#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjj s LYS 2 N 0.00 4.13 0.29 2.12 1.02 -1.26 -2.67 119.74 123.37 1xjj s LYS 2 Ca 0.00 1.03 -0.02 0.00 0.02 0.00 0.00 55.97 57.01 1xjj s LYS 2 Cb 0.00 -2.19 0.45 0.00 -0.52 0.00 0.00 37.83 35.57 1xjj s LYS 2 CO 0.00 -0.08 1.94 1.25 -0.92 0.00 0.00 175.35 177.54 1xjj h LEU 3 N 1.65 0.97 -0.69 3.17 6.46 -1.85 -1.43 115.31 123.58 1xjj h LEU 3 Ca -0.48 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.37 1xjj h LEU 3 Cb 1.18 -0.23 -0.08 0.00 -0.73 0.00 0.00 40.66 40.80 1xjj h LEU 3 CO 0.61 0.67 0.29 0.77 -0.62 0.00 0.00 178.44 180.17 1xjj h SER 4 N 1.13 0.31 -0.56 1.25 4.64 -1.97 0.27 113.55 118.63 1xjj h SER 4 Ca 0.34 0.08 -0.09 0.00 -0.47 0.00 0.00 61.79 61.66 1xjj h SER 4 Cb -0.02 0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1xjj h SER 4 CO -0.10 0.16 0.01 0.44 -0.87 0.00 0.00 176.83 176.48 1xjj h ASP 5 N 0.48 0.98 -0.60 4.97 3.32 -1.66 -1.89 116.42 122.01 1xjj h ASP 5 Ca 0.36 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 1xjj h ASP 5 Cb 0.46 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1xjj h ASP 5 CO -0.33 1.02 0.13 0.25 -1.72 0.00 0.00 179.24 178.60 1xjj h LEU 6 N 0.92 0.92 -0.33 1.55 5.85 -0.82 -2.85 115.31 120.55 1xjj h LEU 6 Ca 0.17 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.69 1xjj h LEU 6 Cb 0.52 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 1xjj h LEU 6 CO 0.03 0.92 0.11 0.40 -0.34 0.00 0.00 178.44 179.56 1xjj h ILE 7 N 0.88 0.89 0.00 4.05 2.04 -0.23 -2.42 117.51 122.73 1xjj h ILE 7 Ca 0.19 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.95 1xjj h ILE 7 Cb 0.37 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1xjj h ILE 7 CO 0.00 0.04 -0.08 0.77 0.00 0.00 0.00 178.15 178.89 1xjj h SER 8 N 0.24 0.00 0.84 1.72 4.64 -1.24 0.22 113.55 119.97 1xjj h SER 8 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1xjj h SER 8 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1xjj h SER 8 CO -0.17 0.08 0.00 0.03 -0.87 0.00 0.00 176.83 175.90 1xjj h ARG 9 N 0.00 0.00 0.00 4.77 3.08 -1.20 -3.35 114.38 117.68 1xjj h ARG 9 Ca -0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1xjj h ARG 9 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1xjj h ARG 9 CO 0.01 0.00 -1.06 0.91 -1.07 0.00 0.00 179.97 178.76 1xjj n TRP 10 N -2.64 0.00 0.25 3.04 7.02 0.05 -4.76 117.44 120.39 1xjj n TRP 10 Ca 0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.60 1xjj n TRP 10 Cb 0.26 -0.04 0.71 0.00 -2.42 0.00 0.00 31.31 29.82 1xjj n TRP 10 CO 0.00 0.00 0.00 0.97 -2.02 0.00 0.00 177.69 176.64 1xjj h ILE 11 N 0.00 0.86 -0.45 -0.99 2.10 -0.82 -1.23 117.51 116.98 1xjj h ILE 11 Ca -0.01 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1xjj h ILE 11 Cb 0.35 0.98 0.00 0.00 -1.09 0.00 0.00 36.82 37.06 1xjj h ILE 11 CO 0.00 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 177.54 1xjj n ASP 12 N -4.35 3.36 -4.56 2.19 8.00 -1.26 -4.64 116.55 115.29 1xjj n ASP 12 Ca -0.02 