.36 1xkj h ASN 198 N -0.84 0.87 -1.01 7.02 2.35 -1.97 -1.51 115.58 120.50 1xkj h ASN 198 Ca -0.46 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.12 1xkj h ASN 198 Cb 1.26 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 39.34 1xkj h ASN 198 CO 0.62 0.91 0.66 0.00 -1.65 0.00 0.00 177.43 177.97 1xkj h ALA 199 N 1.19 1.33 -0.06 -0.83 0.00 -1.96 0.35 119.26 119.28 1xkj h ALA 199 Ca 0.17 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1xkj h ALA 199 Cb 0.44 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xkj h ALA 199 CO 0.02 0.57 -0.13 0.37 0.00 0.00 0.00 179.25 180.08 1xkj h GLN 200 N 1.29 0.19 -0.41 0.00 5.75 -1.89 -0.76 115.11 119.27 1xkj h GLN 200 Ca 0.40 -0.13 -0.00 0.00 -0.15 0.00 0.00 58.65 58.76 1xkj h GLN 200 Cb -0.02 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.53 1xkj h GLN 200 CO -0.12 0.73 0.24 0.00 -2.65 0.00 0.00 178.83 177.03 1xkj h ARG 201 N -0.32 0.55 -0.42 1.69 3.08 -0.89 0.00 114.38 118.08 1xkj h ARG 201 Ca -0.00 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1xkj h ARG 201 Cb 0.73 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1xkj h ARG 201 CO 0.03 0.40 -0.23 -0.22 -1.07 0.00 0.00 179.97 178.88 1xkj h LYS 202 N 0.57 0.89 -0.71 0.04 3.64 -0.22 -1.42 116.57 119.35 1xkj h LYS 202 Ca 0.15 -0.40 -0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1xkj h LYS 202 Cb -0.01 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xkj h LYS 202 CO -0.03 1.05 0.30 1.49 -2.27 0.00 0.00 179.45 179.99 1xkj h GLU 203 N 0.71 1.05 -0.49 1.90 4.81 -0.29 -2.12 114.58 120.15 1xkj h GLU 203 Ca 0.09 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 59.05 1xkj h GLU 203 Cb 0.79 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1xkj h GLU 203 CO 0.07 0.85 -0.07 1.88 -0.73 0.00 0.00 179.01 181.00 1xkj h TYR 204 N 1.01 0.97 -0.37 0.92 0.05 -0.82 -2.16 116.97 116.56 1xkj h TYR 204 Ca 0.24 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 1xkj h TYR 204 Cb 0.18 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 1xkj h TYR 204 CO 0.01 0.91 -0.13 0.00 -1.05 0.00 0.00 178.16 177.91 1xkj h ALA 205 N 1.11 1.08 -0.08 3.88 0.00 -0.96 -2.20 119.26 122.09 1xkj h ALA 205 Ca 0.14 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1xkj h ALA 205 Cb 0.58 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xkj h ALA 205 CO 0.04 0.56 -0.20 0.78 0.00 0.00 0.00 179.25 180.43 1xkj h GLY 206 N 0.97 0.31 0.77 0.00 0.00 -1.23 -2.60 103.07 101.28 1xkj h GLY 206 Ca 0.10 -0.39 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1xkj h GLY 206 CO 0.04 0.35 0.45 -2.00 0.00 0.00 0.00 176.54 175.37 1xkj h LEU 207 N -0.19 0.70 -0.42 3.11 6.46 -1.39 -0.58 115.31 123.01 1xkj h LEU 207 Ca -0.00 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 1xkj h LEU 207 Cb 0.81 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1xkj h LEU 207 CO 0.04 0.47 0.27 0.22 -0.62 0.00 0.00 178.44 178.82 1xkj h TYR 208 N 0.84 0.55 -0.64 1.25 5.03 -1.41 -1.62 116.97 120.96 1xkj h TYR 208 Ca 0.31 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.61 1xkj h TYR 208 Cb 0.12 -0.18 -0.03 0.00 1.55 0.00 0.00 36.73 38.18 1xkj h TYR 208 CO -0.05 0.37 0.32 1.25 -1.32 0.00 0.00 178.16 178.72 1xkj h HIS 209 N 0.57 0.92 0.63 -3.82 2.76 -1.00 -1.13 115.15 114.08 1xkj h HIS 209 Ca 0.15 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1xkj h HIS 209 Cb -0.03 -0.29 0.01 0.00 1.55 0.00 0.00 27.41 28.65 1xkj h HIS 209 CO -0.04 0.68 -0.30 0.93 -1.30 0.00 0.00 177.93 177.90 1xkj h GLU 210 N 0.89 -0.82 -0.89 5.26 5.08 -0.76 -0.44 114.58 122.90 1xkj h GLU 210 Ca 0.22 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1xkj h GLU 210 Cb 0.10 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 1xkj h GLU 210 CO -0.03 -0.52 0.58 0.28 -1.00 0.00 0.00 179.01 178.33 1xkj h VAL 211 N -0.93 1.08 0.02 3.13 2.07 -1.31 -1.14 116.25 119.17 1xkj h VAL 211 Ca -0.09 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1xkj h VAL 211 Cb 0.68 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1xkj h VAL 211 CO 0.14 0.19 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 1xkj h ALA 212 N 1.51 -0.03 -0.43 1.67 0.00 -1.02 -2.41 119.26 118.55 1xkj h ALA 212 Ca 0.38 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.24 1xkj h ALA 212 Cb 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 1xkj h ALA 212 CO -0.14 -0.40 0.10 0.37 0.00 0.00 0.00 179.25 179.18 1xkj h GLN 213 N -0.25 0.23 -0.14 0.00 4.15 -0.61 -2.05 115.11 116.44 1xkj h GLN 213 Ca -0.00 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.33 1xkj h GLN 213 Cb 0.24 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1xkj h GLN 213 CO 0.00 0.15 -0.24 0.00 -1.93 0.00 0.00 178.83 176.82 1xkj h ALA 214 N 1.32 1.33 -0.44 3.38 0.00 -1.17 -2.80 119.26 120.88 1xkj h ALA 214 Ca 0.21 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xkj h ALA 214 Cb 0.