#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkj h VAL 3 N 0.00 1.00 -0.33 2.46 3.04 -1.98 0.11 116.25 120.55 3fkj h VAL 3 Ca 0.00 -0.37 -0.02 0.00 -1.01 0.00 0.00 66.70 65.30 3fkj h VAL 3 Cb 0.00 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.10 3fkj h VAL 3 CO 0.00 0.20 0.12 0.00 -1.01 0.00 0.00 177.57 176.88 3fkj h ALA 4 N 1.50 0.42 0.10 3.17 0.00 -1.99 0.92 119.26 123.39 3fkj h ALA 4 Ca 0.47 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.26 3fkj h ALA 4 Cb 0.35 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3fkj h ALA 4 CO -0.22 0.04 -0.28 1.25 0.00 0.00 0.00 179.25 180.04 3fkj h HIS 5 N 0.38 -0.75 -0.67 0.00 -0.00 -1.82 -1.45 115.15 110.83 3fkj h HIS 5 Ca 0.11 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.47 3fkj h HIS 5 Cb 0.20 0.32 -0.03 0.00 -0.00 0.00 0.00 27.41 27.90 3fkj h HIS 5 CO -0.00 -0.38 0.30 0.93 -0.00 0.00 0.00 177.93 178.78 3fkj h GLU 6 N -0.48 0.96 0.12 5.26 4.39 -0.63 -0.30 114.58 123.89 3fkj h GLU 6 Ca 0.04 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3fkj h GLU 6 Cb 0.52 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 3fkj h GLU 6 CO -0.17 0.75 -0.09 -0.91 -1.16 0.00 0.00 179.01 177.43 3fkj h ASN 7 N 0.95 -0.23 -0.59 1.42 2.35 -0.73 -1.17 115.58 117.58 3fkj h ASN 7 Ca 0.23 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.95 3fkj h ASN 7 Cb 0.12 0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.54 3fkj h ASN 7 CO -0.03 -0.14 0.19 0.00 -1.65 0.00 0.00 177.43 175.80 3fkj h ALA 8 N 0.66 0.78 0.30 -0.83 0.00 -0.97 -1.49 119.26 117.71 3fkj h ALA 8 Ca -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3fkj h ALA 8 Cb 0.19 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fkj h ALA 8 CO -0.01 0.44 -0.15 -0.09 0.00 0.00 0.00 179.25 179.45 3fkj h ARG 9 N 0.84 -0.39 -0.51 0.00 9.65 -1.01 -2.18 114.38 120.78 3fkj h ARG 9 Ca 0.19 0.03 0.05 0.00 -1.10 0.00 0.00 59.98 59.15 3fkj h ARG 9 Cb 0.28 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.91 3fkj h ARG 9 CO -0.01 -0.19 0.24 0.00 2.80 0.00 0.00 179.97 182.82 3fkj h ARG 10 N -0.52 0.46 0.04 0.20 3.08 -1.19 -1.52 114.38 114.94 3fkj h ARG 10 Ca -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.99 3fkj h ARG 10 Cb 0.39 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3fkj h ARG 10 CO 0.07 0.30 -0.07 0.82 -1.07 0.00 0.00 179.97 180.02 3fkj h ILE 11 N 0.47 0.82 -0.06 2.04 2.04 -1.19 -2.10 117.51 119.54 3fkj h ILE 11 Ca 0.23 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.94 3fkj h ILE 11 Cb 0.16 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3fkj h ILE 11 CO -0.18 0.00 -0.65 0.40 0.00 0.00 0.00 178.15 177.72 3fkj h ILE 12 N -0.15 1.41 -0.51 -0.67 1.08 -1.26 -2.08 117.51 115.33 3fkj h ILE 12 Ca 0.02 -2.09 -0.11 0.00 -0.39 0.00 0.00 64.86 62.28 3fkj h ILE 12 Cb 0.16 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 3fkj h ILE 12 CO -0.04 0.62 -0.12 0.77 -0.69 0.00 0.00 178.15 178.69 3fkj h SER 13 N 0.16 0.98 -0.27 1.72 4.64 -1.20 -1.87 113.55 117.70 3fkj h SER 13 Ca -0.01 -0.36 0.02 0.00 -0.47 0.00 0.00 61.79 60.97 3fkj h SER 13 Cb 1.17 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3fkj h SER 13 CO 0.10 1.11 0.11 -0.78 -0.87 0.00 0.00 176.83 176.50 3fkj h ASP 14 N 0.83 0.15 -0.69 4.97 3.58 -1.16 -1.69 116.42 122.41 3fkj h ASP 14 Ca 0.13 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3fkj h ASP 14 Cb 0.68 -0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.69 3fkj h ASP 14 CO 0.05 0.12 0.43 0.40 -2.88 0.00 0.00 179.24 177.36 3fkj h ILE 15 N 0.25 1.19 0.00 2.25 2.04 -1.32 -2.84 117.51 119.08 3fkj h ILE 15 Ca 0.12 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.58 3fkj h ILE 15 Cb 0.07 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3fkj h ILE 15 CO -0.10 0.19 0.00 -0.07 0.00 0.00 0.00 178.15 178.17 3fkj h LEU 16 N 0.94 0.00 0.00 1.44 3.38 -0.98 -0.12 115.31 119.97 3fkj h LEU 16 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3fkj h LEU 16 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3fkj h LEU 16 CO -0.05 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.09 3fkj n GLY 17 N 0.32 -1.11 0.00 0.83 0.00 -0.67 -4.02 105.19 100.54 3fkj n GLY 17 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3fkj n GLY 17 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3fkj n LYS 18 N -1.45 1.51 -3.89 1.61 5.02 -0.21 -5.10 118.16 115.64 3fkj n LYS 18 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3fkj n LYS 18 Cb 0.21 -0.93 -0.01 0.00 -0.02 0.00 0.00 35.03 34.28 3fkj n LYS 18 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 3fkj s GLN 19 N -1.76 1.98 0.49 1.97 -2.07 -0.30 -5.12 119.66 114.86 3fkj s GLN 19 Ca 0.00 -1.36 0.00 0.00 -1.82 0.00 0.00 55.36 52.19 3fkj s GLN 19 Cb 0.00 0.57 0.01 0.00 -1.09 0.00 0.00 33.01 32.50 3fkj s GLN 19 CO 0.00 -0.89 0.72 -0.80 -1.32 0.00 0.00 175.29 173.00 3fkj s ASN 20 N -3.05 5.63 -0.57 12.60 0.01 -1.26 -4.18 114.94 124.10 3fkj s ASN 20 Ca 0.18 0.21 -0.00 0.00 -0.71 0.00 0.00 52.86 52.54 3fkj s ASN 20 Cb -0.04 -1.32 0.15 0.00 0.41 0.00 0.00 41.25 40.45 3fkj s ASN 20 CO 0.11 -0.87 0.36 -0.63 -1.51 0.00 0.00 177.10 174.56 3fkj s ILE 21 N -2.65 3.25 -0.12 0.60 1.01 -1.26 -4.35 121.20 117.68 3fkj s ILE 21 Ca 0.52 -3.06 0.17 0.00 0.00 0.00 0.00 60.65 58.28 3fkj s ILE 21 Cb -0.10 -3.17 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 3fkj s ILE 21 CO 0.39 -0.84 0.68 -0.62 0.00 0.00 0.00 174.94 174.55 3fkj n GLU 22 N 3.38 0.63 -3.82 2.79 1.02 0.45 -4.92 120.64 120.18 3fkj n GLU 22 Ca 0.07 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.24 3fkj n GLU 22 Cb 0.36 -1.74 -0.12 0.00 -0.02 0.00 0.00 31.44 29.92 3fkj n GLU 22 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3fkj s ARG 23 N -2.91 0.21 -0.04 3.49 0.52 -1.15 -2.32 118.95 116.75 3fkj s ARG 23 Ca -0.04 0.17 0.05 0.00 -0.52 0.00 0.00 55.73 55.39 3fkj s ARG 23 Cb 0.09 0.10 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 3fkj s ARG 23 CO 0.82 -0.03 -0.20 0.08 0.02 0.00 0.00 175.30 175.99 3fkj s VAL 24 N -0.04 1.64 -0.05 3.52 1.01 0.16 -1.06 120.40 125.58 3fkj s VAL 24 Ca -0.01 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.18 3fkj s VAL 24 Cb -0.02 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 3fkj s VAL 24 CO 0.00 0.47 -0.23 0.26 0.00 0.00 0.00 175.10 175.60 3fkj s TRP 25 N -0.09 2.47 -0.26 5.22 0.51 -0.64 -0.07 118.94 126.08 3fkj s TRP 25 Ca -0.02 -0.58 -0.12 0.00 -2.12 0.00 0.00 56.10 53.25 3fkj s TRP 25 Cb -0.12 -1.60 -0.05 0.00 -0.81 0.00 0.00 33.47 30.90 3fkj s TRP 25 CO 0.02 -0.13 0.25 -0.06 -0.51 0.00 0.00 176.95 176.53 3fkj s PHE 26 N -0.31 3.27 -0.05 -1.98 0.08 0.84 -0.65 117.98 119.19 3fkj s PHE 26 Ca 0.01 0.27 0.01 0.00 0.12 0.00 0.00 56.93 57.34 3fkj s PHE 26 Cb -0.13 -2.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.93 3fkj s PHE 26 CO 0.02 -0.10 -0.04 0.08 -0.10 0.00 0.00 175.22 175.09 3fkj s VAL 27 N 1.60 0.52 0.00 -0.44 1.01 0.00 -1.31 120.40 121.77 3fkj s VAL 27 Ca 0.10 -0.09 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3fkj s VAL 27 Cb -0.15 -0.56 0.04 0.00 0.00 0.00 0.00 36.38 35.71 3fkj s VAL 27 CO 0.09 0.23 0.53 0.61 0.00 0.00 0.00 175.10 176.56 3fkj n GLY 28 N 4.20 0.53 3.08 4.51 0.00 -1.15 -3.36 105.19 112.99 3fkj n GLY 28 Ca -0.22 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 3fkj n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkj n GLY 30 N 3.42 3.53 0.26 0.00 0.00 -1.26 -1.35 105.19 109.79 3fkj n GLY 30 Ca -0.20 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 45.92 3fkj n GLY 30 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3fkj h GLY 31 N 0.00 0.00 1.39 -0.02 0.00 -1.97 -0.93 103.07 101.55 3fkj h GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fkj h GLY 31 CO 0.00 0.00 -0.10 1.44 0.00 0.00 0.00 176.54 177.88 3fkj n SER 32 N -2.85 0.22 -0.12 0.19 7.64 -0.46 -1.66 113.62 116.58 3fkj n SER 32 Ca -0.00 -0.12 -0.23 0.00 1.01 0.00 0.00 58.87 59.53 3fkj n SER 32 Cb 0.21 -0.21 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 3fkj n SER 32 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3fkj n LEU 33 N -1.26 1.91 0.11 -3.43 7.94 -0.56 -4.30 117.00 117.41 3fkj n LEU 33 Ca 0.11 0.39 0.15 0.00 -1.11 0.00 0.00 56.01 55.55 3fkj n LEU 33 Cb 0.29 -0.86 0.67 0.00 0.53 0.00 0.00 43.42 44.05 3fkj n LEU 33 CO 0.26 0.30 1.14 0.71 -1.11 0.00 0.00 177.39 178.68 3fkj h THR 34 N -1.00 0.84 -0.14 1.96 1.35 -1.29 -0.45 112.91 114.17 3fkj h THR 34 Ca -0.45 0.00 0.04 0.00 -0.55 0.00 0.00 66.41 65.45 3fkj h THR 34 Cb 1.35 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3fkj h THR 34 CO -0.27 0.00 0.28 1.23 -0.25 0.00 0.00 175.52 176.51 3fkj h GLY 35 N 0.00 0.00 0.84 5.82 0.00 -1.55 -1.51 103.07 106.66 3fkj h GLY 35 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3fkj h GLY 35 CO -0.00 0.00 -0.29 0.69 0.00 0.00 0.00 176.54 176.94 3fkj n PHE 36 N -3.34 0.00 -0.30 5.60 3.72 -0.18 -4.10 117.46 118.87 3fkj n PHE 36 Ca 0.01 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.45 3fkj n PHE 36 Cb 0.38 -0.22 0.19 0.00 -0.94 0.00 0.00 39.48 38.89 3fkj n PHE 36 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 176.76 179.06 3fkj h TRP 37 N 0.51 0.85 -0.41 1.38 2.91 -1.39 -1.18 115.95 118.61 3fkj h TRP 37 Ca 0.00 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.11 3fkj h TRP 37 Cb 0.47 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 28.82 3fkj h TRP 37 CO 0.00 0.31 0.13 -1.35 -1.03 0.00 0.00 178.44 176.49 3fkj h PRO 38 N 0.75 0.27 -0.22 2.65 0.11 -1.80 0.18 132.00 133.94 3fkj h PRO 38 Ca 0.42 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 66.41 3fkj h PRO 38 Cb 0.45 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.50 3fkj h PRO 38 CO -0.28 0.18 -0.26 0.78 -0.21 0.00 0.00 178.00 178.21 3fkj h GLY 39 N 0.28 0.61 0.32 -0.55 0.00 -1.63 -2.57 103.07 99.53 3fkj h GLY 39 Ca 0.19 -0.65 0.06 0.00 0.00 0.00 0.00 47.33 46.94 3fkj h GLY 39 CO -0.21 0.58 -0.14 1.70 0.00 0.00 0.00 176.54 178.47 3fkj h LYS 40 N 0.24 -0.12 -0.41 4.80 3.64 -1.13 -0.57 116.57 123.03 3fkj h LYS 40 Ca 0.03 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3fkj h LYS 40 Cb 0.82 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 3fkj h LYS 40 CO 0.06 -0.08 0.26 -0.92 -2.27 0.00 0.00 179.45 176.50 3fkj h TYR 41 N -0.12 0.53 -0.14 1.91 3.20 -1.01 -0.07 116.97 121.27 3fkj h TYR 41 Ca 0.14 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.05 3fkj h TYR 41 Cb 0.33 -0.18 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3fkj h TYR 41 CO -0.32 0.36 -0.12 0.35 -1.64 0.00 0.00 178.16 176.80 3fkj h PHE 42 N 0.54 -0.29 -0.64 -3.82 3.57 -1.09 -1.21 116.94 114.01 3fkj h PHE 42 Ca 0.15 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3fkj h PHE 42 Cb -0.02 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.84 3fkj h PHE 42 CO -0.04 -0.18 0.30 -0.07 -2.23 0.00 0.00 178.31 176.09 3fkj h LEU 43 N -0.13 0.84 -1.29 0.59 3.38 -0.98 0.27 115.31 117.99 3fkj h LEU 43 Ca 0.09 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fkj h LEU 43 Cb 