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 1xjj n ASP 12 Cb 0.13 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.89 1xjj n ASP 12 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xjj s VAL 13 N -1.19 4.67 0.53 2.53 1.01 -0.47 -5.04 120.40 122.43 1xjj s VAL 13 Ca 0.36 0.58 -0.16 0.00 0.00 0.00 0.00 61.98 62.76 1xjj s VAL 13 Cb 0.20 -4.29 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1xjj s VAL 13 CO 0.27 -0.63 0.99 -1.61 0.00 0.00 0.00 175.10 174.12 1xjj s GLU 14 N 3.25 3.90 0.64 2.72 2.02 -1.26 -4.99 118.70 124.97 1xjj s GLU 14 Ca 0.31 0.93 -0.18 0.00 0.02 0.00 0.00 54.97 56.05 1xjj s GLU 14 Cb -0.12 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1xjj s GLU 14 CO 0.21 -0.32 0.96 -2.30 0.02 0.00 0.00 175.26 173.84 1xjj n PRO 15 N -1.74 0.79 -0.76 0.39 -0.02 -1.26 -4.99 135.00 127.42 1xjj n PRO 15 Ca 0.07 0.32 -0.32 0.00 -2.02 0.00 0.00 63.50 61.54 1xjj n PRO 15 Cb 0.54 -2.18 0.14 0.00 -0.02 0.00 0.00 33.50 31.98 1xjj n PRO 15 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1xjj n SER 16 N -1.02 -0.85 0.09 2.55 3.41 -1.26 -4.76 113.62 111.79 1xjj n SER 16 Ca 0.14 0.39 0.17 0.00 -0.26 0.00 0.00 58.87 59.30 1xjj n SER 16 Cb 0.48 -1.34 0.70 0.00 -0.26 0.00 0.00 64.21 63.78 1xjj n SER 16 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1xjj h LYS 17 N -1.68 0.00 -0.09 4.33 1.57 -1.99 -1.79 116.57 116.92 1xjj h LYS 17 Ca -0.43 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.34 1xjj h LYS 17 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.58 1xjj h LYS 17 CO 0.38 0.00 0.02 -0.97 -0.57 0.00 0.00 179.45 178.31 1xjj h ASN 18 N 0.00 0.14 -0.55 0.86 -1.24 -1.96 -2.51 115.58 110.32 1xjj h ASN 18 Ca 0.17 -0.24 0.06 0.00 0.71 0.00 0.00 56.30 56.99 1xjj h ASN 18 Cb 0.69 -0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.66 1xjj h ASN 18 CO -0.00 0.34 0.26 0.00 -1.29 0.00 0.00 177.43 176.74 1xjj h ALA 19 N 0.80 0.70 -0.34 1.57 0.00 -1.57 -2.93 119.26 117.50 1xjj h ALA 19 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xjj h ALA 19 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xjj h ALA 19 CO 0.00 -0.09 -0.01 1.96 0.00 0.00 0.00 179.25 181.10 1xjj h GLN 20 N 0.50 0.53 -0.35 0.00 4.20 -1.16 0.17 115.11 119.01 1xjj h GLN 20 Ca 0.25 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xjj h GLN 20 Cb 0.19 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1xjj h GLN 20 CO -0.19 0.57 0.19 0.82 -0.67 0.00 0.00 178.83 179.55 1xjj h ILE 21 N 0.51 1.14 -0.40 2.54 2.04 -1.27 0.72 117.51 122.78 1xjj h ILE 21 Ca 0.11 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.62 1xjj h ILE 21 Cb 0.35 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 1xjj h ILE 21 CO 0.01 0.14 0.22 0.40 0.00 0.00 0.00 178.15 178.93 1xjj h ILE 22 N 0.44 1.01 0.35 -0.67 2.04 -1.04 0.24 117.51 119.88 1xjj h ILE 22 Ca 0.12 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 1xjj h ILE 22 Cb 0.06 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1xjj