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xkj h ALA 214 CO -0.26 0.46 0.00 0.72 0.00 0.00 0.00 179.25 180.17 1xkj n HIS 215 N -4.17 0.72 -2.39 0.00 8.25 -0.91 -4.90 115.22 111.83 1xkj n HIS 215 Ca -0.01 -0.33 -0.17 0.00 -0.26 0.00 0.00 57.72 56.95 1xkj n HIS 215 Cb 0.36 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.08 -0.32 3.76 -1.41 0.00 -1.06 -4.98 105.19 102.27 1xkj n GLY 216 Ca 0.16 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.86 4.87 -0.71 1.61 1.01 -0.79 -5.02 120.40 118.51 1xkj s VAL 217 Ca 0.03 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.09 1xkj s VAL 217 Cb -0.01 -3.95 0.09 0.00 0.00 0.00 0.00 36.38 32.51 1xkj s VAL 217 CO 0.04 0.42 0.95 -0.62 0.00 0.00 0.00 175.10 175.89 1xkj s ASP 218 N -0.24 6.28 -0.63 3.32 2.15 -1.26 -4.57 116.67 121.72 1xkj s ASP 218 Ca 0.32 -1.33 -0.01 0.00 0.43 0.00 0.00 52.55 51.96 1xkj s ASP 218 Cb -0.19 -2.39 0.44 0.00 -0.30 0.00 0.00 42.92 40.49 1xkj s ASP 218 CO 0.18 -1.29 1.90 1.33 -0.17 0.00 0.00 175.17 177.12 1xkj n VAL 219 N 5.74 3.46 0.08 1.11 0.24 -1.26 -4.60 118.33 123.10 1xkj n VAL 219 Ca 0.01 -3.28 -0.21 0.00 -2.04 0.00 0.00 64.34 58.82 1xkj n VAL 219 Cb 0.46 -1.17 -0.15 0.00 -1.47 0.00 0.00 33.84 31.51 1xkj n VAL 219 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1xkj h SER 220 N 2.13 0.58 -0.65 -1.34 4.64 -2.01 -3.34 113.55 113.56 1xkj h SER 220 Ca 0.57 -0.81 -0.23 0.00 -0.47 0.00 0.00 61.79 60.85 1xkj h SER 220 Cb 0.84 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 62.60 1xkj h SER 220 CO 1.45 1.67 0.29 0.00 -0.87 0.00 0.00 176.83 179.38 1xkj n GLN 221 N -3.56 2.94 -3.56 4.77 6.02 -1.26 -4.89 117.38 117.83 1xkj n GLN 221 Ca -0.21 -2.45 -0.40 0.00 -0.01 0.00 0.00 57.00 53.93 1xkj n GLN 221 Cb 1.07 -2.02 -0.11 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.53 5.05 -0.40 5.09 1.01 -1.26 -5.06 120.40 122.31 1xkj s VAL 222 Ca 0.45 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.91 1xkj s VAL 222 Cb 0.36 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 33.12 1xkj s VAL 222 CO 0.10 -0.05 0.27 -0.13 0.00 0.00 0.00 175.10 175.29 1xkj s ARG 223 N 1.67 2.95 0.49 2.72 0.52 -1.26 -4.98 118.95 121.05 1xkj s ARG 223 Ca 0.05 -1.02 -0.18 0.00 -0.52 0.00 0.00 55.73 54.06 1xkj s ARG 223 Cb -0.18 -3.90 -0.09 0.00 0.52 0.00 0.00 34.95 31.31 1xkj s ARG 223 CO 0.09 -0.72 0.97 -1.01 0.02 0.00 0.00 175.30 174.65 1xkj s HIS 224 N 1.64 3.40 0.13 -0.53 3.76 -1.26 -4.70 115.29 117.73 1xkj s HIS 224 Ca 0.04 1.52 0.05 0.00 -0.15 0.00 0.00 55.06 56.52 1xkj s HIS 224 Cb -0.19 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.65 1xkj s HIS 224 CO 0.09 -0.28 0.05 0.15 -0.85 0.00 0.00 174.74 173.89 1xkj s LYS 225 N -3.77 2.64 -0.04 1.40 3.01 0.92 -1.98 119.74 121.92 1xkj s LYS 225 Ca 0.60 -0.90 0.02 0.00 -1.01 0.00 0.00 55.97 54.68 1xkj s LYS 225 Cb -0.10 -2.54 0.01 0.00 -1.01 0.00 0.00 37.83 34.19 1xkj s LYS 225 CO 0.25 0.50 -0.10 -1.17 0.51 0.00 0.00 175.35 175.34 1xkj s LEU 226 N -2.71 1.69 -0.11 3.17 2.96 -0.67 -0.76 118.68 122.25 1xkj s LEU 226 Ca 0.28 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.93 1xkj s LEU 226 Cb -0.11 -0.67 -0.03 0.00 0.50 0.00 0.00 46.19 45.88 1xkj s LEU 226 CO 0.20 0.05 -0.01 0.42 -1.32 0.00 0.00 176.35 175.69 1xkj s THR 227 N 0.43 4.22 0.03 3.68 -4.23 -0.87 -0.21 115.64 118.70 1xkj s THR 227 Ca -0.08 -0.27 0.01 0.00 -1.18 0.00 0.00 61.69 60.17 1xkj s THR 227 Cb -0.12 -2.80 -0.02 0.00 1.34 0.00 0.00 72.50 70.90 1xkj s THR 227 CO 0.02 0.57 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.86 1xkj s LEU 228 N -0.49 2.27 -0.08 4.79 1.43 -0.22 -3.08 118.68 123.30 1xkj s LEU 228 Ca 0.08 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1xkj s LEU 228 Cb -0.12 0.01 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 1xkj s LEU 228 CO 0.02 -0.29 0.34 -0.76 0.23 0.00 0.00 176.35 175.89 1xkj s LEU 229 N -1.62 4.36 -0.15 1.79 1.43 -1.26 -1.85 118.68 121.39 