0.26 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3fkj h LEU 43 CO -0.22 0.75 0.35 0.44 0.09 0.00 0.00 178.44 179.85 3fkj h ASP 44 N 0.88 0.74 0.03 -0.43 3.32 -0.65 -0.32 116.42 120.00 3fkj h ASP 44 Ca 0.22 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 3fkj h ASP 44 Cb 0.13 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.51 3fkj h ASP 44 CO -0.03 0.58 -0.72 0.00 -1.72 0.00 0.00 179.24 177.36 3fkj n GLU 46 N -4.14 1.46 -3.12 0.00 -0.58 0.90 -4.94 120.64 110.22 3fkj n GLU 46 Ca -0.11 -0.01 -0.40 0.00 -0.42 0.00 0.00 57.16 56.22 3fkj n GLU 46 Cb 0.74 -1.40 -0.06 0.00 -0.57 0.00 0.00 31.44 30.15 3fkj n GLU 46 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3fkj s ALA 47 N -2.39 3.55 -0.22 0.62 0.00 -0.16 -4.98 121.76 118.19 3fkj s ALA 47 Ca -0.08 -0.30 0.20 0.00 0.00 0.00 0.00 51.96 51.78 3fkj s ALA 47 Cb 0.05 -2.97 0.02 0.00 0.00 0.00 0.00 23.12 20.21 3fkj s ALA 47 CO 0.63 -0.59 1.12 0.77 0.00 0.00 0.00 175.76 177.69 3fkj h SER 48 N 7.54 0.00 0.00 0.00 0.02 -1.92 -3.40 113.55 115.79 3fkj h SER 48 Ca -0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 3fkj h SER 48 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3fkj h SER 48 CO 0.77 0.25 -1.03 0.29 -1.14 0.00 0.00 176.83 175.98 3fkj n LYS 49 N -2.89 0.84 -2.42 3.45 5.02 -1.26 -5.02 118.16 115.88 3fkj n LYS 49 Ca -0.02 -0.03 -0.40 0.00 -2.02 0.00 0.00 58.31 55.84 3fkj n LYS 49 Cb 0.66 -1.03 -0.04 0.00 -0.02 0.00 0.00 35.03 34.61 3fkj n LYS 49 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3fkj s LEU 50 N -3.10 4.53 -0.20 -0.35 2.96 -1.26 -4.95 118.68 116.31 3fkj s LEU 50 Ca -0.01 2.31 -0.10 0.00 -0.22 0.00 0.00 54.13 56.11 3fkj s LEU 50 Cb 0.02 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 3fkj s LEU 50 CO 0.14 -0.21 0.13 0.00 -1.32 0.00 0.00 176.35 175.09 3fkj s ALA 51 N -1.02 3.69 -0.14 5.97 0.00 -0.98 -5.02 121.76 124.26 3fkj s ALA 51 Ca 0.46 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3fkj s ALA 51 Cb -0.33 -2.17 0.02 0.00 0.00 0.00 0.00 23.12 20.64 3fkj s ALA 51 CO 0.42 0.17 -0.13 0.08 0.00 0.00 0.00 175.76 176.30 3fkj s VAL 52 N 0.33 1.46 0.25 0.00 1.01 -1.26 -0.67 120.40 121.52 3fkj s VAL 52 Ca 0.08 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.59 3fkj s VAL 52 Cb -0.11 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.84 3fkj s VAL 52 CO -0.02 0.44 0.00 -0.83 0.00 0.00 0.00 175.10 174.70 3fkj s GLY 53 N 1.50 1.65 -0.28 4.51 0.00 0.90 -5.00 107.32 110.60 3fkj s GLY 53 Ca 0.04 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.19 3fkj s GLY 53 CO -0.10 -1.64 0.47 -0.47 0.00 0.00 0.00 173.10 171.36 3fkj s TYR 54 N -2.19 -1.23 -0.10 1.90 5.04 -1.25 -0.11 117.35 119.40 3fkj s TYR 54 Ca 0.30 0.79 -0.07 0.00 -2.44 0.00 0.00 57.07 55.65 3fkj s TYR 54 Cb -0.07 0.08 0.04 0.00 0.35 0.00 0.00 41.96 42.36 3fkj s TYR 54 CO 0.20 -0.93 0.25 -1.50 -1.34 0.00 0.00 175.55 172.22 3fkj s ILE 55 N 2.65 -0.02 0.32 3.14 1.10 -0.43 -4.98 121.20 122.98 3fkj s ILE 55 Ca 0.12 0.07 -0.29 0.00 -0.51 0.00 0.00 60.65 60.04 3fkj s ILE 55 Cb -0.13 -0.36 -0.11 0.00 0.15 0.00 0.00 42.46 42.01 3fkj s ILE 55 CO -0.25 0.03 1.42 0.28 -2.11 0.00 0.00 174.94 174.31 3fkj s THR 56 N 0.70 2.44 0.20 4.00 -1.32 -1.26 -2.95 115.64 117.45 3fkj s THR 56 Ca -0.05 0.42 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 3fkj s THR 56 Cb -0.06 -3.27 0.13 0.00 -1.51 0.00 0.00 72.50 67.79 3fkj s THR 56 CO -0.04 0.09 1.75 0.28 -2.21 0.00 0.00 174.62 174.48 3fkj h SER 57 N 3.74 0.21 1.50 8.08 0.02 -1.58 -2.14 113.55 123.38 3fkj h SER 57 Ca -0.49 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 60.51 3fkj h SER 57 Cb 1.23 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 3fkj h SER 57 CO 0.69 0.14 -0.09 -1.13 -1.14 0.00 0.00 176.83 175.29 3fkj h ASN 58 N 0.39 0.00 0.17 3.07 -1.24 -1.88 -1.56 115.58 114.53 3fkj h ASN 58 Ca 0.28 0.00 -0.25 0.00 0.71 0.00 0.00 56.30 57.04 3fkj h ASN 58 Cb 0.33 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.39 3fkj h ASN 58 CO -0.28 0.09 -1.01 -0.08 -1.29 0.00 0.00 177.43 174.86 3fkj h GLU 59 N 0.00 0.56 -0.99 6.67 4.81 -1.79 -1.64 114.58 122.21 3fkj h GLU 59 Ca -0.00 -0.61 0.03 0.00 -0.13 0.00 0.00 59.36 58.64 3fkj h GLU 59 Cb 0.87 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 3fkj h GLU 59 CO 0.01 1.23 0.65 0.35 -0.73 0.00 0.00 179.01 180.52 3fkj h PHE 60 N 0.31 1.22 -0.16 0.92 3.57 -1.14 0.91 116.94 122.58 3fkj h PHE 60 Ca -0.11 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.39 3fkj h PHE 60 Cb 1.66 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 3fkj h PHE 60 CO 0.08 0.73 -0.03 0.28 -2.23 0.00 0.00 178.31 177.14 3fkj h VAL 61 N 1.28 1.28 0.07 1.41 2.07 -1.30 -3.21 116.25 117.85 3fkj h VAL 61 Ca 0.38 -0.96 -0.28 0.00 0.82 0.00 0.00 66.70 66.67 3fkj h VAL 61 Cb -0.05 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3fkj h VAL 61 CO -0.11 0.28 -1.42 0.45 0.02 0.00 0.00 177.57 176.79 3fkj h HIS 62 N 0.02 0.26 -2.59 1.57 3.86 -1.06 -3.38 115.15 113.82 3fkj h HIS 62 Ca 0.04 -0.19 -0.60 0.00 -1.16 0.00 0.00 60.37 58.46 3fkj h HIS 62 Cb 0.45 -0.01 -0.40 0.00 1.06 0.00 0.00 27.41 28.50 3fkj h HIS 62 CO 0.05 1.22 -0.79 0.00 0.86 0.00 0.00 177.93 179.27 3fkj n ALA 63 N -2.56 3.17 -2.55 2.45 0.00 0.29 -5.08 120.51 116.23 3fkj n ALA 63 Ca -0.12 -3.88 -0.42 0.00 0.00 0.00 0.00 53.44 49.02 3fkj n ALA 63 Cb 1.02 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3fkj n ALA 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3fkj s THR 64 N -0.94 4.41 0.24 0.00 2.01 -1.21 -4.58 115.64 115.57 3fkj s THR 64 Ca 0.31 1.73 -0.31 0.00 0.31 0.00 0.00 61.69 63.72 3fkj s THR 64 Cb 0.03 -4.11 -0.13 0.00 0.01 0.00 0.00 72.50 68.31 3fkj s THR 64 CO -0.16 0.12 1.54 -0.81 -0.69 0.00 0.00 174.62 174.63 3fkj n PRO 65 N 4.01 2.39 0.27 4.92 -0.04 -1.26 -4.87 135.00 140.41 3fkj n PRO 65 Ca 0.08 0.85 0.15 0.00 -0.04 0.00 0.00 63.50 64.54 3fkj n PRO 65 Cb 0.48 -2.60 0.86 0.00 -0.04 0.00 0.00 33.50 32.21 3fkj n PRO 65 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 3fkj h LYS 66 N 5.00 0.00 0.00 0.54 1.57 -2.02 -2.64 116.57 119.02 3fkj h LYS 66 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3fkj h LYS 66 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3fkj h LYS 66 CO 0.81 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.69 3fkj h ALA 67 N 1.95 1.00 -2.60 3.86 0.00 -2.03 -3.44 119.26 118.00 3fkj h ALA 67 Ca 0.02 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.40 3fkj h ALA 67 Cb 0.11 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.93 3fkj h ALA 67 CO -0.00 0.00 0.78 -1.17 0.00 0.00 0.00 179.25 178.86 3fkj s LEU 68 N -6.13 4.37 0.00 0.00 2.96 -1.00 -4.92 118.68 113.96 3fkj s LEU 68 Ca -0.03 2.47 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 3fkj s LEU 68 Cb 0.12 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.21 3fkj s LEU 68 CO 0.44 -0.71 0.00 0.61 -1.32 0.00 0.00 176.35 175.37 3fkj n GLY 69 N 3.38 1.21 0.24 7.98 0.00 -1.26 -4.98 105.19 111.77 3fkj n GLY 69 Ca 0.11 -0.62 0.03 0.00 0.00 0.00 0.00 46.02 45.54 3fkj n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fkj h LYS 70 N 0.00 0.22 -0.79 1.61 6.56 -1.71 -2.06 116.57 120.40 3fkj h LYS 70 Ca 0.00 -0.05 -0.42 0.00 -1.06 0.00 0.00 60.65 59.12 3fkj h LYS 70 Cb 0.00 -0.03 -0.25 0.00 -0.57 0.00 0.00 32.23 31.38 3fkj h LYS 70 CO 0.00 0.34 0.41 0.09 -2.06 0.00 0.00 179.45 178.22 3fkj n ASN 71 N -4.31 3.55 -4.81 0.86 3.02 -1.26 -4.69 115.26 107.62 3fkj n ASN 71 Ca -0.01 -3.68 -0.30 0.00 -0.03 0.00 0.00 54.58 50.55 3fkj n ASN 71 Cb 0.24 -0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 38.58 3fkj n ASN 71 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3fkj s SER 72 N -1.76 5.74 -0.11 6.41 0.01 -0.78 -0.41 113.70 122.79 3fkj s SER 72 Ca 0.53 0.06 0.03 0.00 1.31 0.00 0.00 55.95 57.88 3fkj s SER 72 Cb 0.46 -1.60 0.00 0.00 0.21 0.00 0.00 66.02 65.09 3fkj s SER 72 CO 0.07 0.17 -0.23 -0.69 0.41 0.00 0.00 173.24 172.97 3fkj s VAL 73 N -1.43 2.14 -0.20 3.43 1.01 -0.22 -2.21 120.40 122.92 3fkj s VAL 73 Ca 0.31 -0.98 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3fkj s VAL 73 Cb -0.12 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3fkj s VAL 73 CO 0.24 0.55 -0.04 -0.69 0.00 0.00 0.00 175.10 175.16 3fkj s VAL 74 N 0.45 3.55 -0.21 2.92 1.01 0.37 -1.62 120.40 126.88 3fkj s VAL 74 Ca -0.16 -0.44 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 3fkj s VAL 74 Cb -0.17 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3fkj s VAL 74 CO 0.06 0.44 -0.03 -0.63 0.00 0.00 0.00 175.10 174.94 3fkj s ILE 75 N 1.16 3.62 0.14 2.22 1.01 0.18 -1.28 121.20 128.24 3fkj s ILE 75 Ca 0.02 -0.42 0.08 0.00 0.00 0.00 0.00 60.65 60.34 3fkj s ILE 75 Cb -0.14 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 3fkj s ILE 75 CO -0.00 0.42 -0.19 -0.76 0.00 0.00 0.00 174.94 174.41 3fkj s LEU 76 N 1.25 2.39 0.05 2.97 1.02 0.11 -0.82 118.68 125.65 3fkj s LEU 76 Ca 0.03 -0.80 0.02 0.00 0.02 0.00 0.00 54.13 53.40 3fkj s LEU 76 Cb -0.14 -0.83 -0.03 0.00 0.02 0.00 0.00 46.19 45.21 3fkj s LEU 76 CO -0.00 -0.01 -0.07 0.00 0.02 0.00 0.00 176.35 176.29 3fkj s ALA 77 N -1.74 0.55 0.07 4.21 0.00 -1.22 0.30 121.76 123.93 3fkj s ALA 77 Ca 0.12 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.27 3fkj s ALA 77 Cb -0.07 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 3fkj s ALA 77 CO 0.06 -0.08 0.05 0.45 0.00 0.00 0.00 175.76 176.24 3fkj n SER 78 N 1.26 0.09 0.00 0.00 2.88 -0.57 -4.65 113.62 112.63 3fkj n SER 78 Ca -0.21 -1.45 0.00 0.00 -1.33 0.00 0.00 58.87 55.88 3fkj n SER 78 Cb 0.56 0.32 0.00 0.00 -0.75 0.00 0.00 64.21 64.33 3fkj n SER 78 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3fkj n THR 83 N -0.14 0.00 0.22 2.46 -1.04 -1.26 -4.31 114.28 110.21 3fkj n THR 83 Ca 0.01 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.14 3fkj n THR 83 Cb 0.12 0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.35 3fkj n THR 83 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3fkj h ALA 84 N 0.00 1.97 0.00 2.41 0.00 -2.03 -2.02 119.26 119.59 3fkj h ALA 84 Ca 0.00 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 3fkj h ALA 84 Cb 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3fkj h ALA 84 CO 0.00 -0.14 -0.62 1.05 0.00 0.00 0.00 179.25 179.54 3fkj h GLU 85 N 0.00 0.00 -0.02 0.00 9.09 -1.98 -0.79 114.58 120.87 3fkj h GLU 85 Ca 0.05 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.22 3fkj h GLU 85 Cb 0.22 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.33 3fkj h GLU 85 CO -0.00 0.62 -0.96 1.15 0.05 0.00 0.00 179.01 179.87 3fkj h THR 86 N 0.00 1.32 0.09 -1.06 2.02 -1.69 -1.02 112.91 112.57 3fkj h THR 86 Ca -0.01 -2.27 0.02 0.00 0.77 0.00 0.00 66.41 64.92 3fkj h THR 86 Cb 1.36 2.33 -0.04 0.00 -1.74 0.00 0.00 68.15 70.06 3fkj h THR 86 CO 0.08 0.70 -0.28 0.58 0.37 0.00 0.00 175.52 176.97 3fkj h VAL 87 N 0.36 0.39 -0.81 3.16 2.07 -1.45 -2.04 116.25 117.92 3fkj h VAL 87 Ca -0.10 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.54 3fkj h VAL 87 Cb 1.60 0.