h ILE 22 CO -0.02 0.08 -0.17 -0.07 0.00 0.00 0.00 178.15 177.98 1xjj h LEU 23 N 0.45 -0.40 -1.24 1.44 3.38 -0.80 -1.21 115.31 116.94 1xjj h LEU 23 Ca 0.16 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.16 1xjj h LEU 23 Cb 0.04 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1xjj h LEU 23 CO -0.09 -0.21 0.55 0.03 0.09 0.00 0.00 178.44 178.81 1xjj h ARG 24 N -0.56 0.88 -0.18 1.13 3.08 -0.73 0.19 114.38 118.20 1xjj h ARG 24 Ca -0.05 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1xjj h ARG 24 Cb 0.42 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1xjj h ARG 24 CO 0.08 0.58 0.06 0.22 -1.07 0.00 0.00 179.97 179.84 1xjj h ASP 25 N 0.91 0.26 0.00 7.04 -0.00 -0.04 -3.41 116.42 121.18 1xjj h ASP 25 Ca 0.36 -0.20 0.00 0.00 -0.00 0.00 0.00 57.03 57.19 1xjj h ASP 25 Cb 0.24 -0.07 0.00 0.00 -0.00 0.00 0.00 39.33 39.51 1xjj h ASP 25 CO -0.13 0.39 -0.01 -2.11 -0.00 0.00 0.00 179.24 177.38 1xjj n ARG 26 N -4.82 0.97 -0.10 0.28 1.85 -0.50 -4.95 116.66 109.39 1xjj n ARG 26 Ca -0.04 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.59 1xjj n ARG 26 Cb 0.15 -0.08 -0.12 0.00 -1.05 0.00 0.00 32.46 31.35 1xjj n ARG 26 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1xjj n TYR 27 N -0.06 0.38 -1.98 2.89 4.02 0.52 -4.93 117.16 118.00 1xjj n TYR 27 Ca 0.00 0.10 -0.42 0.00 -0.01 0.00 0.00 57.90 57.57 1xjj n TYR 27 Cb 0.00 -1.05 -0.03 0.00 -0.02 0.00 0.00 39.34 38.25 1xjj n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1xjj s PHE 28 N -2.52 3.03 0.30 -0.72 0.08 -0.36 -4.78 117.98 113.01 1xjj s PHE 28 Ca -0.32 0.88 -0.29 0.00 0.12 0.00 0.00 56.93 57.32 1xjj s PHE 28 Cb 0.09 -3.86 -0.09 0.00 -0.57 0.00 0.00 43.02 38.59 1xjj s PHE 28 CO 0.62 -2.94 1.10 1.41 -0.10 0.00 0.00 175.22 175.31 1xjj s MET 29 N 0.19 4.57 0.21 0.44 1.75 -1.26 -4.92 119.30 120.28 1xjj s MET 29 Ca 0.63 1.80 0.11 0.00 -1.25 0.00 0.00 55.69 56.97 1xjj s MET 29 Cb -0.42 -3.11 -0.04 0.00 2.84 0.00 0.00 34.83 34.09 1xjj s MET 29 CO 0.39 0.15 -0.21 0.15 -0.65 0.00 0.00 175.02 174.85 1xjj s LYS 30 N -1.57 1.48 0.64 4.11 1.02 -1.26 0.40 119.74 124.55 1xjj s LYS 30 Ca 0.46 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.90 1xjj s LYS 30 Cb -0.31 -1.64 0.08 0.00 -0.52 0.00 0.00 37.83 35.43 1xjj s LYS 30 CO 0.40 0.34 0.89 0.16 -0.92 0.00 0.00 175.35 176.22 1xjj s ASP 31 N -2.90 4.82 0.59 2.83 1.47 0.83 -4.85 116.67 119.47 1xjj s ASP 31 Ca 0.22 -0.18 0.29 0.00 1.18 0.00 0.00 52.55 54.06 1xjj s ASP 31 Cb -0.06 -0.45 1.43 0.00 -0.34 0.00 0.00 42.92 43.50 1xjj s ASP 31 CO 0.10 -1.50 1.84 -0.07 0.68 0.00 0.00 175.17 176.21 1xjj h LEU 32 N -0.23 0.00 0.00 2.11 3.38 -2.02 0.22 115.31 118.77 1xjj h LEU 32 Ca -0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1xjj h LEU 32 Cb 1.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1xjj h LEU 32 CO 0.47 0.00 -0.42 0.44 0.09 0.00 0.00 178.44 179.02 1xjj h ASP 33 N 0.00 0.00 0.00 -0.43 3.32 -2.06 -3.47 116.42 113.78 1xjj h ASP 33 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1xjj h ASP 33 Cb 1.