1xkj s LEU 229 Ca -0.12 0.73 0.02 0.00 -1.03 0.00 0.00 54.13 53.72 1xkj s LEU 229 Cb -0.09 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.68 1xkj s LEU 229 CO -0.01 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 175.91 1xkj s VAL 230 N -0.37 2.29 -0.29 -1.59 1.01 -0.25 -1.33 120.40 119.87 1xkj s VAL 230 Ca 0.20 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1xkj s VAL 230 Cb -0.15 -1.94 0.12 0.00 0.00 0.00 0.00 36.38 34.42 1xkj s VAL 230 CO 0.09 0.54 0.21 0.21 0.00 0.00 0.00 175.10 176.15 1xkj s ASN 231 N 0.84 2.55 -0.11 3.32 3.04 -0.92 -4.46 114.94 119.20 1xkj s ASN 231 Ca -0.06 -0.99 -0.03 0.00 0.04 0.00 0.00 52.86 51.82 1xkj s ASN 231 Cb -0.15 0.10 -0.03 0.00 -1.54 0.00 0.00 41.25 39.62 1xkj s ASN 231 CO -0.02 -0.41 -0.01 -1.10 -3.04 0.00 0.00 177.10 172.52 1xkj s GLN 232 N 2.24 3.26 -0.16 0.43 -0.21 -1.26 -1.55 119.66 122.41 1xkj s GLN 232 Ca 0.09 -0.45 -0.17 0.00 0.02 0.00 0.00 55.36 54.85 1xkj s GLN 232 Cb -0.15 -2.85 0.05 0.00 1.00 0.00 0.00 33.01 31.06 1xkj s GLN 232 CO -0.34 0.52 0.47 1.21 -2.12 0.00 0.00 175.29 175.03 1xkj s ASN 233 N -0.38 -0.47 0.60 5.90 3.84 -0.70 -4.98 114.94 118.73 1xkj s ASN 233 Ca 0.07 0.86 0.29 0.00 0.21 0.00 0.00 52.86 54.29 1xkj s ASN 233 Cb -0.12 0.88 1.47 0.00 -0.55 0.00 0.00 41.25 42.93 1xkj s ASN 233 CO 0.02 -0.21 1.88 1.62 -2.79 0.00 0.00 177.10 177.62 1xkj h VAL 234 N 4.27 0.33 -3.68 -5.21 3.04 -1.96 -3.31 116.25 109.73 1xkj h VAL 234 Ca -0.27 0.00 -0.69 0.00 -1.01 0.00 0.00 66.70 64.72 1xkj h VAL 234 Cb 1.18 0.60 -0.29 0.00 -2.01 0.00 0.00 31.29 30.77 1xkj h VAL 234 CO 0.24 0.00 -0.61 -0.62 -1.01 0.00 0.00 177.57 175.56 1xkj s ASP 235 N -5.12 5.29 0.65 3.17 2.15 -1.26 -4.88 116.67 116.68 1xkj s ASP 235 Ca -0.04 -1.13 0.41 0.00 0.43 0.00 0.00 52.55 52.22 1xkj s ASP 235 Cb 0.15 -1.86 2.24 0.00 -0.30 0.00 0.00 42.92 43.15 1xkj s ASP 235 CO 0.53 -0.32 2.30 1.23 -0.17 0.00 0.00 175.17 178.74 1xkj h GLY 236 N 8.21 0.00 1.31 2.66 0.00 -1.86 -1.76 103.07 111.63 1xkj h GLY 236 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.89 1xkj h GLY 236 CO 0.60 0.00 -1.30 -2.09 0.00 0.00 0.00 176.54 173.75 1xkj h GLU 237 N 0.00 0.00 -0.06 4.80 4.57 -1.94 -3.20 114.58 118.75 1xkj h GLU 237 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1xkj h GLU 237 Cb 0.09 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1xkj h GLU 237 CO -0.00 0.51 0.01 0.00 -1.18 0.00 0.00 179.01 178.34 1xkj h ALA 238 N 1.23 0.09 -0.28 2.92 0.00 -1.71 -1.80 119.26 119.71 1xkj h ALA 238 Ca -0.15 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1xkj h ALA 238 Cb 1.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.47 1xkj h ALA 238 CO 0.07 -0.26 0.17 0.00 0.00 0.00 0.00 179.25 179.23 1xkj h ALA 239 N 0.75 0.34 -0.02 0.00 0.00 -1.65 -1.36 119.26 117.33 1xkj h ALA 239 Ca 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1xkj h ALA 239 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xkj h ALA 239 CO 0.00 -0.21 -0.18 0.00 0.00 0.00 0.00 179.25 178.87 1xkj h ARG 240 N 0.35 0.04 0.09 0.00 3.08 -1.54 -1.60 114.38 114.80 1xkj h ARG 240 Ca 0.11 -0.01 -0.29 0.00 0.07 0.00 0.00 59.98 59.86 1xkj h ARG 240 Cb -0.02 -0.01 0.03 0.00 0.08 0.00 0.00 29.97 30.05 1xkj h ARG 240 CO -0.04 0.22 -1.20 0.00 -1.07 0.00 0.00 179.97 177.88 1xkj h ALA 241 N 1.78 0.04 -0.38 0.04 0.00 -1.03 -2.34 119.26 117.38 1xkj h ALA 241 Ca 0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 54.10 1xkj h ALA 241 Cb 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1xkj h ALA 241 CO 0.02 0.70 0.03 1.49 0.00 0.00 0.00 179.25 181.49 1xkj h GLU 242 N 0.30 0.65 -0.19 0.00 4.81 -1.05 -2.65 114.58 116.44 1xkj h GLU 242 Ca -0.17 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 58.78 1xkj h GLU 242 Cb 1.86 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 31.17 1xkj h GLU 242 CO 0.23 0.73 -0.24 0.00 -0.73 0.00 0.00 179.01 179.00 1xkj h ALA 243 N 0.89 1.24 -0.32 2.92 0.00 -1.39 -2.72 119.26 119.89 1xkj h ALA 243 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xkj h ALA 243 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xkj h ALA 243 CO 0.01 0.50 0.15 -0.09 0.00 0.00 0.00 179.25 179.82 1xkj h ARG 244 N 0.31 0.43 0.02 0.00 2.43 -1.06 -0.40 114.38 116.12 1xkj h ARG 244 Ca 0.05 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1xkj h ARG 244 Cb 0.60 -0.09 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1xkj h ARG 244 CO 0.04 0.34 -1.00 0.28 -1.51 0.00 0.00 179.97 178.13 1xkj h VAL 245 N 0.44 1.30 -0.62 0.20 2.07 -1.34 -0.57 116.25 117.73 1xkj h VAL 245 Ca 0.11 -2.24 0.01 0.00 0.82 0.00 0.00 66.70 65.40 1xkj h VAL 245 Cb 0.05 2.