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3fkj h VAL 87 CO 0.18 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.30 3fkj h ALA 88 N 0.25 1.85 -0.34 1.67 0.00 -1.12 -1.28 119.26 120.29 3fkj h ALA 88 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3fkj h ALA 88 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3fkj h ALA 88 CO -0.18 -0.05 -0.33 0.00 0.00 0.00 0.00 179.25 178.69 3fkj h ALA 89 N 1.61 0.76 -0.15 0.00 0.00 -0.96 -1.08 119.26 119.45 3fkj h ALA 89 Ca 0.39 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fkj h ALA 89 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fkj h ALA 89 CO -0.16 0.65 0.07 0.00 0.00 0.00 0.00 179.25 179.82 3fkj h ALA 90 N 0.98 0.19 -0.17 0.00 0.00 -0.60 -1.28 119.26 118.39 3fkj h ALA 90 Ca 0.07 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3fkj h ALA 90 Cb 0.87 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3fkj h ALA 90 CO 0.08 -0.25 -0.24 -0.09 0.00 0.00 0.00 179.25 178.75 3fkj h ARG 91 N 0.11 -0.28 -0.49 0.00 2.43 -1.15 -0.62 114.38 114.38 3fkj h ARG 91 Ca 0.05 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 3fkj h ARG 91 Cb 0.12 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 3fkj h ARG 91 CO -0.01 -0.18 0.18 0.28 -1.51 0.00 0.00 179.97 178.73 3fkj h VAL 92 N -0.29 0.85 0.25 0.20 2.07 -1.14 0.71 116.25 118.90 3fkj h VAL 92 Ca 0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3fkj h VAL 92 Cb 0.46 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 3fkj h VAL 92 CO -0.33 0.07 -0.28 0.00 0.02 0.00 0.00 177.57 177.04 3fkj h ALA 93 N 1.32 -0.56 -0.07 1.67 0.00 -0.88 -1.10 119.26 119.63 3fkj h ALA 93 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fkj h ALA 93 Cb 0.24 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3fkj h ALA 93 CO -0.23 -0.85 -0.06 -0.09 0.00 0.00 0.00 179.25 178.02 3fkj h ARG 94 N -0.57 -0.07 -0.57 0.00 2.43 -0.99 -1.36 114.38 113.24 3fkj h ARG 94 Ca -0.00 0.00 0.17 0.00 -0.81 0.00 0.00 59.98 59.34 3fkj h ARG 94 Cb 0.54 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3fkj h ARG 94 CO -0.08 -0.05 0.44 0.93 -1.51 0.00 0.00 179.97 179.70 3fkj h GLU 95 N -0.08 0.00 -0.00 0.20 5.08 -0.60 0.29 114.58 119.48 3fkj h GLU 95 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fkj h GLU 95 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3fkj h GLU 95 CO -0.12 0.00 -0.16 1.63 -1.00 0.00 0.00 179.01 179.36 3fkj n LYS 96 N -4.23 0.54 -0.28 2.33 4.01 -0.44 -4.94 118.16 115.15 3fkj n LYS 96 Ca 0.11 -0.20 0.00 0.00 -0.51 0.00 0.00 58.31 57.70 3fkj n LYS 96 Cb 0.67 -1.50 0.00 0.00 -0.51 0.00 0.00 35.03 33.69 3fkj n LYS 96 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fkj n GLY 97 N 1.34 0.73 3.78 0.72 0.00 0.10 -4.09 105.19 107.78 3fkj n GLY 97 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3fkj n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkj s ALA 98 N -2.32 3.17 0.37 4.61 0.00 -0.57 -4.09 121.76 122.93 3fkj s ALA 98 Ca 0.00 0.61 -0.26 0.00 0.00 0.00 0.00 51.96 52.31 3fkj s ALA 98 Cb 0.00 -3.23 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 3fkj s ALA 98 CO 0.00 0.01 1.13 0.00 0.00 0.00 0.00 175.76 176.89 3fkj s ALA 99 N -1.62 3.21 -0.07 0.00 0.00 -0.94 -3.97 121.76 118.37 3fkj s ALA 99 Ca 0.53 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.43 3fkj s ALA 99 Cb -0.20 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 3fkj s ALA 99 CO 0.26 -0.36 -0.25 0.95 0.00 0.00 0.00 175.76 176.36 3fkj s THR 100 N -1.41 2.07 -0.16 0.00 -4.23 -1.26 -0.48 115.64 110.17 3fkj s THR 100 Ca 0.54 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.00 3fkj s THR 100 Cb -0.29 -1.76 0.00 0.00 1.34 0.00 0.00 72.50 71.80 3fkj s THR 100 CO 0.37 0.57 -0.17 -0.63 -0.54 0.00 0.00 174.62 174.22 3fkj s ILE 101 N -0.02 2.47 -0.21 2.99 1.01 -0.41 -1.71 121.20 125.31 3fkj s ILE 101 Ca -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3fkj s ILE 101 Cb -0.15 -2.04 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 3fkj s ILE 101 CO 0.05 0.52 -0.03 -0.83 0.00 0.00 0.00 174.94 174.66 3fkj s GLY 102 N 0.97 1.65 -0.23 6.18 0.00 0.52 0.06 107.32 116.46 3fkj s GLY 102 Ca -0.03 -1.08 -0.16 0.00 0.00 0.00 0.00 44.72 43.45 3fkj s GLY 102 CO -0.03 0.33 0.42 1.08 0.00 0.00 0.00 173.10 174.90 3fkj s LEU 103 N 1.25 4.10 0.05 0.66 1.02 0.15 -0.15 118.68 125.75 3fkj s LEU 103 Ca 0.03 0.46 0.03 0.00 0.02 0.00 0.00 54.13 54.67 3fkj s LEU 103 Cb -0.14 -2.53 -0.02 0.00 0.02 0.00 0.00 46.19 43.51 3fkj s LEU 103 CO -0.00 -0.16 -0.09 0.68 0.02 0.00 0.00 176.35 176.80 3fkj s VAL 104 N 1.77 0.65 -0.18 -1.59 -7.23 -0.23 -1.51 120.40 112.09 3fkj s VAL 104 Ca 0.19 -1.12 -0.21 0.00 -1.81 0.00 0.00 61.98 59.02 3fkj s VAL 104 Cb -0.15 -0.69 -0.19 0.00 0.56 0.00 0.00 36.38 35.91 3fkj s VAL 104 CO 0.09 -0.35 0.33 0.22 -0.31 0.00 0.00 175.10 175.08 3fkj h TYR 105 N 4.46 0.00 -2.93 2.82 3.20 -1.83 -0.38 116.97 122.31 3fkj h TYR 105 Ca -0.37 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 60.85 3fkj h TYR 105 Cb 1.20 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.39 3fkj h TYR 105 CO 0.64 1.13 -0.53 -0.65 -1.64 0.00 0.00 178.16 177.11 3fkj s GLN 106 N -2.27 3.25 0.80 1.82 -0.21 -1.26 -4.75 119.66 117.04 3fkj s GLN 106 Ca -0.23 -0.35 -0.12 0.00 0.02 0.00 0.00 55.36 54.68 3fkj s GLN 106 Cb 0.03 -3.00 0.07 0.00 1.00 0.00 0.00 33.01 31.11 3fkj s GLN 106 CO 0.55 0.69 1.16 -1.25 -2.12 0.00 0.00 175.29 174.32 3fkj s PRO 107 N -1.59 2.08 0.00 2.91 0.04 -1.26 -4.05 135.00 133.13 3fkj s PRO 107 Ca 0.22 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.47 3fkj s PRO 107 Cb -0.12 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3fkj s PRO 107 CO 0.12 -1.53 0.00 -0.25 0.04 0.00 0.00 177.00 175.38 3fkj n ASP 108 N -3.30 -5.13 -4.88 6.66 9.92 -1.26 -4.98 116.55 113.60 3fkj n ASP 108 Ca 0.08 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 54.03 3fkj n ASP 108 Cb 0.60 -3.18 0.02 0.00 -0.64 0.00 0.00 41.12 37.92 3fkj n ASP 108 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3fkj s THR 109 N -1.09 4.48 0.48 -3.53 -4.23 -1.26 -4.93 115.64 105.56 3fkj s THR 109 Ca 0.00 0.75 0.22 0.00 -1.18 0.00 0.00 61.69 61.48 3fkj s THR 109 Cb 0.00 -3.79 0.40 0.00 1.34 0.00 0.00 72.50 70.45 3fkj s THR 109 CO 0.00 -1.02 1.92 -0.65 -0.54 0.00 0.00 174.62 174.33 3fkj h PRO 110 N -0.34 0.20 -0.04 3.99 0.11 -1.94 -0.82 132.00 133.16 3fkj h PRO 110 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.59 3fkj h PRO 110 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3fkj h PRO 110 CO 0.62 0.13 -0.26 1.25 -0.21 0.00 0.00 178.00 179.54 3fkj h LEU 111 N 0.21 0.06 -1.58 2.35 5.85 -1.94 -2.82 115.31 117.43 3fkj h LEU 111 Ca 0.37 -0.02 0.22 0.00 0.84 0.00 0.00 57.88 59.29 3fkj h LEU 111 Cb 1.14 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.09 3fkj h LEU 111 CO -0.07 0.32 0.62 0.00 -0.34 0.00 0.00 178.44 178.96 3fkj h GLU 113 N 0.33 0.26 -0.30 0.00 4.81 -1.67 -2.87 114.58 115.13 3fkj h GLU 113 Ca 0.48 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3fkj h GLU 113 Cb 1.32 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.65 3fkj h GLU 113 CO -0.16 0.30 0.00 0.66 -0.73 0.00 0.00 179.01 179.08 3fkj n TYR 114 N -4.37 0.50 -3.55 0.92 4.01 -0.89 -4.94 117.16 108.84 3fkj n TYR 114 Ca -0.00 -0.56 -0.40 0.00 -0.16 0.00 0.00 57.90 56.77 3fkj n TYR 114 Cb 0.19 -0.07 -0.11 0.00 -0.31 0.00 0.00 39.34 39.03 3fkj n TYR 114 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3fkj s SER 115 N -1.16 5.92 0.43 7.72 0.01 -1.09 -4.63 113.70 120.90 3fkj s SER 115 Ca 0.25 -0.58 0.10 0.00 1.31 0.00 0.00 55.95 57.02 3fkj s SER 115 Cb 0.15 -2.10 0.93 0.00 0.21 0.00 0.00 66.02 65.21 3fkj s SER 115 CO 0.13 -0.28 2.03 0.44 0.41 0.00 0.00 173.24 175.98 3fkj h ASP 116 N 8.48 0.27 -3.88 2.44 3.32 -1.64 -3.41 116.42 122.00 3fkj h ASP 116 Ca -0.30 -0.02 -0.32 0.00 0.02 0.00 0.00 57.03 56.40 3fkj h ASP 116 Cb 1.14 -0.07 -0.29 0.00 0.22 0.00 0.00 39.33 40.34 3fkj h ASP 116 CO 0.65 0.28 -0.75 -0.31 -1.72 0.00 0.00 179.24 177.38 3fkj s TYR 117 N -5.12 0.45 -0.10 4.55 1.51 -0.70 -5.01 117.35 112.93 3fkj s TYR 117 Ca -0.06 -0.08 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 3fkj s TYR 117 Cb 0.17 -0.30 0.00 0.00 -0.11 0.00 0.00 41.96 41.72 3fkj s TYR 117 CO 0.72 -0.01 -0.21 0.42 -1.11 0.00 0.00 175.55 175.35 3fkj s ILE 118 N -0.06 1.87 -0.26 2.71 1.01 -1.26 -0.36 121.20 124.85 3fkj s ILE 118 Ca 0.01 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.75 3fkj s ILE 118 Cb -0.03 -1.63 0.03 0.00 0.01 0.00 0.00 42.46 40.85 3fkj s ILE 118 CO -0.00 0.52 -0.05 -0.63 0.00 0.00 0.00 174.94 174.77 3fkj s ILE 119 N 0.46 2.86 -0.81 2.92 1.01 0.79 -4.96 121.20 123.46 3fkj s ILE 119 Ca -0.17 -1.12 -0.23 0.00 0.00 0.00 0.00 60.65 59.13 3fkj s ILE 119 Cb -0.17 -2.50 0.06 0.00 0.01 0.00 0.00 42.46 39.86 3fkj s ILE 119 CO 0.07 0.14 1.20 -1.61 0.00 0.00 0.00 174.94 174.74 3fkj s GLU 120 N 1.30 3.33 0.88 2.79 2.02 -1.26 -1.06 118.70 126.70 3fkj s GLU 120 Ca -0.01 -0.86 -0.12 0.00 0.02 0.00 0.00 54.97 54.00 3fkj s GLU 120 Cb -0.17 -4.59 0.12 0.00 0.10 0.00 0.00 34.13 29.59 3fkj s GLU 120 CO -0.04 -2.01 1.12 1.52 0.02 0.00 0.00 175.26 175.87 3fkj s TYR 121 N 4.59 2.56 -0.12 1.61 -0.85 -0.15 -4.98 117.35 120.01 3fkj s TYR 121 Ca 0.34 0.98 -0.06 0.00 -0.52 0.00 0.00 57.07 57.81 3fkj s TYR 121 Cb -0.08 -3.28 -0.04 0.00 0.38 0.00 0.00 41.96 38.94 3fkj s TYR 121 CO 0.04 -2.23 0.11 -0.65 -1.52 0.00 0.00 175.55 171.30 3fkj s GLN 122 N -5.19 3.40 -0.12 -3.49 -1.52 0.68 -4.67 119.66 108.76 3fkj s GLN 122 Ca 0.63 -0.19 -0.13 0.00 -1.95 0.00 0.00 55.36 53.72 3fkj s GLN 122 Cb -0.15 -3.12 0.03 0.00 -0.22 0.00 0.00 33.01 29.55 3fkj s GLN 122 CO 0.54 0.73 0.35 -0.46 -0.25 0.00 0.00 175.29 176.20 3fkj s TRP 123 N -0.91 -0.36 0.05 0.91 -0.00 -1.26 -4.18 118.94 113.19 3fkj s TRP 123 Ca 0.14 0.86 -0.06 0.00 -0.00 0.00 0.00 56.10 57.04 3fkj s TRP 123 Cb -0.12 0.13 -0.01 0.00 -0.00 0.00 0.00 33.47 33.47 3fkj s TRP 123 CO 0.03 -0.22 0.12 0.00 -0.00 0.00 0.00 176.95 176.88 3fkj s ALA 124 N -0.03 -0.08 -0.44 5.86 0.00 -1.26 -4.98 121.76 120.83 3fkj s ALA 124 Ca -0.02 -0.60 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 3fkj s ALA 124 Cb -0.03 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3fkj s ALA 124 CO 0.01 -0.37 1.27 0.50 0.00 0.00 0.00 175.76 177.17 3fkj s ARG 125 N -3.03 3.66 0.22 0.00 3.52 -1.26 -4.83 118.95 117.23 3fkj s ARG 125 Ca -0.01 0.76 -0.31 0.00 -0.13 0.00 0.00 55.73 56.04 3fkj s ARG 125 Cb 0.01 -3.96 -0.15 0.00 -1.56 0.00 0.00 34.95 29.29 3fkj s ARG 125 CO -0.06 -1.46 1.04 0.98 -0.81 0.00 0.00 175.30 174.98 3fkj n TYR 126 N 8.30 1.10 1.12 5.12 9.36 -1.26 -1.29 117.16 139.60 3fkj n TYR 126 Ca 0.14 0.72 0.12 0.00 3.32 0.00 0.00 57.90 62.21 3fkj n TYR 126 Cb 0.48 -2.23 0.61 0.00 -0.63 0.00 0.00 39.34 37.57 3fkj n TYR 126 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3fkj n PRO 127 N 1.29 0.28 -2.01 2.98 -0.04 -1.26 -5.03 135.00 131.20 3fkj n PRO 127 Ca 0.13 0.05 -0.41 0.00 -0.04 0.00 0.00 63.50 63.23 3fkj n PRO 127 Cb 0.27 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 3fkj n PRO 127 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3fkj s GLU 128 N -2.67 4.26 0.32 0.54 2.02 -0.42 -5.01 118.70 117.76 3fkj s GLU 128 Ca 0.21 2.30 0.05 0.00 0.02 0.00 0.00 54.97 57.55 3fkj s GLU 128 Cb 0.17 -3.12 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 3fkj s GLU 128 CO 0.40 -0.44 0.00 0.95 0.02 0.00 0.00 175.26 176.19 3fkj s THR 129 N 0.17 1.52 0.23 3.63 -4.23 -1.26 -4.11 115.64 111.59 3fkj s THR 129 Ca 0.61 -2.05 -0.04 0.00 -1.18 0.00 0.00 61.69 59.03 3fkj s THR 129 Cb -0.42 -2.