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.97 1xjj h ASP 33 CO -0.00 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.54 1xjj n GLY 34 N 1.20 0.91 3.79 2.75 0.00 0.78 -5.09 105.19 109.52 1xjj n GLY 34 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1xjj n GLY 34 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjj s ASN 35 N -2.13 7.17 -0.12 1.61 0.01 -1.26 -4.79 114.94 115.44 1xjj s ASN 35 Ca 0.00 1.85 -0.30 0.00 -0.71 0.00 0.00 52.86 53.71 1xjj s ASN 35 Cb 0.00 -2.57 -0.02 0.00 0.41 0.00 0.00 41.25 39.06 1xjj s ASN 35 CO 0.00 -0.19 1.21 -0.31 -1.51 0.00 0.00 177.10 176.29 1xjj s TYR 36 N -1.72 3.07 -1.13 2.20 2.02 -1.26 -0.12 117.35 120.42 1xjj s TYR 36 Ca 0.53 1.16 0.24 0.00 -0.37 0.00 0.00 57.07 58.64 1xjj s TYR 36 Cb -0.18 -3.44 0.29 0.00 -0.40 0.00 0.00 41.96 38.24 1xjj s TYR 36 CO 0.23 -1.37 1.26 1.28 -1.57 0.00 0.00 175.55 175.38 1xjj n LEU 37 N 5.86 0.78 -3.88 -1.29 4.77 0.16 -4.89 117.00 118.51 1xjj n LEU 37 Ca 0.12 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.77 1xjj n LEU 37 Cb 0.46 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1xjj n LEU 37 CO 0.55 0.18 -0.36 -1.61 -1.33 0.00 0.00 177.39 174.82 1xjj s GLU 38 N -2.92 0.03 0.00 3.23 2.02 -1.17 -4.93 118.70 114.95 1xjj s GLU 38 Ca 0.12 -0.03 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1xjj s GLU 38 Cb 0.17 -0.01 0.00 0.00 0.10 0.00 0.00 34.13 34.39 1xjj s GLU 38 CO 0.73 0.00 0.08 0.25 0.02 0.00 0.00 175.26 176.34 1xjj n THR 39 N 3.02 0.00 -4.01 3.63 -2.24 -1.26 -4.61 114.28 108.80 1xjj n THR 39 Ca -0.13 -0.13 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 1xjj n THR 39 Cb 0.60 1.45 -0.11 0.00 -2.10 0.00 0.00 70.33 70.17 1xjj n THR 39 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xjj s LYS 40 N -0.10 0.38 0.35 -0.78 1.02 -1.26 -5.03 119.74 114.32 1xjj s LYS 40 Ca 0.00 -0.64 0.12 0.00 0.02 0.00 0.00 55.97 55.47 1xjj s LYS 40 Cb 0.00 -0.04 0.93 0.00 -0.52 0.00 0.00 37.83 38.20 1xjj s LYS 40 CO 0.00 -0.01 1.77 2.35 -0.92 0.00 0.00 175.35 178.54 1xjj h TRP 41 N 4.66 0.86 -0.92 3.18 2.91 -1.99 -0.55 115.95 124.10 1xjj h TRP 41 Ca -0.33 0.03 0.16 0.00 1.13 0.00 0.00 58.89 59.88 1xjj h TRP 41 Cb 1.21 -0.25 -0.08 0.00 -0.51 0.00 0.00 29.16 29.53 1xjj h TRP 41 CO 0.65 0.13 0.59 1.49 -1.03 0.00 0.00 178.44 180.26 1xjj h GLU 42 N 0.56 0.67 -0.43 2.65 4.81 -1.96 -0.32 114.58 120.55 1xjj h GLU 42 Ca 0.59 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.72 1xjj h GLU 42 Cb 1.20 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.41 1xjj h GLU 42 CO -0.35 0.44 0.07 -0.44 -0.73 0.00 0.00 179.01 178.01 1xjj h ASP 43 N 0.69 0.69 -0.41 1.04 3.32 -1.51 -0.26 116.42 119.97 1xjj h ASP 43 Ca 0.47 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 1xjj h ASP 43 Cb 0.79 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 1xjj h ASP 43 CO -0.23 0.77 0.13 0.58 -1.72 0.00 0.00 179.24 178.77 1xjj h VAL 44 N 0.57 1.22 -0.56 -1.35 2.07 -1.16 -2.31 116.25 114.73 1xjj h VAL 44 Ca 0.13 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 1xjj h VAL 44 Cb 0.38 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1xjj h VAL 44 CO 0.01 0.25 0.15 0.00 0.02 0.00 0.00 177.57 178.00 1xjj h ALA 45 N 0.98 1.21 0.43 1.67 0.00 -0.96 -1.78 119.26 120.80 1xjj h ALA 45 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1xjj h ALA 45 Cb 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xjj h ALA 45 CO -0.00 0.55 -0.21 -0.09 0.00 0.00 0.00 179.25 179.49 1xjj h ARG 46 N 0.83 -0.56 -0.35 0.00 9.65 -0.91 -1.64 114.38 121.40 1xjj h ARG 46 Ca 0.18 0.04 0.07 0.00 -1.10 0.00 0.00 59.98 59.17 1xjj h ARG 46 Cb 0.28 0.13 -0.06 0.00 -1.39 0.00 0.00 29.97 28.92 1xjj h ARG 46 CO -0.00 -0.37 -0.05 -0.09 2.80 0.00 0.00 179.97 182.25 1xjj h ARG 47 N -0.58 0.04 -0.14 0.20 2.43 -1.29 -0.31 114.38 114.73 1xjj h ARG 47 Ca -0.06 -0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 1xjj h ARG 47 Cb 0.45 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 1xjj h ARG 47 CO 0.09 0.02 -0.21 0.28 -1.51 0.00 0.00 179.97 178.64 1xjj h VAL 48 N 0.04 1.36 -0.21 0.20 2.07 -1.34 -0.92 116.25 117.45 1xjj h VAL 48 Ca 0.17 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1xjj h VAL 48 Cb 0.25 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1xjj h VAL 48 CO -0.33 0.43 -0.05 0.00 0.02 0.00 0.00 177.57 177.63 1xjj h ALA 49 N 0.57 0.14 -0.21 1.67 0.00 -1.16 -1.09 119.26 119.18 1xjj h ALA 49 Ca 0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1xjj h ALA 49 Cb 0.78 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 1xjj h ALA 49 CO 0.05 -0.47 -0.05 -0.09 0.00 0.00 0.00 179.25 178.68 1xjj h ARG 50 N 0.00 -0.00 -0.45 0.00 2.43 -0.98 0.01 114.38 115.39 1xjj h ARG 50 Ca 0.10 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.18 1xjj h ARG 50 Cb 0.15 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1xjj h ARG 50 CO -0.22 -0.00 -0.10 0.28 -1.51 0.00 0.00 179.97 178.42 1xjj h VAL 51 N -0.00 1.26 0.03 0.20 2.07 -0.94 -2.54 116.25 116.31 1xjj h VAL 51 Ca 0.10 -1.17 -0.25 0.00 0.82 0.00 0.00 66.70 66.21 1xjj h VAL 51 Cb 0.16 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1xjj h VAL 51 CO -0.22 0.40 -1.25 0.58 0.02 0.00 0.00 177.57 177.11 1xjj h VAL 52 N 0.74 1.43 0.00 2.57 2.07 -1.08 -3.12 116.25 118.86 1xjj h VAL 52 Ca 0.13 -3.15 -0.03 0.00 0.82 0.00 0.00 66.70 64.46 1xjj h VAL 52 Cb 0.59 2.75 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 1xjj h VAL 52 CO 0.04 0.84 -0.16 0.00 0.02 0.00 0.00 177.57 178.31 1xjj h ALA 53 N 0.90 1.67 -0.94 1.67 0.00 -0.88 -2.84 119.26 118.85 1xjj h ALA 53 Ca -0.11 -0.14 0.21 0.00 0.00 0.00 0.00 54.91 54.86 1xjj h ALA 53 Cb 1.87 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.56 1xjj h ALA 53 CO 0.13 0.20 0.61 1.15 0.00 0.00 0.00 179.25 181.34 1xjj h THR 54 N 0.00 0.67 -0.16 0.00 2.02 -1.38 -0.94 112.91 113.12 1xjj h THR 54 Ca -0.00 -0.16 0.05 0.00 0.77 0.00 0.00 66.41 