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1xkj h VAL 245 CO -0.02 0.69 0.41 0.22 0.02 0.00 0.00 177.57 178.89 1xkj h TYR 246 N 0.29 0.77 0.10 1.57 3.20 -1.06 -3.27 116.97 118.56 1xkj h TYR 246 Ca -0.13 0.02 -0.28 0.00 3.14 0.00 0.00 58.73 61.48 1xkj h TYR 246 Cb 1.66 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.66 1xkj h TYR 246 CO 0.11 0.48 -1.37 -0.07 -1.64 0.00 0.00 178.16 175.67 1xkj h LEU 247 N 0.82 0.31 -0.64 2.82 -0.00 -1.12 -3.40 115.31 114.10 1xkj h LEU 247 Ca 0.23 -0.39 0.08 0.00 -0.00 0.00 0.00 57.88 57.80 1xkj h LEU 247 Cb -0.08 -0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 40.39 1xkj h LEU 247 CO -0.06 1.32 -0.31 1.21 -0.00 0.00 0.00 178.44 180.60 1xkj n GLU 248 N -3.43 -0.21 -0.18 1.13 2.13 -0.23 -0.50 120.64 119.35 1xkj n GLU 248 Ca -0.11 0.98 -0.08 0.00 0.66 0.00 0.00 57.16 58.61 1xkj n GLU 248 Cb 1.02 -1.45 0.01 0.00 0.27 0.00 0.00 31.44 31.29 1xkj n GLU 248 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xkj h GLU 249 N 0.00 0.75 -0.13 5.31 4.81 -1.79 -2.66 114.58 120.88 1xkj h GLU 249 Ca 0.17 -0.14 0.02 0.00 -0.13 0.00 0.00 59.36 59.28 1xkj h GLU 249 Cb 0.33 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1xkj h GLU 249 CO -0.62 0.67 -0.01 0.35 -0.73 0.00 0.00 179.01 178.67 1xkj h PHE 250 N 0.68 -0.02 -0.44 0.92 3.57 -1.04 -1.60 116.94 119.00 1xkj h PHE 250 Ca 0.17 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.76 1xkj h PHE 250 Cb 0.19 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1xkj h PHE 250 CO 0.00 -0.03 0.30 0.28 -2.23 0.00 0.00 178.31 176.64 1xkj h VAL 251 N 0.03 0.91 0.18 1.41 2.07 -0.91 -0.73 116.25 119.22 1xkj h VAL 251 Ca 0.06 -0.09 -0.31 0.00 0.82 0.00 0.00 66.70 67.18 1xkj h VAL 251 Cb 0.08 0.62 0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1xkj h VAL 251 CO -0.11 0.05 -1.43 0.03 0.02 0.00 0.00 177.57 176.13 1xkj h ARG 252 N 0.26 0.39 -0.16 1.57 3.08 -1.11 -2.13 114.38 116.29 1xkj h ARG 252 Ca 0.20 -0.67 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 1xkj h ARG 252 Cb 0.45 0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.75 1xkj h ARG 252 CO -0.04 1.30 -0.12 1.49 -1.07 0.00 0.00 179.97 181.53 1xkj h GLU 253 N 0.11 0.36 0.00 0.04 4.81 -0.96 -3.22 114.58 115.72 1xkj h GLU 253 Ca -0.22 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1xkj h GLU 253 Cb 2.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.45 1xkj h GLU 253 CO 0.23 0.72 -0.28 0.77 -0.73 0.00 0.00 179.01 179.71 1xkj h SER 254 N 0.01 0.00 -0.38 1.04 0.02 -1.27 -3.39 113.55 109.58 1xkj h SER 254 Ca 0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 1xkj h SER 254 Cb 0.64 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.06 1xkj h SER 254 CO 0.03 0.47 0.26 -1.22 -1.14 0.00 0.00 176.83 175.23 1xkj n TYR 255 N -3.83 1.18 0.00 3.45 4.02 -0.81 -4.97 117.16 116.20 1xkj n TYR 255 Ca -0.04 -1.09 0.00 0.00 -0.01 0.00 0.00 57.90 56.76 1xkj n TYR 255 Cb 0.15 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 38.92 1xkj n TYR 255 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1xkj n SER 256 N -0.06 0.00 -3.97 7.72 3.41 -1.14 -2.06 113.62 117.52 1xkj n SER 256 Ca 0.23 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.53 1xkj n SER 256 Cb 0.91 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.74 1xkj n SER 256 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1xkj s ASN 257 N -0.21 4.81 -0.57 4.04 2.47 -1.26 -4.35 114.94 119.87 1xkj s ASN 257 Ca 0.00 -3.36 0.01 0.00 0.42 0.00 0.00 52.86 49.93 1xkj s ASN 257 Cb 0.00 -1.70 0.44 0.00 -1.45 0.00 0.00 41.25 38.54 1xkj s ASN 257 CO 0.00 -0.20 1.76 0.41 -3.72 0.00 0.00 177.10 175.36 1xkj n THR 258 N 2.69 3.27 -1.98 -5.21 -1.04 -0.87 -4.75 114.28 106.39 1xkj n THR 258 Ca 0.12 -3.48 -0.01 0.00 -2.04 0.00 0.00 64.05 58.64 1xkj n THR 258 Cb 0.34 -1.16 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 -0.81 -4.30 -0.37 8.00 2.03 -1.26 -4.53 116.55 115.31 1xkj n ASP 259 Ca 0.56 0.42 0.29 0.00 0.52 0.00 0.00 54.79 56.57 1xkj n ASP 259 Cb 0.71 -2.67 0.57 0.00 -0.72 0.00 0.00 41.12 39.02 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 1.01 0.57 0.00 -0.67 3.04 -1.85 -1.09 116.94 117.95 1xkj h