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.69 3fkj s THR 129 CO 0.41 -0.12 0.24 0.54 -0.54 0.00 0.00 174.62 175.16 3fkj s VAL 130 N -3.07 0.00 -0.12 2.29 0.11 -1.26 -4.89 120.40 113.46 3fkj s VAL 130 Ca 0.34 -1.83 -0.29 0.00 -2.93 0.00 0.00 61.98 57.26 3fkj s VAL 130 Cb 0.07 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 3fkj s VAL 130 CO 0.15 0.00 1.80 -0.62 -3.33 0.00 0.00 175.10 173.10 3fkj s ASP 131 N -3.14 6.33 0.41 3.54 2.15 -1.26 -4.87 116.67 119.83 3fkj s ASP 131 Ca 0.34 2.07 0.14 0.00 0.43 0.00 0.00 52.55 55.54 3fkj s ASP 131 Cb 0.04 -2.53 1.01 0.00 -0.30 0.00 0.00 42.92 41.14 3fkj s ASP 131 CO 0.12 -1.23 1.90 -0.65 -0.17 0.00 0.00 175.17 175.14 3fkj h PRO 132 N 11.05 0.46 0.00 4.34 0.11 -1.95 -1.87 132.00 144.14 3fkj h PRO 132 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3fkj h PRO 132 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fkj h PRO 132 CO 0.97 0.30 0.00 0.00 -0.21 0.00 0.00 178.00 179.06 3fkj h ALA 133 N 1.63 1.00 -0.34 -0.75 0.00 -1.90 -2.43 119.26 116.47 3fkj h ALA 133 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3fkj h ALA 133 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3fkj h ALA 133 CO -0.15 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.14 3fkj n GLN 134 N -2.49 2.32 -1.70 0.00 6.02 -0.71 -4.51 117.38 116.31 3fkj n GLN 134 Ca 0.00 -2.00 -0.31 0.00 -0.01 0.00 0.00 57.00 54.68 3fkj n GLN 134 Cb 0.18 -1.35 0.04 0.00 1.02 0.00 0.00 30.24 30.14 3fkj n GLN 134 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3fkj s GLN 135 N -1.08 3.02 0.13 -1.09 -0.21 -0.91 -0.23 119.66 119.29 3fkj s GLN 135 Ca 0.28 0.79 -0.25 0.00 0.02 0.00 0.00 55.36 56.20 3fkj s GLN 135 Cb 0.15 -2.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 3fkj s GLN 135 CO 0.21 -1.00 1.63 -0.22 -2.12 0.00 0.00 175.29 173.79 3fkj h LYS 136 N -0.64 -0.33 -0.16 2.91 3.64 -1.90 -1.77 116.57 118.33 3fkj h LYS 136 Ca -0.44 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 58.91 3fkj h LYS 136 Cb 1.22 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3fkj h LYS 136 CO 0.60 -0.22 -0.11 0.00 -2.27 0.00 0.00 179.45 177.45 3fkj h ALA 137 N 0.56 1.53 -0.68 5.00 0.00 -1.94 -2.72 119.26 121.02 3fkj h ALA 137 Ca 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3fkj h ALA 137 Cb 0.47 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3fkj h ALA 137 CO -0.28 0.34 0.41 0.00 0.00 0.00 0.00 179.25 179.72 3fkj h ALA 138 N 1.66 0.86 0.00 0.00 0.00 -1.60 -2.49 119.26 117.69 3fkj h ALA 138 Ca 0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fkj h ALA 138 Cb 0.35 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fkj h ALA 138 CO 0.02 0.33 -0.06 1.88 0.00 0.00 0.00 179.25 181.42 3fkj h TYR 139 N 0.92 0.00 -0.92 0.00 0.05 -1.09 -0.86 116.97 115.07 3fkj h TYR 139 Ca 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 3fkj h TYR 139 Cb -0.04 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.66 3fkj h TYR 139 CO -0.02 0.06 0.56 0.66 -1.05 0.00 0.00 178.16 178.37 3fkj h SER 140 N 0.00 1.10 0.01 3.88 4.64 -1.42 0.51 113.55 122.26 3fkj h SER 140 Ca -0.00 -0.07 -0.26 0.00 -0.47 0.00 0.00 61.79 60.99 3fkj h SER 140 Cb 0.12 -0.28 0.02 0.00 -0.31 0.00 0.00 62.40 61.96 3fkj h SER 140 CO 0.01 0.84 -1.03 0.25 -0.87 0.00 0.00 176.83 176.03 3fkj h LEU 141 N 1.26 0.90 0.07 5.97 5.85 -1.26 -2.28 115.31 125.82 3fkj h LEU 141 Ca 0.33 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 58.32 3fkj h LEU 141 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3fkj h LEU 141 CO -0.06 1.52 -0.12 -0.50 -0.34 0.00 0.00 178.44 178.95 3fkj h TRP 142 N 0.36 -0.30 -0.75 1.25 4.06 -1.05 0.13 115.95 119.66 3fkj h TRP 142 Ca -0.13 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.80 3fkj h TRP 142 Cb 1.69 0.12 -0.04 0.00 -1.00 0.00 0.00 29.16 29.93 3fkj h TRP 142 CO 0.11 -0.18 0.39 -0.07 -3.56 0.00 0.00 178.44 175.13 3fkj h LEU 143 N -0.23 0.94 -0.23 -4.49 3.38 -0.95 -2.08 115.31 111.65 3fkj h LEU 143 Ca 0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3fkj h LEU 143 Cb 0.25 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3fkj h LEU 143 CO -0.06 0.78 -0.10 0.00 0.09 0.00 0.00 178.44 179.14 3fkj h ALA 144 N 1.37 0.32 -0.56 1.53 0.00 -1.24 -0.68 119.26 120.00 3fkj h ALA 144 Ca 0.26 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.99 3fkj h ALA 144 Cb 0.06 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 3fkj h ALA 144 CO -0.04 0.17 0.01 1.25 0.00 0.00 0.00 179.25 180.64 3fkj h LEU 145 N 0.20 -0.22 -0.08 0.00 5.85 -0.34 -2.08 115.31 118.63 3fkj h LEU 145 Ca 0.05 0.13 -0.25 0.00 0.84 0.00 0.00 57.88 58.66 3fkj h LEU 145 Cb 0.59 0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.87 3fkj h LEU 145 CO 0.03 -0.08 -0.98 -0.33 -0.34 0.00 0.00 178.44 176.74 3fkj h GLU 146 N 0.13 0.61 -0.03 1.25 4.39 -1.25 0.20 114.58 119.88 3fkj h GLU 146 Ca 0.29 -0.64 0.03 0.00 0.34 0.00 0.00 59.36 59.38 3fkj h GLU 146 Cb 0.45 0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 3fkj h GLU 146 CO -0.47 1.24 -0.14 0.82 -1.16 0.00 0.00 179.01 179.31 3fkj h ILE 147 N 0.35 0.66 -0.09 3.13 2.04 -0.97 0.27 117.51 122.90 3fkj h ILE 147 Ca -0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 3fkj h ILE 147 Cb 1.62 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3fkj h ILE 147 CO 0.19 0.00 0.03 0.25 0.00 0.00 0.00 178.15 178.62 3fkj h LEU 148 N -0.21 0.12 -0.54 1.44 5.85 -1.32 -2.34 115.31 118.30 3fkj h LEU 148 Ca 0.06 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 3fkj h LEU 148 Cb 0.29 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fkj h LEU 148 CO -0.15 0.27 0.24 0.00 -0.34 0.00 0.00 178.44 178.45 3fkj h ALA 149 N 0.86 0.71 0.00 1.25 0.00 -0.48 0.23 119.26 121.82 3fkj h ALA 149 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fkj h ALA 149 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3fkj h ALA 149 CO -0.00 0.30 -0.04 1.04 0.00 0.00 0.00 179.25 180.55 3fkj n GLN 150 N -4.54 0.01 0.00 0.00 6.02 0.07 -2.65 117.38 116.29 3fkj n GLN 150 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 3fkj n GLN 150 Cb 0.14 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.89 3fkj n GLN 150 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3fkj n THR 151 N -1.52 0.00 0.12 5.09 -2.24 -0.89 -4.84 114.28 110.00 3fkj n THR 151 Ca 0.07 0.13 0.01 0.00 -2.27 0.00 0.00 64.05 61.99 3fkj n THR 151 Cb 0.34 -1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 67.55 3fkj n THR 151 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3fkj h GLU 152 N 0.00 0.00 0.00 -0.78 4.81 -1.53 -3.51 114.58 113.57 3fkj h GLU 152 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3fkj h GLU 152 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3fkj h GLU 152 CO 0.00 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.22 3fkj n GLY 153 N 1.26 0.39 2.66 1.92 0.00 0.70 -5.00 105.19 107.13 3fkj n GLY 153 Ca 0.00 -1.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 3fkj n GLY 153 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3fkj s TYR 154 N -2.80 0.34 0.48 1.61 5.04 -1.26 -4.52 117.35 116.25 3fkj s TYR 154 Ca 0.00 -0.23 0.14 0.00 -2.44 0.00 0.00 57.07 54.54 3fkj s TYR 154 Cb 0.00 -0.70 1.14 0.00 0.35 0.00 0.00 41.96 42.75 3fkj s TYR 154 CO 0.00 -0.42 2.08 0.00 -1.34 0.00 0.00 175.55 175.87 3fkj h ALA 155 N 8.39 1.99 -0.79 3.97 0.00 -1.99 -2.43 119.26 128.39 3fkj h ALA 155 Ca -0.15 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.45 3fkj h ALA 155 Cb 1.13 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 3fkj h ALA 155 CO 0.26 -0.03 0.38 1.04 0.00 0.00 0.00 179.25 180.90 3fkj n GLN 156 N -4.49 3.17 -0.06 0.00 3.00 -1.26 -4.66 117.38 113.07 3fkj n GLN 156 Ca 0.02 -2.90 -0.08 0.00 -0.01 0.00 0.00 57.00 54.03 3fkj n GLN 156 Cb 0.18 -2.16 -0.01 0.00 0.00 0.00 0.00 30.24 28.25 3fkj n GLN 156 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.06 176.14 3fkj h TYR 157 N 2.05 -0.58 -0.36 1.08 3.20 -1.87 0.69 116.97 121.18 3fkj h TYR 157 Ca 0.37 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.12 3fkj h TYR 157 Cb 2.44 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 41.01 3fkj h TYR 157 CO 1.33 -0.30 -0.40 -0.44 -1.64 0.00 0.00 178.16 176.72 3fkj h ASP 158 N -0.21 0.94 0.04 -2.11 3.32 -1.86 -0.04 116.42 116.50 3fkj h ASP 158 Ca 0.15 -0.43 -0.04 0.00 0.02 0.00 0.00 57.03 56.73 3fkj h ASP 158 Cb 0.44 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3fkj h ASP 158 CO -0.40 1.21 -0.12 -0.08 -1.72 0.00 0.00 179.24 178.13 3fkj h GLU 159 N 0.71 0.18 0.13 3.56 4.57 -1.77 -0.36 114.58 121.59 3fkj h GLU 159 Ca 0.06 -0.04 -0.28 0.00 -1.18 0.00 0.00 59.36 57.92 3fkj h GLU 159 Cb 0.98 -0.03 0.01 0.00 -0.16 0.00 0.00 28.75 29.55 3fkj h GLU 159 CO 0.09 0.30 -1.23 1.25 -1.18 0.00 0.00 179.01 178.24 3fkj h LEU 160 N 0.17 0.51 -0.87 1.64 6.46 -0.64 -1.57 115.31 121.01 3fkj h LEU 160 Ca 0.04 -0.52 -0.11 0.00 -0.12 0.00 0.00 57.88 57.17 3fkj h LEU 160 Cb 0.32 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3fkj h LEU 160 CO 0.02 1.39 -0.32 0.58 -0.62 0.00 0.00 178.44 179.50 3fkj h VAL 161 N 0.11 1.28 0.15 1.05 2.07 -0.54 -0.59 116.25 119.79 3fkj h VAL 161 Ca -0.14 -1.39 -0.29 0.00 0.82 0.00 0.00 66.70 65.70 3fkj h VAL 161 Cb 1.94 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 33.18 3fkj h VAL 161 CO 0.21 0.44 -1.29 0.77 0.02 0.00 0.00 177.57 177.72 3fkj h SER 162 N 0.40 0.54 -0.45 0.57 4.64 -1.16 -1.24 113.55 116.84 3fkj h SER 162 Ca 0.05 -0.57 0.09 0.00 -0.47 0.00 0.00 61.79 60.90 3fkj h SER 162 Cb 0.75 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 3fkj h SER 162 CO 0.06 1.44 -0.16 0.00 -0.87 0.00 0.00 176.83 177.30 3fkj h ALA 163 N 0.48 0.22 -0.12 5.18 0.00 -1.18 -1.55 119.26 122.29 3fkj h ALA 163 Ca -0.16 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3fkj h ALA 163 Cb 2.00 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 3fkj h ALA 163 CO 0.22 -0.50 -0.15 0.35 0.00 0.00 0.00 179.25 179.18 3fkj h PHE 164 N -0.06 0.19 -0.59 0.00 3.04 -0.94 -0.50 116.94 118.09 3fkj h PHE 164 Ca 0.22 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.13 3fkj h PHE 164 Cb 0.39 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.82 3fkj h PHE 164 CO -0.43 0.33 0.29 0.78 -2.02 0.00 0.00 178.31 177.26 3fkj h GLY 165 N 0.72 0.89 1.03 2.40 0.00 -0.30 -2.64 103.07 105.16 3fkj h GLY 165 Ca 0.04 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3fkj h GLY 165 CO 0.02 0.39 -0.19 0.54 0.00 0.00 0.00 176.54 177.30 