67.06 1xjj h THR 54 Cb 0.29 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 1xjj h THR 54 CO 0.02 0.08 0.49 0.00 0.37 0.00 0.00 175.52 176.48 1xjj h ALA 55 N 1.61 1.70 0.00 6.16 0.00 -1.64 -0.99 119.26 126.10 1xjj h ALA 55 Ca 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1xjj h ALA 55 Cb 1.17 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xjj h ALA 55 CO -0.22 -0.57 0.00 0.93 0.00 0.00 0.00 179.25 179.39 1xjj h GLU 56 N 0.00 0.00 -1.16 0.00 4.39 -1.39 -2.65 114.58 113.77 1xjj h GLU 56 Ca 0.07 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.11 1xjj h GLU 56 Cb 1.05 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.65 1xjj h GLU 56 CO -0.00 0.00 1.00 -0.07 -1.16 0.00 0.00 179.01 178.78 1xjj h LEU 57 N 0.00 0.00 -1.92 1.33 -0.00 -1.39 -0.71 115.31 112.62 1xjj h LEU 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1xjj h LEU 57 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1xjj h LEU 57 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.44 178.62 1xjj n LEU 58 N -3.76 2.86 -4.62 1.67 4.77 -1.00 -4.90 117.00 112.02 1xjj n LEU 58 Ca 0.25 -1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 54.70 1xjj n LEU 58 Cb 1.37 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 42.39 1xjj n LEU 58 CO 0.34 0.52 1.24 0.21 -1.33 0.00 0.00 177.39 178.36 1xjj s ASN 59 N -1.68 6.47 0.00 -1.43 3.84 -0.27 -4.88 114.94 116.99 1xjj s ASN 59 Ca 0.27 1.21 0.02 0.00 0.21 0.00 0.00 52.86 54.57 1xjj s ASN 59 Cb 0.18 -2.54 0.12 0.00 -0.55 0.00 0.00 41.25 38.46 1xjj s ASN 59 CO 0.27 -1.25 0.72 -0.81 -2.79 0.00 0.00 177.10 173.24 1xjj n PRO 60 N 7.66 0.63 0.00 0.43 -0.04 -1.26 -2.63 135.00 139.78 1xjj n PRO 60 Ca 0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.67 1xjj n PRO 60 Cb 0.47 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1xjj n PRO 60 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1xjj n SER 61 N -0.55 1.08 -4.68 3.54 7.64 -1.26 -4.91 113.62 114.48 1xjj n SER 61 Ca 0.01 -1.04 -0.37 0.00 1.01 0.00 0.00 58.87 58.48 1xjj n SER 61 Cb 0.01 0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.62 1xjj n SER 61 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1xjj s TYR 62 N -1.27 3.38 0.49 1.43 4.12 -1.08 -5.08 117.35 119.34 1xjj s TYR 62 Ca 0.07 0.49 -0.18 0.00 0.02 0.00 0.00 57.07 57.47 1xjj s TYR 62 Cb 0.07 -2.39 -0.09 0.00 -1.52 0.00 0.00 41.96 38.03 1xjj s TYR 62 CO 0.23 0.09 0.98 0.15 0.02 0.00 0.00 175.55 177.01 1xjj s LYS 63 N 0.98 4.02 0.35 -0.62 -0.14 -1.26 -4.87 119.74 118.20 1xjj s LYS 63 Ca 0.15 1.02 0.09 0.00 -1.36 0.00 0.00 55.97 55.87 1xjj s LYS 63 Cb -0.14 -2.15 0.83 0.00 -1.68 0.00 0.00 37.83 34.69 1xjj s LYS 63 CO 0.05 -0.21 1.83 1.57 -0.76 0.00 0.00 175.35 177.83 1xjj h LYS 64 N 1.23 0.66 0.00 1.68 2.10 -1.99 0.67 116.57 120.92 1xjj h LYS 64 Ca -0.48 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.13 1xjj h LYS 64 Cb 1.18 -0.15 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1xjj h LYS 64 CO 