PHE 260 Ca 0.00 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.91 1xkj h PHE 260 Cb 0.15 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1xkj h PHE 260 CO 0.02 -0.04 -0.29 0.93 -2.02 0.00 0.00 178.31 176.91 1xkj h GLU 261 N 0.26 0.00 0.21 1.11 4.39 -1.95 -1.97 114.58 116.63 1xkj h GLU 261 Ca 0.67 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 60.06 1xkj h GLU 261 Cb 1.93 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 30.61 1xkj h GLU 261 CO -0.32 0.29 -1.45 1.96 -1.16 0.00 0.00 179.01 178.33 1xkj h GLN 262 N 0.00 0.44 -0.12 2.33 1.08 -1.49 -2.76 115.11 114.59 1xkj h GLN 262 Ca -0.00 -0.76 -0.01 0.00 -1.45 0.00 0.00 58.65 56.43 1xkj h GLN 262 Cb 0.91 0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1xkj h GLN 262 CO 0.04 1.36 0.02 -0.22 -0.95 0.00 0.00 178.83 179.08 1xkj h LYS 263 N 0.02 0.19 -0.58 1.46 1.63 -1.50 -2.42 116.57 115.37 1xkj h LYS 263 Ca -0.27 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.53 1xkj h LYS 263 Cb 2.04 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 33.60 1xkj h LYS 263 CO 0.21 0.39 0.30 1.98 -3.45 0.00 0.00 179.45 178.88 1xkj h MET 264 N -0.04 0.56 -0.57 1.90 4.05 -1.46 -0.67 114.93 118.69 1xkj h MET 264 Ca 0.04 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.46 1xkj h MET 264 Cb 0.29 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.92 1xkj h MET 264 CO 0.00 0.37 0.32 0.78 0.23 0.00 0.00 176.91 178.61 1xkj h GLY 265 N 0.57 0.82 0.93 1.39 0.00 -1.39 -1.40 103.07 104.00 1xkj h GLY 265 Ca 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 1xkj h GLY 265 CO -0.17 0.17 -0.13 -2.09 0.00 0.00 0.00 176.54 174.32 1xkj h GLU 266 N 0.62 -0.34 -0.85 4.80 4.81 -0.88 -0.47 114.58 122.28 1xkj h GLU 266 Ca 0.25 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.59 1xkj h GLU 266 Cb 0.10 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 29.49 1xkj h GLU 266 CO -0.14 -0.17 0.50 -0.07 -0.73 0.00 0.00 179.01 178.40 1xkj h LEU 267 N -0.43 0.74 -0.56 1.64 3.38 -0.88 0.33 115.31 119.53 1xkj h LEU 267 Ca -0.04 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xkj h LEU 267 Cb 0.32 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xkj h LEU 267 CO 0.06 0.43 -0.26 -0.07 0.09 0.00 0.00 178.44 178.69 1xkj h LEU 268 N 0.85 0.00 0.00 1.67 3.38 -1.07 -2.66 115.31 117.48 1xkj h LEU 268 Ca 0.40 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.16 1xkj h LEU 268 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1xkj h LEU 268 CO -0.23 0.26 -1.91 -1.54 0.09 0.00 0.00 178.44 175.10 1xkj n SER 269 N -3.26 0.37 0.03 -0.43 3.41 -0.20 -4.46 113.62 109.07 1xkj n SER 269 Ca 0.01 0.16 -0.06 0.00 -0.26 0.00 0.00 58.87 58.73 1xkj n SER 269 Cb 0.54 0.84 -0.11 0.00 -0.26 0.00 0.00 64.21 65.22 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 -7.62 4.33 5.08 -0.44 -3.47 114.58 112.46 1xkj h GLU 270 Ca -0.28 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.61 1xkj h GLU 270 Cb 1.73 0.00 0.10 0.00 0.50 0.00 0.00 28.75 31.08 1xkj h GLU 270 CO 0.03 0.63 0.41 -0.80 -1.00 0.00 0.00 179.01 178.28 1xkj s ASN 271 N -6.28 4.48 -1.45 1.42 0.01 -1.00 -4.75 114.94 107.37 1xkj s ASN 271 Ca -0.02 0.77 -0.14 0.00 -0.71 0.00 0.00 52.86 52.76 1xkj s ASN 271 Cb 0.09 -1.25 0.05 0.00 0.41 0.00 0.00 41.25 40.54 1xkj s ASN 271 CO 0.81 -1.92 2.21 0.00 -1.51 0.00 0.00 177.10 176.69 1xkj n ALA 272 N -3.32 5.49 -3.31 0.60 0.00 -0.44 -4.78 120.51 114.75 1xkj n ALA 272 Ca 0.08 -3.89 -0.30 0.00 0.00 0.00 0.00 53.44 49.32 1xkj n ALA 272 Cb 0.61 -3.52 -0.17 0.00 0.00 0.00 0.00 19.45 16.37 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 3.13 1.83 -4.93 0.00 1.01 -1.26 -2.16 121.20 118.82 1xkj s ILE 273 Ca 0.47 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1xkj s ILE 273 Cb 0.14 -1.60 0.00 0.00 0.01 0.00 0.00 42.46 41.00 1xkj s ILE 273 CO -0.08 0.51 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1xkj n GLY 274 N 3.63 0.49 3.77 6.18 0.00 -0.60 -4.31 105.19 114.36 1xkj n GLY 274 Ca -0.20 -1.43 -0.29 0.00 0.00 0.00 0.00 46.02 44.10 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 -4.00 1.89 0.38 2.61 -4.23 -1.25 -1.72 115.64 109.33 1xkj s THR 275 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 61.69 60.63 1xkj s THR 275 Cb 0.00 -2.75 0.34 0.00 1.34 0.00 0.00 72.50 71.44 1xkj s THR 275 CO 0.00 0.00 1.87 0.22 -0.54 0.00 0.00 174.62 176.17 1xkj h TYR 276 N -1.84 0.69 0.04 3.99 