3fkj n ARG 166 N -4.36 0.45 -0.07 4.80 1.74 -0.25 -4.37 116.66 114.59 3fkj n ARG 166 Ca 0.05 -0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 56.87 3fkj n ARG 166 Cb 0.13 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 3fkj n ARG 166 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3fkj h PHE 167 N 0.43 0.88 -0.85 -1.55 3.57 -1.03 -2.34 116.94 116.06 3fkj h PHE 167 Ca 0.00 -0.23 0.09 0.00 3.53 0.00 0.00 57.97 61.36 3fkj h PHE 167 Cb 0.43 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 3fkj h PHE 167 CO 0.00 0.98 0.50 1.03 -2.23 0.00 0.00 178.31 178.58 3fkj h SER 168 N 0.64 0.73 -0.27 0.41 0.87 -1.76 0.31 113.55 114.47 3fkj h SER 168 Ca 0.07 0.04 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3fkj h SER 168 Cb 0.85 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.70 3fkj h SER 168 CO 0.07 0.42 -0.12 0.44 -0.53 0.00 0.00 176.83 177.12 3fkj h ASP 169 N 0.84 0.57 -0.40 6.23 3.32 -1.73 -1.70 116.42 123.55 3fkj h ASP 169 Ca 0.41 -0.40 0.01 0.00 0.02 0.00 0.00 57.03 57.06 3fkj h ASP 169 Cb 0.35 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3fkj h ASP 169 CO -0.24 0.84 0.26 0.58 -1.72 0.00 0.00 179.24 178.97 3fkj h VAL 170 N 0.30 1.09 -0.06 -1.35 2.07 -1.09 -1.09 116.25 116.12 3fkj h VAL 170 Ca 0.06 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3fkj h VAL 170 Cb 0.62 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3fkj h VAL 170 CO 0.04 0.10 -0.06 0.58 0.02 0.00 0.00 177.57 178.24 3fkj h VAL 171 N 0.54 0.82 -0.48 2.57 2.07 -0.83 0.89 116.25 121.84 3fkj h VAL 171 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.66 3fkj h VAL 171 Cb -0.05 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3fkj h VAL 171 CO -0.04 0.00 0.25 0.45 0.02 0.00 0.00 177.57 178.25 3fkj h HIS 172 N -0.08 0.67 -0.81 1.57 -0.00 -1.20 -0.23 115.15 115.07 3fkj h HIS 172 Ca 0.05 -0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.47 3fkj h HIS 172 Cb 0.15 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.28 3fkj h HIS 172 CO -0.16 0.51 0.49 0.78 -0.00 0.00 0.00 177.93 179.54 3fkj h GLY 173 N 0.63 1.23 0.85 2.45 0.00 -0.97 -1.65 103.07 105.62 3fkj h GLY 173 Ca 0.17 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 3fkj h GLY 173 CO -0.03 0.21 -0.23 0.00 0.00 0.00 0.00 176.54 176.49 3fkj h ALA 174 N 1.41 0.30 -0.67 3.60 0.00 -0.38 -1.37 119.26 122.16 3fkj h ALA 174 Ca 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3fkj h ALA 174 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3fkj h ALA 174 CO -0.20 0.26 0.26 1.96 0.00 0.00 0.00 179.25 181.53 3fkj h GLN 175 N 0.19 0.98 -0.03 0.00 4.20 -0.88 -2.26 115.11 117.32 3fkj h GLN 175 Ca 0.03 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3fkj h GLN 175 Cb 0.78 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 3fkj h GLN 175 CO 0.06 0.81 0.01 -0.09 -0.67 0.00 0.00 178.83 178.94 3fkj h ARG 176 N 0.96 0.06 -0.95 1.46 2.43 -1.29 -3.20 114.38 113.85 3fkj h ARG 176 Ca 0.22 -0.01 0.24 0.00 -0.81 0.00 0.00 59.98 59.62 3fkj h ARG 176 Cb 0.20 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.62 3fkj h ARG 176 CO -0.02 0.29 0.48 0.37 -1.51 0.00 0.00 179.97 179.58 3fkj h GLN 177 N -0.18 0.46 -0.01 0.20 4.15 -0.95 -2.69 115.11 116.08 3fkj h GLN 177 Ca 0.01 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.40 3fkj h GLN 177 Cb 0.26 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3fkj h GLN 177 CO 0.00 0.30 -0.14 1.33 -1.93 0.00 0.00 178.83 178.39 3fkj n VAL 178 N -4.98 0.00 -0.21 2.39 0.24 -0.87 -4.46 118.33 110.43 3fkj n VAL 178 Ca 0.25 -0.19 0.01 0.00 -2.04 0.00 0.00 64.34 62.37 3fkj n VAL 178 Cb 0.71 0.46 0.09 0.00 -1.47 0.00 0.00 33.84 33.63 3fkj n VAL 178 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 3fkj h GLN 179 N 1.76 0.06 -0.03 7.34 1.08 -1.52 0.96 115.11 124.75 3fkj h GLN 179 Ca 0.00 -0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 3fkj h GLN 179 Cb 0.51 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 3fkj h GLN 179 CO 0.00 0.04 -0.28 1.49 -0.95 0.00 0.00 178.83 179.12 3fkj h GLU 180 N 0.06 0.25 -0.86 1.46 4.81 -1.83 -2.86 114.58 115.60 3fkj h GLU 180 Ca 0.32 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 3fkj h GLU 180 Cb 0.52 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 3fkj h GLU 180 CO -0.60 0.90 0.56 0.22 -0.73 0.00 0.00 179.01 179.36 3fkj h ASP 181 N -0.33 0.86 -0.38 1.04 3.58 -1.75 -1.45 116.42 117.99 3fkj h ASP 181 Ca -0.03 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 3fkj h ASP 181 Cb 0.98 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 3fkj h ASP 181 CO 0.06 0.56 0.10 0.00 -2.88 0.00 0.00 179.24 177.08 3fkj h ALA 182 N 1.53 1.33 -0.15 -0.78 0.00 -0.74 0.32 119.26 120.77 3fkj h ALA 182 Ca 0.36 -0.18 -0.23 0.00 0.00 0.00 0.00 54.91 54.86 3fkj h ALA 182 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.78 3fkj h ALA 182 CO -0.13 0.47 -0.79 1.96 0.00 0.00 0.00 179.25 180.77 3fkj h GLN 183 N 0.66 0.80 -0.28 0.00 1.08 -1.17 -1.41 115.11 114.79 3fkj h GLN 183 Ca 0.15 -0.66 -0.02 0.00 -1.45 0.00 0.00 58.65 56.67 3fkj h GLN 183 Cb 0.27 0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3fkj h GLN 183 CO -0.00 1.26 0.11 -0.09 -0.95 0.00 0.00 178.83 179.16 3fkj h ARG 184 N 0.55 0.43 0.05 1.46 2.43 -0.90 -2.05 114.38 116.35 3fkj h ARG 184 Ca -0.05 -0.08 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3fkj h ARG 184 Cb 1.42 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.85 3fkj h ARG 184 CO 0.16 0.46 -0.32 0.35 -1.51 0.00 0.00 179.97 179.11 3fkj h PHE 185 N 0.31 -0.86 -0.41 2.20 3.57 -0.33 -1.60 116.94 119.81 3fkj h PHE 185 Ca 0.09 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.65 3fkj h PHE 185 Cb 0.19 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3fkj h PHE 185 CO -0.01 -0.41 0.20 0.00 -2.23 0.00 0.00 178.31 175.86 3fkj h ALA 186 N 0.20 0.51 -0.31 2.41 0.00 -1.22 0.18 119.26 121.05 3fkj h ALA 186 Ca 0.05 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.03 3fkj h ALA 186 Cb 0.56 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3fkj h ALA 186 CO -0.23 -0.16 -0.01 0.00 0.00 0.00 0.00 179.25 178.85 3fkj h ALA 187 N 1.22 0.27 0.00 0.00 0.00 -1.24 -2.35 119.26 117.16 3fkj h ALA 187 Ca 0.18 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3fkj h ALA 187 Cb 0.09 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3fkj h ALA 187 CO -0.13 -0.41 0.00 0.93 0.00 0.00 0.00 179.25 179.63 3fkj h GLU 188 N 0.08 0.00 -0.01 0.00 5.08 -0.65 -3.35 114.58 115.73 3fkj h GLU 188 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3fkj h GLU 188 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fkj h GLU 188 CO -0.26 0.00 -0.04 0.91 -1.00 0.00 0.00 179.01 178.62 3fkj n TRP 189 N -2.71 0.00 0.31 4.33 7.02 0.59 -4.73 117.44 122.25 3fkj n TRP 189 Ca 0.04 0.00 0.20 0.00 -1.02 0.00 0.00 57.50 56.72 3fkj n TRP 189 Cb 0.45 0.00 0.99 0.00 -2.42 0.00 0.00 31.31 30.33 3fkj n TRP 189 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3fkj h LYS 190 N 1.24 0.00 -0.16 -0.99 2.10 -1.57 -2.63 116.57 114.56 3fkj h LYS 190 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fkj h LYS 190 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 3fkj h LYS 190 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3fkj n ASP 191 N -3.11 2.83 -4.74 7.07 8.00 -1.26 -4.83 116.55 120.51 3fkj n ASP 191 Ca -0.02 -1.85 -0.41 0.00 0.71 0.00 0.00 54.79 53.23 3fkj n ASP 191 Cb 0.17 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 3fkj n ASP 191 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fkj s GLU 192 N -1.46 4.43 -0.03 -1.24 0.41 -0.99 -4.94 118.70 114.87 3fkj s GLU 192 Ca 0.26 2.02 0.22 0.00 -0.41 0.00 0.00 54.97 57.06 3fkj s GLU 192 Cb 0.17 -3.19 -0.33 0.00 -1.78 0.00 0.00 34.13 29.00 3fkj s GLU 192 CO 0.25 -0.17 0.47 1.63 -0.49 0.00 0.00 175.26 176.95 3fkj n LYS 193 N 2.23 0.65 -3.83 1.61 4.76 -1.26 -4.89 118.16 117.43 3fkj n LYS 193 Ca 0.04 -0.20 -0.19 0.00 -2.87 0.00 0.00 58.31 55.10 3fkj n LYS 193 Cb 0.43 -1.51 -0.17 0.00 -1.84 0.00 0.00 35.03 31.94 3fkj n LYS 193 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3fkj s VAL 194 N -3.50 0.14 -0.07 -0.18 1.01 -1.26 -1.66 120.40 114.89 3fkj s VAL 194 Ca -0.08 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3fkj s VAL 194 Cb 0.14 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.24 3fkj s VAL 194 CO 0.90 0.18 -0.08 -0.69 0.00 0.00 0.00 175.10 175.40 3fkj s VAL 195 N 1.49 0.91 0.00 2.92 1.01 0.29 -4.42 120.40 122.60 3fkj s VAL 195 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3fkj s VAL 195 Cb -0.13 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3fkj s VAL 195 CO -0.03 0.32 0.00 -1.22 0.00 0.00 0.00 175.10 174.17 3fkj n TYR 196 N 4.23 -3.18 0.00 5.22 4.01 -0.37 -3.21 117.16 123.87 3fkj n TYR 196 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 3fkj n TYR 196 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 3fkj n TYR 196 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fkj n GLY 199 N 5.00 1.97 3.38 2.72 0.00 -1.17 -0.46 105.19 116.62 3fkj n GLY 199 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3fkj n GLY 199 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fkj s SER 200 N 0.00 0.59 0.08 1.61 1.04 -1.26 -0.66 113.70 115.10 3fkj s SER 200 Ca 0.00 -1.39 0.00 0.00 0.48 0.00 0.00 55.95 55.04 3fkj s SER 200 Cb 0.00 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3fkj s SER 200 CO 0.00 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.76 3fkj n GLY 201 N -0.44 2.06 0.17 7.32 0.00 -1.26 -0.57 105.19 112.47 3fkj n GLY 201 Ca 0.02 0.42 0.13 0.00 0.00 0.00 0.00 46.02 46.60 3fkj n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fkj h PRO 202 N 0.00 0.00 -0.10 1.61 0.13 -1.94 -3.16 132.00 128.55 3fkj h PRO 202 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3fkj h PRO 202 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3fkj h PRO 202 CO 0.00 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 178.20 3fkj n SER 203 N -2.57 2.60 -0.19 1.44 7.64 0.26 -3.36 113.62 119.44 3fkj n SER 203 Ca 0.03 -1.85 -0.09 0.00 1.01 0.00 0.00 58.87 57.96 3fkj n SER 203 Cb 0.36 -0.05 0.01 0.00 -1.01 0.00 0.00 64.21 63.52 3fkj n SER 203 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3fkj h PHE 204 N 3.89 1.02 -0.75 1.43 3.57 -1.49 -2.20 116.94 122.42 3fkj h PHE 204 Ca 0.00 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 3fkj h PHE 204 Cb 0.83 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3fkj h PHE 204 CO 0.05 0.92 0.44 0.78 -2.23 0.00 0.00 178.31 178.28 3fkj h GLY 205 N 0.82 1.09 1.25 2.40 0.00 -1.84 -1.17 103.07 105.62 3fkj h GLY 205 Ca 0.16 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3fkj h GLY 205 CO 0.02 0.44 0.35 0.00 0.00 0.00 0.00 176.54 177.35 3fkj h ALA 206 N 1.23 1.31 -0.20 3.60 0.00 -1.80 0.14 119.26 123.54 3fkj h ALA 206 Ca 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fkj h ALA 206 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3fkj h ALA 206 CO -0.05 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.77 3fkj h ALA 207 N 1.41 0.27 -0.67 0.00 0.00 -0.72 -1.73 119.26 117.82 3fkj h ALA 207 Ca 0.24 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3fkj h ALA 207 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3fkj h ALA 207 CO -0.03 -0.05 0.24 1.25 0.00 0.00 0.00 179.25 180.65 3fkj h HIS 208 N 0.12 1.05 -0.55 0.00 2.76 -0.98 -2.36 115.15 115.18 3fkj h HIS 208 Ca 0.06 -0.09 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3fkj h HIS 208 Cb 0.34 -0.31 -0.03 0.00 1.55 0.00 0.00 27.41 28.97 3fkj h HIS 208 CO 0.02 0.84 0.27 0.37 -1.30 0.00 0.00 177.93 178.13 3fkj h GLN 209 N 0.96 0.79 -0.77 5.26 4.15 -0.62 -0.92 115.11 123.97 3fkj h GLN 209 Ca 0.22 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 3fkj h GLN 209 Cb 0.26 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 3fkj h GLN 209 CO -0.01 0.65 0.42 1.49 -1.93 0.00 0.00 178.83 179.44 3fkj h GLU 210 N 0.74 1.08 0.28 1.69 4.57 -1.22 0.15 114.58 121.87 3fkj h GLU 210 Ca 0.19 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3fkj h GLU 210 Cb 0.11 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 3fkj h GLU 210 CO -0.02 0.80 -0.14 1.03 -1.18 0.00 0.00 179.01 179.50 3fkj h SER 211 N 1.07 -0.32 0.39 1.04 0.87 -0.94 0.19 113.55 115.84 3fkj h SER 211 Ca 0.27 -0.04 -0.31 0.00 -1.23 0.00 0.00 61.79 60.48 3fkj h SER 211 Cb 0.04 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3fkj h SER 211 CO -0.04 -0.17 -1.70 0.16 -0.53 0.00 0.00 176.83 174.55 3fkj h ILE 212 N -0.45 0.93 0.00 2.23 3.07 -1.05 -2.22 117.51 120.02 3fkj h ILE 212 Ca -0.04 -2.66 0.00 0.00 1.55 0.00 0.00 64.86 63.71 3fkj h ILE 212 Cb 0.34 2.