0.61 0.44 0.00 -2.95 -2.00 0.00 0.00 179.45 175.55 1xjj h ASN 65 N 0.68 0.00 0.21 7.07 7.08 -2.05 -3.14 115.58 125.44 1xjj h ASN 65 Ca 0.50 0.00 -0.30 0.00 -3.08 0.00 0.00 56.30 53.43 1xjj h ASN 65 Cb 0.87 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 37.14 1xjj h ASN 65 CO -0.26 0.00 -1.26 -0.08 -2.08 0.00 0.00 177.43 173.75 1xjj h GLU 66 N 0.00 0.56 -0.53 4.14 4.81 -1.24 -3.43 114.58 118.90 1xjj h GLU 66 Ca 0.00 -0.78 0.11 0.00 -0.13 0.00 0.00 59.36 58.55 1xjj h GLU 66 Cb 0.54 0.26 -0.10 0.00 0.63 0.00 0.00 28.75 30.09 1xjj h GLU 66 CO 0.00 1.35 -0.13 0.87 -0.73 0.00 0.00 179.01 180.37 1xjj h LYS 67 N 0.24 -0.00 -0.46 1.92 1.57 -1.45 -2.21 116.57 116.18 1xjj h LYS 67 Ca -0.18 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.50 1xjj h LYS 67 Cb 1.93 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.22 1xjj h LYS 67 CO 0.24 -0.00 -0.11 1.25 -0.57 0.00 0.00 179.45 180.26 1xjj h LEU 68 N -0.00 0.84 -0.19 2.94 5.85 -1.82 -1.25 115.31 121.67 1xjj h LEU 68 Ca 0.25 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1xjj h LEU 68 Cb 0.39 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1xjj h LEU 68 CO -0.55 0.97 0.05 0.44 -0.34 0.00 0.00 178.44 179.01 1xjj h ASP 69 N 0.76 0.29 -0.80 1.25 3.32 -1.72 -2.28 116.42 117.25 1xjj h ASP 69 Ca 0.13 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 1xjj h ASP 69 Cb 0.61 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1xjj h ASP 69 CO 0.04 0.44 0.50 0.03 -1.72 0.00 0.00 179.24 178.53 1xjj h ARG 70 N 0.13 1.08 -0.23 3.56 2.47 -1.14 -2.24 114.38 118.01 1xjj h ARG 70 Ca 0.06 -0.09 -0.03 0.00 -1.26 0.00 0.00 59.98 58.66 1xjj h ARG 70 Cb 0.26 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.34 1xjj h ARG 70 CO 0.00 0.75 0.03 0.82 0.56 0.00 0.00 179.97 182.13 1xjj h ILE 71 N 1.10 1.23 0.00 2.04 2.04 -1.18 -2.01 117.51 120.73 1xjj h ILE 71 Ca 0.29 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1xjj h ILE 71 Cb -0.06 1.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1xjj h ILE 71 CO -0.06 0.24 -0.05 0.11 0.00 0.00 0.00 178.15 178.39 1xjj h LYS 72 N 0.19 0.00 -0.04 2.37 1.57 -1.20 0.12 116.57 119.57 1xjj h LYS 72 Ca 0.07 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 1xjj h LYS 72 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1xjj h LYS 72 CO 0.01 0.05 -0.22 0.93 -0.57 0.00 0.00 179.45 179.65 1xjj h GLU 73 N 0.00 0.21 -0.47 3.15 5.08 -1.09 -1.62 114.58 119.85 1xjj h GLU 73 Ca -0.00 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1xjj h GLU 73 Cb 0.11 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1xjj h GLU 73 CO 0.01 0.84 0.21 -1.49 -1.00 0.00 0.00 179.01 177.57 1xjj h TRP 74 N -0.35 0.69 -0.75 4.33 4.06 -1.01 -1.80 115.95 121.12 1xjj h TRP 74 Ca -0.02 -0.04 0.08 0.00 2.06 0.00 0.00 58.89 60.97 1xjj h TRP 74 Cb 0.88 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 28.77 1xjj h TRP 74 CO 0.14 0.57 0.41 1.49 -3.56 0.00 0.00 178.44 177.50 1xjj h GLU 75 N 0.61 0.70 -0.43 