5.03 -1.92 0.40 116.97 123.36 1xkj h TYR 276 Ca -0.47 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 60.75 1xkj h TYR 276 Cb 1.29 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 39.37 1xkj h TYR 276 CO -0.78 0.23 -0.46 0.93 -1.32 0.00 0.00 178.16 176.76 1xkj h GLU 277 N 0.56 0.24 0.13 1.82 3.07 -1.97 0.02 114.58 118.45 1xkj h GLU 277 Ca 0.45 -0.31 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1xkj h GLU 277 Cb 0.88 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 1xkj h GLU 277 CO -0.19 1.07 -0.10 0.93 -1.40 0.00 0.00 179.01 179.32 1xkj h GLU 278 N -0.44 -0.23 -0.49 2.33 5.08 -1.85 -0.70 114.58 118.27 1xkj h GLU 278 Ca -0.07 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1xkj h GLU 278 Cb 1.26 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 30.47 1xkj h GLU 278 CO 0.09 -0.15 -0.11 1.03 -1.00 0.00 0.00 179.01 178.86 1xkj h SER 279 N -0.24 -0.43 -0.33 1.42 0.87 -0.90 -1.72 113.55 112.22 1xkj h SER 279 Ca -0.00 0.14 -0.15 0.00 -1.23 0.00 0.00 61.79 60.55 1xkj h SER 279 Cb 0.22 0.30 -0.00 0.00 -0.44 0.00 0.00 62.40 62.47 1xkj h SER 279 CO -0.01 -0.15 -0.36 0.74 -0.53 0.00 0.00 176.83 176.51 1xkj h THR 280 N 0.01 1.29 -0.80 2.23 2.02 -0.70 -2.74 112.91 114.22 1xkj h THR 280 Ca 0.24 -1.54 0.01 0.00 0.77 0.00 0.00 66.41 65.89 1xkj h THR 280 Cb 0.36 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 1xkj h THR 280 CO -0.50 0.50 0.53 -0.61 0.37 0.00 0.00 175.52 175.81 1xkj h GLN 281 N 0.61 1.06 -0.88 6.66 5.75 -0.81 -1.79 115.11 125.71 1xkj h GLN 281 Ca 0.05 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1xkj h GLN 281 Cb 0.95 -0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.22 1xkj h GLN 281 CO 0.09 0.70 0.52 0.00 -2.65 0.00 0.00 178.83 177.49 1xkj h ALA 282 N 1.29 1.26 -0.34 3.38 0.00 -1.30 -1.45 119.26 122.10 1xkj h ALA 282 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1xkj h ALA 282 Cb -0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.30 1xkj h ALA 282 CO -0.06 0.63 0.07 0.00 0.00 0.00 0.00 179.25 179.88 1xkj h ALA 283 N 1.35 0.45 -0.40 0.00 0.00 -1.05 -2.66 119.26 116.95 1xkj h ALA 283 Ca 0.32 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1xkj h ALA 283 Cb -0.03 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xkj h ALA 283 CO -0.06 0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.50 1xkj h ARG 284 N 0.39 0.36 -0.97 0.00 3.08 -0.76 -2.01 114.38 114.47 1xkj h ARG 284 Ca 0.10 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.15 1xkj h ARG 284 Cb 0.33 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1xkj h ARG 284 CO 0.00 0.23 0.64 0.28 -1.07 0.00 0.00 179.97 180.06 1xkj h VAL 285 N 0.37 1.23 -0.45 2.04 2.07 -1.24 -1.78 116.25 118.49 1xkj h VAL 285 Ca 0.18 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1xkj h VAL 285 Cb 0.11 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.69 1xkj h VAL 285 CO -0.14 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.73 1xkj h ALA 286 N 1.41 0.60 -0.56 1.67 0.00 -1.07 -1.70 119.26 119.62 1xkj h ALA 286 Ca 0.36 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1xkj h ALA 286 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xkj h ALA 286 CO -0.09 0.35 0.04 0.82 0.00 0.00 0.00 179.25 180.37 1xkj h ILE 287 N 0.62 1.26 -0.62 0.00 2.04 -1.16 -2.96 117.51 116.69 1xkj h ILE 287 Ca 0.13 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 64.94 1xkj h ILE 287 Cb 0.42 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 1xkj h ILE 287 CO 0.01 0.38 0.39 -0.33 0.00 0.00 0.00 178.15 178.60 1xkj h GLU 288 N 0.84 0.82 0.00 2.37 5.08 -1.09 -0.46 114.58 122.14 1xkj h GLU 288 Ca 0.16 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1xkj h GLU 288 Cb 0.49 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xkj h GLU 288 CO 0.02 0.57 -0.07 0.00 -1.00 0.00 0.00 179.01 178.53 1xkj n GLY 291 N 0.52 1.10 3.74 0.00 0.00 -0.21 -4.83 105.19 105.51 1xkj n GLY 291 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.38 3.55 -0.12 4.61 0.00 -1.25 -4.68 121.76 121.48 1xkj s ALA 292 Ca 0.00 1.16 0.22 0.00 0.00 0.00 0.00 51.96 53.34 1xkj s ALA 292 Cb 0.00 -3.50 -0.19 0.00 0.00 0.00 0.00 23.12 19.44 1xkj s ALA 292 CO 0.00 -0.58 0.73 0.00 0.00 0.00 0.00 175.76 175.91 1xkj n ALA 293 N 2.51 2.67 -2.37 0.00 0.00 -0.84 -4.93 120.51 117.55 1xkj n ALA 293 Ca 0.06 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 1xkj n ALA 293 