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 3fkj h ILE 212 CO 0.06 0.74 -1.19 0.00 -1.05 0.00 0.00 178.15 176.71 3fkj n ILE 214 N -1.95 1.12 0.00 0.00 2.08 -0.68 -4.45 119.36 115.47 3fkj n ILE 214 Ca 0.01 0.27 -0.13 0.00 0.56 0.00 0.00 62.75 63.46 3fkj n ILE 214 Cb 0.44 -1.73 -0.10 0.00 -0.75 0.00 0.00 39.64 37.51 3fkj n ILE 214 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 3fkj h LEU 215 N -0.23 -0.06 0.40 1.39 3.38 -0.70 -1.19 115.31 118.31 3fkj h LEU 215 Ca -0.03 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 3fkj h LEU 215 Cb 0.40 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3fkj h LEU 215 CO -0.02 0.51 -0.19 -0.07 0.09 0.00 0.00 178.44 178.75 3fkj h LEU 216 N -0.65 -0.46 0.00 1.67 3.38 -1.33 0.21 115.31 118.14 3fkj h LEU 216 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3fkj h LEU 216 Cb 0.56 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 3fkj h LEU 216 CO 0.01 -0.03 0.00 1.21 0.09 0.00 0.00 178.44 179.72 3fkj n GLU 217 N -5.15 0.40 0.00 1.13 2.13 -1.16 -1.98 120.64 116.01 3fkj n GLU 217 Ca -0.09 0.03 0.00 0.00 0.66 0.00 0.00 57.16 57.76 3fkj n GLU 217 Cb 0.27 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.48 3fkj n GLU 217 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3fkj n GLN 219 N -1.06 0.00 -3.98 5.31 1.13 -0.45 -4.83 117.38 113.51 3fkj n GLN 219 Ca 0.10 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.88 3fkj n GLN 219 Cb 0.06 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.40 3fkj n GLN 219 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 3fkj n TRP 220 N 0.00 -1.77 -4.26 1.08 8.01 -0.41 -4.99 117.44 115.11 3fkj n TRP 220 Ca 0.00 0.79 -0.34 0.00 -1.31 0.00 0.00 57.50 56.64 3fkj n TRP 220 Cb 0.00 -3.67 -0.12 0.00 -2.01 0.00 0.00 31.31 25.51 3fkj n TRP 220 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 3fkj s ILE 221 N -3.71 4.05 0.34 -0.99 1.01 0.62 -4.99 121.20 117.53 3fkj s ILE 221 Ca 0.24 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 3fkj s ILE 221 Cb -0.12 -2.80 -0.11 0.00 0.01 0.00 0.00 42.46 39.44 3fkj s ILE 221 CO 0.88 0.47 1.50 0.59 0.00 0.00 0.00 174.94 178.39 3fkj n ASN 222 N 3.71 3.70 -3.54 3.58 3.02 -0.67 -3.09 115.26 121.97 3fkj n ASN 222 Ca -0.17 1.20 -0.16 0.00 -0.03 0.00 0.00 54.58 55.42 3fkj n ASN 222 Cb 0.52 -1.60 -0.06 0.00 -0.61 0.00 0.00 39.78 38.04 3fkj n ASN 222 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3fkj s SER 223 N 0.06 -0.62 0.09 6.41 0.15 -1.26 -0.55 113.70 117.99 3fkj s SER 223 Ca 0.57 0.74 0.04 0.00 0.70 0.00 0.00 55.95 58.00 3fkj s SER 223 Cb -0.49 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 3fkj s SER 223 CO 0.59 -0.52 -0.11 0.00 1.20 0.00 0.00 173.24 174.39 3fkj s ALA 224 N -1.00 1.08 0.03 5.45 0.00 -1.20 -4.95 121.76 121.19 3fkj s ALA 224 Ca -0.08 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 3fkj s ALA 224 Cb -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.06 3fkj s ALA 224 CO 0.07 0.03 0.29 -1.54 0.00 0.00 0.00 175.76 174.61 3fkj s SER 225 N -2.16 6.50 -0.07 0.00 1.04 -1.26 -4.33 113.70 113.42 3fkj s SER 225 Ca 0.02 0.56 -0.00 0.00 0.48 0.00 0.00 55.95 57.01 3fkj s SER 225 Cb -0.06 -2.09 0.02 0.00 0.10 0.00 0.00 66.02 64.00 3fkj s SER 225 CO 0.01 0.22 -0.03 -0.63 0.98 0.00 0.00 173.24 173.78 3fkj s ILE 226 N -1.36 0.58 0.25 -1.02 1.01 -1.26 -5.06 121.20 114.33 3fkj s ILE 226 Ca 0.30 -0.06 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 3fkj s ILE 226 Cb -0.13 -0.66 -0.10 0.00 0.01 0.00 0.00 42.46 41.58 3fkj s ILE 226 CO 0.18 0.27 1.44 -2.28 0.00 0.00 0.00 174.94 174.55 3fkj s HIS 227 N 1.51 3.02 0.37 3.97 5.65 -1.26 -3.04 115.29 125.51 3fkj s HIS 227 Ca -0.01 1.02 0.12 0.00 0.25 0.00 0.00 55.06 56.44 3fkj s HIS 227 Cb -0.13 -3.82 0.93 0.00 -1.18 0.00 0.00 32.58 28.38 3fkj s HIS 227 CO -0.04 -2.68 1.82 0.77 -0.65 0.00 0.00 174.74 173.97 3fkj h SER 228 N 5.08 0.58 -0.22 9.88 0.02 -1.24 0.69 113.55 128.34 3fkj h SER 228 Ca -0.46 0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.42 3fkj h SER 228 Cb 1.22 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3fkj h SER 228 CO 0.78 0.22 -0.34 1.23 -1.14 0.00 0.00 176.83 177.58 3fkj h GLY 229 N 0.57 0.80 2.00 -3.77 0.00 -1.83 -3.28 103.07 97.56 3fkj h GLY 229 Ca 0.52 -0.77 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3fkj h GLY 229 CO -0.26 0.70 -0.44 0.83 0.00 0.00 0.00 176.54 177.36 3fkj h GLU 230 N 0.62 0.00 -0.93 4.80 4.39 -1.29 -3.32 114.58 118.84 3fkj h GLU 230 Ca 0.06 0.00 0.26 0.00 0.34 0.00 0.00 59.36 60.02 3fkj h GLU 230 Cb 0.87 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.35 3fkj h GLU 230 CO 0.08 0.44 0.09 -0.92 -1.16 0.00 0.00 179.01 177.53 3fkj h TYR 231 N 0.00 0.06 -0.12 4.33 3.20 -1.28 -0.23 116.97 122.94 3fkj h TYR 231 Ca -0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3fkj h TYR 231 Cb 1.01 0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.40 3fkj h TYR 231 CO 0.00 -0.37 0.00 1.19 -1.64 0.00 0.00 178.16 177.34 3fkj n PHE 232 N -5.41 0.16 -2.31 -3.82 3.72 -1.25 -0.22 117.46 108.32 3fkj n PHE 232 Ca 0.22 -0.08 -0.15 0.00 -0.05 0.00 0.00 57.45 57.40 3fkj n PHE 232 Cb 0.73 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 39.30 3fkj n PHE 232 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3fkj n HIS 233 N -0.17 2.16 0.00 1.38 8.25 -0.10 -4.96 115.22 121.78 3fkj n HIS 233 Ca 0.06 -2.17 0.00 0.00 -0.26 0.00 0.00 57.72 55.36 3fkj n HIS 233 Cb 0.12 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3fkj n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fkj n GLY 234 N -0.67 2.37 0.34 -1.41 0.00 -1.23 -4.99 105.19 99.59 3fkj n GLY 234 Ca 0.30 -0.35 0.17 0.00 0.00 0.00 0.00 46.02 46.14 3fkj n GLY 234 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3fkj h PRO 235 N 0.00 0.50 -0.31 1.61 0.11 -1.75 -2.43 132.00 129.73 3fkj h PRO 235 Ca 0.00 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.17 3fkj h PRO 235 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3fkj h PRO 235 CO 0.00 0.33 0.38 0.27 -0.21 0.00 0.00 178.00 178.77 3fkj h PHE 236 N 0.52 0.00 -0.03 0.65 -0.00 -0.91 -1.31 116.94 115.85 3fkj h PHE 236 Ca 0.63 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 58.61 3fkj h PHE 236 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.16 3fkj h PHE 236 CO -0.04 0.00 0.09 0.93 -0.00 0.00 0.00 178.31 179.29 3fkj h GLU 237 N 0.00 0.00 0.00 6.09 4.39 -1.71 -1.78 114.58 121.58 3fkj h GLU 237 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 3fkj h GLU 237 Cb 0.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 3fkj h GLU 237 CO -0.00 0.00 0.00 0.97 -1.16 0.00 0.00 179.01 178.82 3fkj h ILE 238 N 0.00 0.00 -3.57 3.13 6.09 -1.45 -3.45 117.51 118.26 3fkj h ILE 238 Ca 0.02 -0.47 -0.52 0.00 -1.37 0.00 0.00 64.86 62.51 3fkj h ILE 238 Cb 0.20 1.40 0.04 0.00 0.47 0.00 0.00 36.82 38.93 3fkj h ILE 238 CO -0.00 0.00 0.64 -0.89 -3.07 0.00 0.00 178.15 174.83 3fkj s THR 239 N -3.50 3.07 0.19 2.19 2.01 -0.67 -4.95 115.64 113.98 3fkj s THR 239 Ca 0.03 0.95 -0.24 0.00 0.31 0.00 0.00 61.69 62.74 3fkj s THR 239 Cb 0.09 -3.60 0.06 0.00 0.01 0.00 0.00 72.50 69.05 3fkj s THR 239 CO 0.51 0.17 0.92 -1.83 -0.69 0.00 0.00 174.62 173.71 3fkj s GLU 240 N -0.74 1.36 0.14 4.92 -1.05 -1.26 -5.06 118.70 117.01 3fkj s GLU 240 Ca 0.53 -0.77 -0.34 0.00 -0.15 0.00 0.00 54.97 54.24 3fkj s GLU 240 Cb -0.37 0.45 -0.14 0.00 -0.44 0.00 0.00 34.13 33.63 3fkj s GLU 240 CO 0.43 -0.62 1.55 -2.30 0.95 0.00 0.00 175.26 175.27 3fkj n PRO 241 N -0.49 2.00 -0.04 -4.83 -0.02 -1.13 -2.10 135.00 128.38 3fkj n PRO 241 Ca -0.05 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3fkj n PRO 241 Cb 0.60 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3fkj n PRO 241 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3fkj n GLY 242 N 3.32 0.69 3.67 -1.23 0.00 0.03 -4.94 105.19 106.73 3fkj n GLY 242 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3fkj n GLY 242 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3fkj n THR 243 N -2.00 0.64 -2.75 2.61 -1.04 -0.89 -4.12 114.28 106.72 3fkj n THR 243 Ca 0.00 -0.11 -0.42 0.00 -2.04 0.00 0.00 64.05 61.47 3fkj n THR 243 Cb 0.00 -2.24 -0.03 0.00 -1.82 0.00 0.00 70.33 66.24 3fkj n THR 243 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3fkj s PRO 244 N 3.89 4.28 -0.06 -2.82 0.02 -1.26 -0.86 135.00 138.19 3fkj s PRO 244 Ca 0.87 1.23 0.04 0.00 0.02 0.00 0.00 61.00 63.16 3fkj s PRO 244 Cb -0.46 -3.61 -0.00 0.00 0.02 0.00 0.00 34.50 30.45 3fkj s PRO 244 CO 0.41 -0.49 -0.20 -0.06 -0.33 0.00 0.00 177.00 176.33 3fkj s PHE 245 N 2.71 2.05 -0.31 6.54 0.08 -0.25 -1.23 117.98 127.57 3fkj s PHE 245 Ca 0.42 -0.69 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 3fkj s PHE 245 Cb -0.16 -1.38 0.05 0.00 -0.57 0.00 0.00 43.02 40.97 3fkj s PHE 245 CO 0.10 -0.26 0.02 0.42 -0.10 0.00 0.00 175.22 175.40 3fkj s ILE 246 N 0.16 3.03 -0.27 0.64 1.01 0.39 -0.89 121.20 125.27 3fkj s ILE 246 Ca -0.09 -1.43 -0.14 0.00 0.00 0.00 0.00 60.65 58.98 3fkj s ILE 246 Cb -0.14 -2.77 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3fkj s ILE 246 CO 0.04 -0.16 0.35 -0.22 0.00 0.00 0.00 174.94 174.96 3fkj s LEU 247 N 1.25 4.04 -0.84 2.97 2.96 -0.66 -4.77 118.68 123.62 3fkj s LEU 247 Ca -0.04 0.26 -0.17 0.00 -0.22 0.00 0.00 54.13 53.96 3fkj s LEU 247 Cb -0.20 -2.39 0.16 0.00 0.50 0.00 0.00 46.19 44.25 3fkj s LEU 247 CO -0.01 -0.17 0.94 -0.76 -1.32 0.00 0.00 176.35 175.02 3fkj s LEU 248 N 2.03 5.70 0.30 -0.68 1.43 -1.26 -1.46 118.68 124.74 3fkj s LEU 248 Ca 0.14 -2.17 -0.28 0.00 -1.03 0.00 0.00 54.13 50.80 3fkj s LEU 248 Cb -0.16 -2.32 -0.09 0.00 0.03 0.00 0.00 46.19 43.65 3fkj s LEU 248 CO 0.10 -0.90 0.99 -1.58 0.23 0.00 0.00 176.35 175.18 3fkj s GLN 249 N 1.81 4.62 0.17 1.70 0.74 -0.02 -4.45 119.66 124.23 3fkj s GLN 249 Ca 0.24 1.49 0.04 0.00 0.05 0.00 0.00 55.36 57.18 3fkj s GLN 249 Cb -0.10 -2.98 -0.04 0.00 1.10 0.00 0.00 33.01 31.00 3fkj s GLN 249 CO -0.07 0.28 0.26 -1.12 -0.55 0.00 0.00 175.29 174.09 3fkj s SER 250 N -1.34 6.13 0.92 6.67 0.01 -1.26 -2.15 113.70 122.68 3fkj s SER 250 Ca 0.47 0.08 -0.14 0.00 1.31 0.00 0.00 55.95 57.67 3fkj s SER 250 Cb -0.24 -1.78 0.18 0.00 0.21 0.00 0.00 66.02 64.39 3fkj s SER 250 CO 0.30 0.04 1.28 -0.94 0.41 0.00 0.00 173.24 174.33 3fkj s SER 251 N -3.33 3.38 0.45 2.44 1.04 -1.26 -4.40 113.70 112.02 3fkj s SER 251 Ca 0.34 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.05 3fkj s SER 251 Cb -0.10 -0.41 0.00 0.00 0.10 0.00 0.00 66.02 65.61 3fkj s SER 251 CO 0.27 -2.56 0.00 0.61 0.98 0.00 0.00 173.24 172.54 3fkj n GLY 252 N -3.64 0.69 0.24 7.32 0.00 -1.26 -4.33 105.19 104.21 3fkj n GLY 252 Ca 0.14 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.36 3fkj n GLY 252 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3fkj h ARG 253 N 0.00 0.29 -0.05 1.61 3.08 -1.99 -2.79 114.38 114.54 3fkj h ARG 253 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3fkj h ARG 253 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3fkj h ARG 253 CO 0.00 0.44 0.00 0.25 -1.07 0.00 0.00 179.97 179.59 3fkj n THR 254 N -4.24 0.04 -0.35 2.04 -2.24 -1.26 -4.41 114.28 103.86 3fkj n THR 254 Ca -0.00 -0.39 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 3fkj n THR 254 Cb 0.29 0.97 0.30 0.00 -2.10 0.00 0.00 70.33 69.79 3fkj n THR 254 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 3fkj h ARG 255 N 3.51 0.75 -0.16 -0.78 2.43 -1.68 -0.16 114.38 118.29 3fkj h ARG 255 Ca 0.00 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3fkj h ARG 255 Cb 0.75 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 3fkj h ARG 255 CO 0.00 0.50 0.12 -1.35 -1.51 0.00 0.00 179.97 177.73 3fkj h PRO 256 N 0.77 0.00 -0.58 0.20 0.11 -1.82 0.39 132.00 131.07 3fkj h PRO 256 Ca 0.55 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.58 3fkj h PRO 256 Cb 0.81 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 3fkj h PRO 256 CO -0.37 0.00 0.02 -0.07 -0.21 0.00 0.00 178.00 177.37 3fkj h LEU 257 N 0.00 0.96 -0.19 2.35 4.07 -1.34 -1.91 115.31 119.25 3fkj h LEU 257 Ca 0.07 -0.26 -0.11 0.00 0.08 0.00 0.00 57.88 57.67 3fkj h LEU 257 Cb 0.31 -0.26 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 3fkj h LEU 257 CO -0.00 1.01 -0.32 0.44 -1.08 0.00 0.00 178.44 178.49 3fkj h ASP 258 N 0.92 0.61 -0.54 -0.43 3.32 -1.23 -2.52 116.42 116.55 3fkj h ASP 258 Ca 0.17 -0.53 0.04 0.00 0.02 0.00 0.00 57.03 56.73 3fkj h ASP 258 Cb 0.51 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3fkj h ASP 258 CO 0.02 1.03 0.30 0.44 -1.72 0.00 0.00 179.24 179.31 3fkj h ASP 259 N 0.22 0.45 -0.86 6.45 3.32 -0.96 -0.47 116.42 124.57 3fkj h ASP 259 Ca 0.01 0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.17 3fkj h ASP 259 Cb 0.90 -0.07 -0.07 0.00 0.22 0.00 0.00 39.33 40.31 3fkj h ASP 259 CO 0.07 0.31 0.51 -0.09 -1.72 0.00 0.00 179.24 178.33 3fkj h ARG 260 N 0.58 0.84 -0.49 3.56 2.43 -1.32 -1.16 114.38 118.82 3fkj h ARG 260 Ca 0.23 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.28 3fkj h ARG 260 Cb 0.10 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3fkj h ARG 260 CO -0.14 0.56 0.03 0.00 -1.51 0.00 0.00 179.97 178.91 3fkj h ALA 261 N 1.46 0.66 -0.63 2.80 0.00 -0.96 -2.81 119.26 119.77 3fkj h ALA 261 Ca 0.41 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3fkj h ALA 261 Cb 0.33 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3fkj h ALA 261 CO -0.23 0.44 0.23 0.82 0.00 0.00 0.00 179.25 180.51 3fkj h ILE 262 N 0.71 1.24 -0.60 0.00 2.04 -0.21 0.08 117.51 120.76 3fkj h ILE 262 Ca 0.14 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 3fkj h ILE 262 Cb 0.48 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3fkj h ILE 262 CO 0.02 0.30 0.29 0.03 0.00 0.00 0.00 178.15 178.79 3fkj h ARG 263 N 0.90 0.85 0.08 2.37 3.08 -1.19 -1.67 114.38 118.79 3fkj h ARG 263 Ca 0.21 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 3fkj h ARG 263 Cb 0.24 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3fkj h ARG 263 CO -0.01 0.65 -0.04 0.35 -1.07 0.00 0.00 179.97 179.85 3fkj h PHE 264 N 0.85 -0.10 -0.68 3.04 3.57 -1.17 -2.47 116.94 119.99 3fkj h PHE 264 Ca 0.21 -0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.85 3fkj h PHE 264 Cb 0.08 0.03 -0.10 0.00 2.79 0.00 0.00 35.95 38.75 3fkj h PHE 264 CO 0.01 0.44 0.13 0.82 -2.23 0.00 0.00 178.31 177.48 3fkj h ILE 265 N -0.90 0.54 -0.26 1.41 2.04 -0.98 -1.64 117.51 117.72 3fkj h ILE 265 Ca -0.01 -0.08 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 3fkj h ILE 265 Cb 0.58 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 3fkj h ILE 265 CO 0.02 0.04 -0.40 -0.33 0.00 0.00 0.00 178.15 177.48 3fkj h GLU 266 N 0.24 0.62 0.00 2.37 5.08 -1.39 0.55 114.58 122.05 3fkj h GLU 266 Ca 0.37 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3fkj h GLU 266 Cb 0.61 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 3fkj h GLU 266 CO -0.49 0.91 -0.11 -0.09 -1.00 0.00 0.00 179.01 178.23 3fkj h ARG 267 N 0.51 0.00 -0.28 2.33 2.43 -0.81 -2.40 114.38 116.17 3fkj h ARG 267 Ca 0.04 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 3fkj h ARG 267 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3fkj h ARG 267 CO 0.08 0.11 -0.01 0.66 -1.51 0.00 0.00 179.97 179.31 3fkj n TYR 268 N -4.18 0.94 -3.69 2.20 4.01 -0.99 -4.99 117.16 110.46 3fkj n TYR 268 Ca -0.03 -1.08 -0.24 0.00 -0.16 0.00 0.00 57.90 56.40 3fkj n TYR 268 Cb 0.19 -0.36 0.05 0.00 -0.31 0.00 0.00 39.34 38.92 3fkj n TYR 268 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3fkj n GLN 269 N -0.74 -6.01 -1.87 -0.72 3.00 -0.74 -2.85 117.38 107.44 3fkj n GLN 269 Ca 0.25 0.70 -0.35 0.00 -0.01 0.00 0.00 57.00 57.58 3fkj n GLN 269 Cb 0.92 -5.53 0.05 0.00 0.00 0.00 0.00 30.24 25.68 3fkj n GLN 269 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3fkj s GLY 270 N -3.85 2.57 -0.76 1.08 0.00 0.11 -0.79 107.32 105.67 3fkj s GLY 270 Ca 0.31 0.90 -0.27 0.00 0.00 0.00 0.00 44.72 45.67 3fkj s GLY 270 CO 0.79 1.29 1.32 1.25 0.00 0.00 0.00 173.10 177.74 3fkj s LYS 271 N -3.56 3.20 -0.24 2.90 2.20 -0.04 -4.67 119.74 119.54 3fkj s LYS 271 Ca 0.75 -0.29 -0.08 0.00 -0.36 0.00 0.00 55.97 55.99 3fkj s LYS 271 Cb -0.28 -4.30 -0.03 0.00 -1.51 0.00 0.00 37.83 31.71 3fkj s LYS 271 CO 0.36 -2.18 0.08 -1.17 -0.36 0.00 0.00 175.35 172.08 3fkj s LEU 272 N 5.80 3.57 -0.33 5.43 2.96 -1.26 -1.09 118.68 133.75 3fkj s LEU 272 Ca 0.37 -0.13 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3fkj s LEU 272 Cb -0.07 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 3fkj s LEU 272 CO 0.13 0.01 0.20 -1.58 -1.32 0.00 0.00 176.35 173.79 3fkj s GLN 273 N 1.33 3.34 -0.20 1.98 2.00 -0.07 -5.00 119.66 123.05 3fkj s GLN 273 Ca 0.05 -0.74 -0.09 0.00 -2.00 0.00 0.00 55.36 52.58 3fkj s GLN 273 Cb -0.15 -3.70 -0.05 0.00 0.80 0.00 0.00 33.01 29.91 3fkj s GLN 273 CO 0.04 -0.47 0.11 -1.17 -0.50 0.00 0.00 175.29 173.30 3fkj s LEU 274 N 1.66 4.07 -0.26 3.68 2.96 -1.26 -1.66 118.68 127.87 3fkj s LEU 274 Ca 0.05 0.17 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3fkj s LEU 274 Cb -0.17 -2.05 0.08 0.00 0.50 0.00 0.00 46.19 44.54 3fkj s LEU 274 CO 0.08 0.17 0.00 -0.63 -1.32 0.00 0.00 176.35 174.66 3fkj s ILE 275 N 0.43 1.40 -0.27 6.68 1.01 -0.54 -4.99 121.20 124.93 3fkj s ILE 275 Ca 0.06 -1.37 -0.07 0.00 0.00 0.00 0.00 60.65 59.27 3fkj s ILE 275 Cb -0.12 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 3fkj s ILE 275 CO -0.01 -0.32 0.07 -0.62 0.00 0.00 0.00 174.94 174.07 3fkj s ASP 276 N 1.41 5.08 0.43 3.58 2.15 -1.26 -0.84 116.67 127.23 3fkj s ASP 276 Ca 0.01 -0.40 0.10 0.00 0.43 0.00 0.00 52.55 52.68 3fkj s ASP 276 Cb -0.18 -1.90 0.93 0.00 -0.30 0.00 0.00 42.92 41.47 3fkj s ASP 276 CO -0.11 -0.10 2.05 0.00 -0.17 0.00 0.00 175.17 176.84 3fkj h ALA 277 N 8.24 1.73 0.00 3.66 0.00 -1.76 -1.96 119.26 129.16 3fkj h ALA 277 Ca -0.36 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3fkj h ALA 277 Cb 1.16 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3fkj h ALA 277 CO 0.59 0.23 0.00 0.22 0.00 0.00 0.00 179.25 180.29 3fkj h ASP 278 N 0.36 0.00 0.63 0.00 3.58 -1.87 -2.11 116.42 117.01 3fkj h ASP 278 Ca 0.09 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.54 3fkj h ASP 278 Cb 0.05 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.10 3fkj h ASP 278 CO -0.01 0.00 -1.29 0.29 -2.88 0.00 0.00 179.24 175.34 3fkj n LYS 279 N -2.55 0.58 -0.35 0.28 4.01 -0.79 -4.37 118.16 114.97 3fkj n LYS 279 Ca 0.02 0.01 0.09 0.00 -0.51 0.00 0.00 58.31 57.93 3fkj n LYS 279 Cb 0.30 -1.71 0.27 0.00 -0.51 0.00 0.00 35.03 33.39 3fkj n LYS 279 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3fkj n LEU 280 N -2.45 3.72 0.00 -0.35 4.77 -0.91 -4.95 117.00 116.82 3fkj n LEU 280 Ca -0.01 -2.12 0.00 0.00 -0.03 0.00 0.00 56.01 53.85 3fkj n LEU 280 Cb 0.54 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3fkj n LEU 280 CO 0.42 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.94 3fkj n GLY 281 N 1.06 1.53 0.21 -0.72 0.00 -1.03 -4.35 105.19 101.90 3fkj n GLY 281 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 3fkj n GLY 281 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fkj h ILE 282 N 0.00 1.01 0.00 -0.61 1.08 -1.66 -1.95 117.51 115.38 3fkj h ILE 282 Ca 0.00 -0.99 -0.02 0.00 -0.39 0.00 0.00 64.86 63.46 3fkj h ILE 282 Cb 0.00 1.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 3fkj h ILE 282 CO 0.00 0.27 -0.08 1.56 -0.69 0.00 0.00 178.15 179.21 3fkj h GLN 283 N 0.00 0.00 0.00 2.37 1.08 -1.81 -2.51 115.11 114.23 3fkj h GLN 283 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 3fkj h GLN 283 Cb 0.54 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3fkj h GLN 283 CO 0.04 0.08 -0.10 -0.44 -0.95 0.00 0.00 178.83 177.45 3fkj h ASP 284 N 0.00 0.00 -0.08 1.46 3.32 -1.76 -3.33 116.42 116.03 3fkj h ASP 284 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3fkj h ASP 284 Cb 0.19 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.73 3fkj h ASP 284 CO 0.01 0.10 -0.06 -0.07 -1.72 0.00 0.00 179.24 177.50 3fkj h LEU 285 N 0.00 0.20 0.00 1.55 3.38 -1.48 -3.48 115.31 115.48 3fkj h LEU 285 Ca -0.00 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.61 3fkj h LEU 285 Cb 1.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3fkj h LEU 285 CO 0.01 0.60 0.45 -0.24 0.09 0.00 0.00 178.44 179.36 3fkj n SER 286 N -4.72 -1.80 -0.00 -0.43 2.88 -1.23 -4.28 113.62 104.03 3fkj n SER 286 Ca -0.07 -2.07 0.02 0.00 -1.33 0.00 0.00 58.87 55.42 3fkj n SER 286 Cb 0.29 2.96 -0.02 0.00 -0.75 0.00 0.00 64.21 66.68 3fkj n SER 286 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3fkj n THR 287 N -0.62 0.00 -0.08 2.46 -2.24 -1.26 -4.48 114.28 108.06 3fkj n THR 287 Ca -0.04 -0.26 -0.07 0.00 -2.27 0.00 0.00 64.05 61.41 3fkj n THR 287 Cb 0.55 0.73 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 3fkj n THR 287 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fkj n ASP 288 N -1.33 1.87 -0.52 3.42 8.00 -1.26 -4.70 116.55 122.03 3fkj n ASP 288 Ca 0.00 0.49 0.06 0.00 0.71 0.00 0.00 54.79 56.04 3fkj n ASP 288 Cb 0.07 -0.81 0.08 0.00 -0.02 0.00 0.00 41.12 40.44 3fkj n ASP 288 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3fkj n VAL 289 N -4.54 0.36 -0.09 2.53 0.24 -1.26 -4.67 118.33 110.90 3fkj n VAL 289 Ca -0.11 -0.68 0.15 0.00 -2.04 0.00 0.00 64.34 61.66 3fkj n VAL 289 Cb 0.39 0.97 0.55 0.00 -1.47 0.00 0.00 33.84 34.28 3fkj n VAL 289 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fkj h GLY 290 N 2.13 0.48 0.15 7.63 0.00 -1.84 -1.56 103.07 110.06 3fkj h GLY 290 Ca 0.00 -0.13 0.25 0.00 0.00 0.00 0.00 47.33 47.45 3fkj h GLY 290 CO 0.00 0.06 0.65 -2.09 0.00 0.00 0.00 176.54 175.16 3fkj h GLU 291 N 0.31 0.19 0.00 4.80 4.81 -1.89 -0.75 114.58 122.04 3fkj h GLU 291 Ca 0.30 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3fkj h GLU 291 Cb 0.77 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3fkj h GLU 291 CO -0.07 0.12 0.00 0.66 -0.73 0.00 0.00 179.01 178.99 3fkj n TYR 292 N -4.40 0.00 1.03 0.92 4.01 -0.59 -2.50 117.16 115.64 3fkj n TYR 292 Ca 0.20 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.06 3fkj n TYR 292 Cb 0.88 -0.48 0.07 0.00 -0.31 0.00 0.00 39.34 39.50 3fkj n TYR 292 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fkj n PHE 293 N -1.48 0.00 -0.27 -0.72 3.01 -0.29 -4.57 117.46 113.13 3fkj n PHE 293 Ca 0.06 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.48 3fkj n PHE 293 Cb 0.25 -0.01 0.11 0.00 -0.01 0.00 0.00 39.48 39.82 3fkj n PHE 293 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fkj h GLY 295 N 1.15 1.00 0.99 0.00 0.00 -1.80 -0.18 103.07 104.24 3fkj h GLY 295 Ca 0.27 -0.76 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3fkj h GLY 295 CO -0.03 0.70 0.23 1.41 0.00 0.00 0.00 176.54 178.84 3fkj h LEU 296 N 0.79 0.43 -0.11 3.11 3.38 -1.77 -0.99 115.31 120.15 3fkj h LEU 296 Ca 0.14 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3fkj h LEU 296 Cb 0.56 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3fkj h LEU 296 CO 0.03 0.34 0.05 0.25 0.09 0.00 0.00 178.44 179.20 3fkj h LEU 297 N 0.48 0.14 -0.60 1.67 5.85 -0.93 -2.79 115.31 119.12 3fkj h LEU 297 Ca 0.13 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.82 3fkj h LEU 297 Cb -0.02 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3fkj h LEU 297 CO -0.03 0.24 0.17 0.45 -0.34 0.00 0.00 178.44 178.93 3fkj h HIS 298 N 0.03 0.28 -0.64 1.25 3.86 -0.87 0.23 115.15 119.29 3fkj h HIS 298 Ca 0.04 0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.37 3fkj h HIS 298 Cb 0.14 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.51 3fkj h HIS 298 CO -0.02 0.02 0.27 -0.91 0.86 0.00 0.00 177.93 178.14 3fkj h ASN 299 N 0.31 0.30 -0.17 2.45 2.35 -0.93 -0.25 115.58 119.65 3fkj h ASN 299 Ca 0.31 0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.97 3fkj h ASN 299 Cb 0.44 0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3fkj h ASN 299 CO -0.37 0.18 -0.55 0.00 -1.65 0.00 0.00 177.43 175.04 3fkj h VAL 301 N 0.36 1.26 0.00 0.00 2.07 -0.53 -2.63 116.25 116.78 3fkj h VAL 301 Ca -0.02 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 3fkj h VAL 301 Cb 1.18 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.53 3fkj h VAL 301 CO 0.12 0.36 -0.06 -0.07 0.02 0.00 0.00 177.57 177.94 3fkj h LEU 302 N 0.99 0.00 -1.25 2.57 3.38 -1.10 -2.47 115.31 117.43 3fkj h LEU 302 Ca 0.21 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.33 3fkj h LEU 302 Cb 0.36 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.03 3fkj h LEU 302 CO 0.00 0.06 0.59 0.44 0.09 0.00 0.00 178.44 179.62 3fkj h ASP 303 N 0.00 0.67 0.04 -0.43 3.32 -1.46 0.10 116.42 118.66 3fkj h ASP 303 Ca -0.00 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 3fkj h ASP 303 Cb 0.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3fkj h ASP 303 CO 0.01 0.32 -0.02 0.58 -1.72 0.00 0.00 179.24 178.41 3fkj h VAL 304 N 0.70 1.17 -0.85 -1.35 2.07 -1.58 -2.48 116.25 113.93 3fkj h VAL 304 Ca 0.47 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 3fkj h VAL 304 Cb 0.77 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 3fkj h VAL 304 CO -0.23 0.17 0.40 1.88 0.02 0.00 0.00 177.57 179.81 3fkj h TYR 305 N -0.34 1.23 -0.45 1.57 -1.99 -1.45 -2.71 116.97 112.83 3fkj h TYR 305 Ca -0.01 -0.06 -0.00 0.00 2.00 0.00 0.00 58.73 60.66 3fkj h TYR 305 Cb 0.32 -0.38 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3fkj h TYR 305 CO 0.02 0.89 0.27 -0.91 -0.00 0.00 0.00 178.16 178.43 3fkj h ASN 306 N 1.22 0.55 0.26 3.88 2.35 -0.84 0.21 115.58 123.21 3fkj h ASN 306 Ca 0.29 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3fkj h ASN 306 Cb 0.13 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.36 3fkj h ASN 306 CO -0.04 0.45 -0.12 0.25 -1.65 0.00 0.00 177.43 176.32 3fkj h LEU 307 N 0.60 -0.29 -0.49 1.61 5.85 -1.39 0.16 115.31 121.36 3fkj h LEU 307 Ca 0.16 -0.10 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3fkj h LEU 307 Cb 0.01 0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3fkj h LEU 307 CO -0.03 -0.08 -0.05 0.00 -0.34 0.00 0.00 178.44 177.94 3fkj h ALA 308 N 0.20 0.41 -0.20 1.25 0.00 -1.45 -0.20 119.26 119.28 3fkj h ALA 308 Ca -0.04 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3fkj h ALA 308 Cb 0.37 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fkj h ALA 308 CO 0.06 -0.41 0.10 1.25 0.00 0.00 0.00 179.25 180.25 3fkj h LEU 309 N 0.06 0.25 -1.06 0.00 5.85 -0.85 -0.22 115.31 119.34 3fkj h LEU 309 Ca 0.24 -0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.97 3fkj h LEU 309 Cb 0.37 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.25 3fkj h LEU 309 CO -0.45 0.29 0.62 0.00 -0.34 0.00 0.00 178.44 178.56 3fkj h ALA 310 N 0.98 1.56 -0.08 1.25 0.00 -0.56 -0.85 119.26 121.56 3fkj h ALA 310 Ca 0.07 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3fkj h ALA 310 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fkj h ALA 310 CO -0.01 0.20 -0.04 1.15 0.00 0.00 0.00 179.25 180.55 3fkj h THR 311 N 0.96 1.33 -0.25 0.00 2.02 -0.64 -1.38 112.91 114.94 3fkj h THR 311 Ca 0.48 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3fkj h THR 311 Cb 0.49 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3fkj h THR 311 CO -0.25 0.30 0.08 0.00 0.37 0.00 0.00 175.52 176.03 3fkj h ALA 312 N 0.62 1.68 -0.11 6.16 0.00 -0.60 -2.37 119.26 124.64 3fkj h ALA 312 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3fkj h ALA 312 Cb 0.50 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3fkj h ALA 312 CO 0.01 0.26 0.00 0.54 0.00 0.00 0.00 179.25 180.06 3fkj n ARG 313 N -4.42 1.79 -4.11 0.00 1.74 -0.37 -4.93 116.66 106.37 3fkj n ARG 313 Ca 0.01 -1.17 -0.34 0.00 -0.77 0.00 0.00 57.85 55.58 3fkj n ARG 313 Cb 0.14 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 30.12 3fkj n ARG 313 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3fkj n ASN 314 N 0.40 -3.66 -3.77 0.55 3.02 -0.80 -4.91 115.26 106.08 3fkj n ASN 314 Ca 0.17 -0.92 -0.29 0.00 -0.03 0.00 0.00 54.58 53.51 3fkj n ASN 314 Cb 0.38 -2.98 -0.13 0.00 -0.61 0.00 0.00 39.78 36.43 3fkj n ASN 314 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3fkj s HIS 315 N -3.25 2.32 0.43 3.10 2.46 -0.59 -5.05 115.29 114.71 3fkj s HIS 315 Ca 0.72 -2.65 -0.25 0.00 0.47 0.00 0.00 55.06 53.35 3fkj s HIS 315 Cb -0.38 -2.12 -0.10 0.00 -0.13 0.00 0.00 32.58 29.85 3fkj s HIS 315 CO 0.88 -0.76 1.18 -2.30 -2.47 0.00 0.00 174.74 171.27 3fkj n PRO 316 N 3.34 1.69 0.23 2.88 -0.02 -1.26 -4.60 135.00 137.26 3fkj n PRO 316 Ca 0.09 0.60 0.16 0.00 -2.02 0.00 0.00 63.50 62.33 3fkj n PRO 316 Cb 0.34 -2.27 0.78 0.00 -0.02 0.00 0.00 33.50 32.33 3fkj n PRO 316 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3fkj h LEU 317 N 1.82 0.00 -0.33 2.45 3.38 -1.93 -1.34 115.31 119.35 3fkj h LEU 317 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3fkj h LEU 317 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3fkj h LEU 317 CO 0.58 0.00 -0.24 0.35 0.09 0.00 0.00 178.44 179.22 3fkj n THR 318 N -2.66 0.00 -1.70 0.22 -2.24 -1.26 -4.88 114.28 101.75 3fkj n THR 318 Ca -0.01 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 3fkj n THR 318 Cb 0.13 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.54 3fkj n THR 318 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3fkj n THR 319 N -0.88 0.17 -3.84 4.28 -1.04 -0.51 -5.02 114.28 107.44 3fkj n THR 319 Ca 0.12 -0.03 -0.12 0.00 -2.04 0.00 0.00 64.05 61.98 3fkj n THR 319 Cb 0.33 -2.05 -0.11 0.00 -1.82 0.00 0.00 70.33 66.68 3fkj n THR 319 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3fkj s ARG 320 N 1.89 0.36 -0.02 -2.82 1.81 -1.26 -4.85 118.95 114.06 3fkj s ARG 320 Ca 0.78 -0.07 0.19 0.00 -1.72 0.00 0.00 55.73 54.91 3fkj s ARG 320 Cb -0.50 0.16 -0.28 0.00 -0.45 0.00 0.00 34.95 33.88 3fkj s ARG 320 CO 0.35 -0.07 0.42 2.89 -0.68 0.00 0.00 175.30 178.20 3fkj n ARG 321 N 2.19 0.58 -2.43 3.54 1.85 -1.26 -5.03 116.66 116.10 3fkj n ARG 321 Ca -0.18 -0.16 -0.25 0.00 -1.00 0.00 0.00 57.85 56.26 3fkj n ARG 321 Cb 0.57 -1.43 0.01 0.00 -1.05 0.00 0.00 32.46 30.55 3fkj n ARG 321 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3fkj n TYR 322 N -2.11 3.17 -0.03 2.89 4.01 -1.26 -4.62 117.16 119.21 3fkj n TYR 322 Ca -0.03 -2.96 0.00 0.00 -0.16 0.00 0.00 57.90 54.75 3fkj n TYR 322 Cb 0.47 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 3fkj n TYR 322 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 3fkj n TRP 324 N -0.49 0.00 0.00 -0.72 8.01 -1.26 -1.07 117.44 121.91 3fkj n TRP 324 Ca 0.38 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.57 3fkj n TRP 324 Cb 0.72 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.02 3fkj n TRP 324 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3fkj n LYS 325 N 0.00 0.00 -4.23 -0.99 5.02 -1.26 -5.12 118.16 111.58 3fkj n LYS 325 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 3fkj n LYS 325 Cb 0.00 -0.25 -0.06 0.00 -0.02 0.00 0.00 35.03 34.70 3fkj n LYS 325 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3fkj s VAL 326 N -1.85 1.97 -0.00 -0.18 -7.23 -0.23 -5.14 120.40 107.74 3fkj s VAL 326 Ca 0.00 -1.73 -0.08 0.00 -1.81 0.00 0.00 61.98 58.35 3fkj s VAL 326 Cb 0.00 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3fkj s VAL 326 CO 0.00 0.00 0.29 -1.61 -0.31 0.00 0.00 175.10 173.47 3fkj s GLU 327 N -3.95 3.63 0.00 4.82 8.01 -1.26 -5.04 118.70 124.91 3fkj s GLU 327 Ca 0.33 0.02 0.00 0.00 0.01 0.00 0.00 54.97 55.34 3fkj s GLU 327 Cb 0.03 -3.11 0.00 0.00 -4.31 0.00 0.00 34.13 26.74 3fkj s GLU 327 CO 0.19 0.66 0.00 2.48 0.01 0.00 0.00 175.26 178.60