Cb 0.42 -0.91 -0.16 0.00 0.00 0.00 0.00 19.45 18.81 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 -4.91 2.79 -0.17 0.00 1.01 -1.06 -3.60 116.67 110.73 1xkj s ASP 294 Ca -0.05 -0.44 0.01 0.00 0.71 0.00 0.00 52.55 52.78 1xkj s ASP 294 Cb 0.12 -0.30 0.02 0.00 1.01 0.00 0.00 42.92 43.76 1xkj s ASP 294 CO 0.86 0.28 -0.20 -0.22 0.21 0.00 0.00 175.17 176.10 1xkj s LEU 295 N -0.64 2.15 -0.19 1.23 2.96 -0.44 -1.67 118.68 122.08 1xkj s LEU 295 Ca 0.09 -0.63 -0.06 0.00 -0.22 0.00 0.00 54.13 53.32 1xkj s LEU 295 Cb -0.09 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1xkj s LEU 295 CO -0.01 0.03 0.03 -0.76 -1.32 0.00 0.00 176.35 174.32 1xkj s LEU 296 N 1.14 3.49 0.05 -0.68 1.43 0.71 -1.63 118.68 123.19 1xkj s LEU 296 Ca 0.01 -0.09 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 1xkj s LEU 296 Cb -0.14 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 1xkj s LEU 296 CO -0.09 0.11 -0.25 -0.04 0.23 0.00 0.00 176.35 176.31 1xkj s MET 297 N 0.75 1.85 -0.18 1.70 -1.94 -0.31 -1.05 119.30 120.11 1xkj s MET 297 Ca 0.02 -1.09 -0.02 0.00 -1.71 0.00 0.00 55.69 52.89 1xkj s MET 297 Cb -0.14 -2.02 -0.00 0.00 2.01 0.00 0.00 34.83 34.67 1xkj s MET 297 CO 0.02 0.52 -0.10 0.45 -0.01 0.00 0.00 175.02 175.89 1xkj s SER 298 N -1.32 3.95 0.00 3.03 0.15 -0.77 -1.61 113.70 117.14 1xkj s SER 298 Ca 0.12 -0.43 0.17 0.00 0.70 0.00 0.00 55.95 56.52 1xkj s SER 298 Cb -0.10 -1.64 0.44 0.00 -1.71 0.00 0.00 66.02 63.01 1xkj s SER 298 CO 0.03 0.04 1.36 0.49 1.20 0.00 0.00 173.24 176.36 1xkj n PHE 299 N 4.38 0.64 -0.18 3.44 3.01 -1.26 -1.09 117.46 126.40 1xkj n PHE 299 Ca -0.19 -0.43 0.11 0.00 1.01 0.00 0.00 57.45 57.95 1xkj n PHE 299 Cb 0.51 -0.01 0.42 0.00 -0.01 0.00 0.00 39.48 40.39 1xkj n PHE 299 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1xkj h GLU 300 N 3.33 0.58 0.00 -1.08 5.08 -1.91 -3.02 114.58 117.56 1xkj h GLU 300 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1xkj h GLU 300 Cb 0.86 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1xkj h GLU 300 CO 0.00 0.38 0.04 0.66 -1.00 0.00 0.00 179.01 179.09 1xkj h SER 301 N 0.59 0.00 -2.80 1.42 4.64 -1.85 -3.39 113.55 112.17 1xkj h SER 301 Ca 0.35 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 61.06 1xkj h SER 301 Cb 0.54 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.51 1xkj h SER 301 CO -0.12 0.00 0.65 -0.04 -0.87 0.00 0.00 176.83 176.45 1xkj s MET 302 N -3.85 3.21 0.28 4.77 -1.94 -1.14 -4.69 119.30 115.93 1xkj s MET 302 Ca -0.04 -0.51 -0.02 0.00 -1.71 0.00 0.00 55.69 53.41 1xkj s MET 302 Cb 0.09 -4.16 0.38 0.00 2.01 0.00 0.00 34.83 33.16 1xkj s MET 302 CO 0.30 -1.76 1.84 0.93 -0.01 0.00 0.00 175.02 176.32 1xkj h GLU 303 N 9.56 0.90 -6.41 2.03 4.39 -1.91 -3.41 114.58 119.74 1xkj h GLU 303 Ca -0.28 -0.16 -0.57 0.00 0.34 0.00 0.00 59.36 58.69 1xkj h GLU 303 Cb 1.07 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.53 1xkj h GLU 303 CO 1.17 0.76 1.15 0.34 -1.16 0.00 0.00 179.01 181.27 1xkj s ASP 304 N -6.52 6.18 0.57 1.42 2.15 -1.26 -4.89 116.67 114.33 1xkj s ASP 304 Ca -0.10 1.07 0.29 0.00 0.43 0.00 0.00 52.55 54.24 1xkj s ASP 304 Cb 0.16 -2.53 1.73 0.00 -0.30 0.00 0.00 42.92 41.97 1xkj s ASP 304 CO 0.80 -1.52 2.21 0.07 -0.17 0.00 0.00 175.17 176.57 1xkj h LYS 305 N 11.48 0.00 0.21 4.34 2.10 -2.00 -1.08 116.57 131.62 1xkj h LYS 305 Ca -0.30 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.03 1xkj h LYS 305 Cb 1.13 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.49 1xkj h LYS 305 CO 1.06 0.03 -1.43 0.00 -2.00 0.00 0.00 179.45 177.11 1xkj h ALA 306 N 1.97 -0.05 -0.44 0.07 0.00 -1.95 -2.62 119.26 116.25 1xkj h ALA 306 Ca -0.00 -0.90 -0.07 0.00 0.00 0.00 0.00 54.91 53.94 1xkj h ALA 306 Cb 0.09 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1xkj h ALA 306 CO 0.00 0.82 0.01 0.37 0.00 0.00 0.00 179.25 180.45 1xkj h GLN 307 N 0.12 0.76 0.27 0.00 4.15 -1.88 -1.49 115.11 117.05 1xkj h GLN 307 Ca -0.23 -0.24 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1xkj h GLN 307 Cb 2.10 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 29.72 1xkj h GLN 307 CO 0.24 0.83 -0.14 0.37 -1.93 0.00 0.00 178.83 178.20 1xkj h GLN 308 N 0.61 -0.37 -0.52 1.69 4.15 -1.27 -2.01 115.11 117.38 1xkj h GLN 308 Ca 0.12 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.60 1xkj h GLN 308 Cb 0.48 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1xkj h GLN 308 CO 0.02 -0.25 0.35 -0.09 -1.93 0.00 0.00 178.83 176.93 1xkj h ARG 309 N -0.39 0.56 -0.31 1.69 1.12 -1.39 -1.59 114.38 114.08 1xkj h ARG 309 Ca -0.03 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 1xkj h ARG 309 Cb 0.31 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.13 1xkj h ARG 309 CO 0.05 0.37 0.07 0.00 -3.11 0.00 0.00 179.97 177.36 1xkj h ALA 310 N 1.70 0.40 -0.37 2.80 0.00 -0.84 -1.31 119.26 121.64 1xkj h ALA 310 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1xkj h ALA 310 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xkj h ALA 310 CO -0.05 0.07 0.16 0.28 0.00 0.00 0.00 179.25 179.70 1xkj h VAL 311 N 0.33 1.18 -0.51 0.00 2.07 -0.61 -1.37 116.25 117.34 1xkj h VAL 311 Ca 0.10 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.10 1xkj h VAL 311 Cb 0.29 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 1xkj h VAL 311 CO 0.00 0.20 0.26 0.40 0.02 0.00 0.00 177.57 178.46 1xkj h ILE 312 N 0.46 0.97 -0.88 4.57 2.04 -1.22 0.82 117.51 124.28 1xkj h ILE 312 Ca 0.13 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.82 1xkj h ILE 312 Cb 0.17 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 1xkj h ILE 312 CO -0.01 0.09 0.58 0.44 0.00 0.00 0.00 178.15 179.25 1xkj h ASP 313 N 0.52 0.99 -0.24 1.72 3.32 -0.88 -0.71 116.42 121.14 1xkj h ASP 313 Ca 0.22 -0.02 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 1xkj h ASP 313 Cb 0.12 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.42 1xkj h ASP 313 CO -0.15 0.71 -0.20 0.58 -1.72 0.00 0.00 179.24 178.45 1xkj h VAL 314 N 1.17 1.31 -0.93 -1.35 2.07 -0.71 -1.39 116.25 116.42 1xkj h VAL 314 Ca 0.33 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.56 1xkj h VAL 314 Cb -0.10 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.26 1xkj h VAL 314 CO -0.08 0.42 0.61 0.58 0.02 0.00 0.00 177.57 179.11 1xkj h VAL 315 N 0.28 1.10 -0.05 2.57 2.07 -0.39 -0.82 116.25 121.01 1xkj h VAL 315 Ca 0.04 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.04 1xkj h VAL 315 Cb 0.75 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1xkj h VAL 315 CO 0.05 0.20 -0.61 -1.13 0.02 0.00 0.00 177.57 176.10 1xkj h ASN 316 N 1.10 0.21 -0.31 0.57 -1.24 -1.01 -2.83 115.58 112.07 1xkj h ASN 316 Ca 0.39 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.24 1xkj h ASN 316 Cb 0.14 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 1xkj h ASN 316 CO -0.14 0.77 0.06 0.00 -1.29 0.00 0.00 177.43 176.83 1xkj h ALA 317 N 1.23 1.37 -0.19 1.57 0.00 -0.01 -2.53 119.26 120.71 1xkj h ALA 317 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xkj h ALA 317 Cb 1.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xkj h ALA 317 CO 0.09 0.44 0.01 -0.91 0.00 0.00 0.00 179.25 178.89 1xkj h ASN 318 N 0.58 0.32 -0.72 0.00 2.35 -1.19 -2.27 115.58 114.64 1xkj h ASN 318 Ca 0.13 -0.29 0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1xkj h ASN 318 Cb 0.28 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 1xkj h ASN 318 CO 0.00 0.53 0.37 0.40 -1.65 0.00 0.00 177.43 177.08 1xkj h ILE 319 N 0.09 0.86 0.07 2.81 2.04 -1.35 -0.69 117.51 121.35 1xkj h ILE 319 Ca 0.06 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1xkj h ILE 319 Cb 0.36 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1xkj h ILE 319 CO 0.01 0.11 -0.04 0.58 0.00 0.00 0.00 178.15 178.82 1xkj h VAL 320 N 0.63 1.00 0.21 1.67 2.07 -1.35 -0.64 116.25 119.83 1xkj h VAL 320 Ca 0.35 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1xkj h VAL 320 Cb 0.35 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1xkj h VAL 320 CO -0.26 0.06 -0.10 0.11 0.02 0.00 0.00 177.57 177.40 1xkj h LYS 321 N -0.21 -0.27 -0.01 1.57 1.57 -1.17 -3.35 116.57 114.72 1xkj h LYS 321 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1xkj h LYS 321 Cb 0.18 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1xkj h LYS 321 CO 0.02 0.13 -0.50 0.66 -0.57 0.00 0.00 179.45 179.19 1xkj n TYR 322 N -4.98 0.00 -2.17 -1.35 4.01 -0.29 -4.48 117.16 107.91 1xkj n TYR 322 Ca -0.08 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.71 1xkj n TYR 322 Cb 0.26 -0.11 0.08 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.89 0.00 0.67 -0.72 8.25 -0.26 -5.01 115.22 117.26 1xkj n HIS 323 Ca 0.08 -0.77 0.08 0.00 -0.26 0.00 0.00 57.72 56.85 1xkj n HIS 323 Cb 0.37 -0.17 0.07 0.00 1.12 0.00 0.00 29.99 31.37 1xkj n HIS 323 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41