0.49 4.81 -0.81 -0.46 114.58 119.50 1xjj h GLU 75 Ca 0.16 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1xjj h GLU 75 Cb 0.15 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1xjj h GLU 75 CO -0.02 0.46 0.10 0.22 -0.73 0.00 0.00 179.01 179.05 1xjj h ASP 76 N 0.72 0.65 -0.13 1.04 3.58 -0.96 0.12 116.42 121.45 1xjj h ASP 76 Ca 0.35 -0.24 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1xjj h ASP 76 Cb 0.29 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1xjj h ASP 76 CO -0.23 0.72 -0.02 -0.29 -2.88 0.00 0.00 179.24 176.54 1xjj h ILE 77 N 0.55 1.28 -0.60 2.25 6.09 -1.13 -1.67 117.51 124.28 1xjj h ILE 77 Ca 0.13 -0.93 0.12 0.00 -1.37 0.00 0.00 64.86 62.82 1xjj h ILE 77 Cb 0.32 1.64 -0.09 0.00 0.47 0.00 0.00 36.82 39.16 1xjj h ILE 77 CO 0.00 0.27 0.06 -0.26 -3.07 0.00 0.00 178.15 175.15 1xjj h PHE 78 N -0.06 0.07 -0.68 2.19 0.04 -1.02 -1.68 116.94 115.80 1xjj h PHE 78 Ca 0.03 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.85 1xjj h PHE 78 Cb 0.42 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.60 1xjj h PHE 78 CO 0.05 -0.10 0.45 0.35 -0.60 0.00 0.00 178.31 178.45 1xjj h PHE 79 N 0.18 0.85 -0.28 -0.55 3.57 -0.52 -2.32 116.94 117.87 1xjj h PHE 79 Ca 0.32 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.80 1xjj h PHE 79 Cb 0.50 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1xjj h PHE 79 CO -0.31 0.54 0.04 0.00 -2.23 0.00 0.00 178.31 176.35 1xjj h ARG 80 N 0.92 0.47 -0.24 1.11 3.08 -0.43 0.36 114.38 119.64 1xjj h ARG 80 Ca 0.25 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 60.04 1xjj h ARG 80 Cb -0.11 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.88 1xjj h ARG 80 CO -0.05 0.59 -0.36 -0.39 -1.07 0.00 0.00 179.97 178.69 1xjj h VAL 81 N 0.29 1.29 0.04 2.04 -1.51 -1.34 0.16 116.25 117.22 1xjj h VAL 81 Ca 0.08 -1.49 -0.00 0.00 -1.23 0.00 0.00 66.70 64.06 1xjj h VAL 81 Cb 0.35 1.50 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1xjj h VAL 81 CO 0.01 0.47 -0.02 -0.07 -1.23 0.00 0.00 177.57 176.73 1xjj h LEU 82 N 0.45 -0.05 -0.55 4.19 3.38 -1.33 -0.41 115.31 120.99 1xjj h LEU 82 Ca 0.05 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1xjj h LEU 82 Cb 0.84 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1xjj h LEU 82 CO 0.07 0.23 0.36 0.50 0.09 0.00 0.00 178.44 179.69 1xjj h LYS 83 N -0.33 0.73 0.00 1.13 3.64 -0.17 -0.20 116.57 121.37 1xjj h LYS 83 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xjj h LYS 83 Cb 0.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1xjj h LYS 83 CO 0.01 0.49 0.00 0.00 -2.27 0.00 0.00 179.45 177.68 1xjj h ALA 84 N 1.20 1.00 -3.50 5.00 0.00 -0.73 -3.45 119.26 118.77 1xjj h ALA 84 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.80 1xjj h ALA 84 Cb -0.08 0.00 0.05 0.00 0.00 0.00 0.00 17.79 17.76 1xjj h ALA 84 CO -0.04 0.00 -0.46 0.54 0.00 0.00 0.00 179.25 179.28 1xjj n ARG 85 N -2.67 -3.72 0.01 0.00 1.74 -0.09 -4.73 116.66 107.21 1xjj n ARG 85 Ca 0.00 0.70 -0.10 0.00 -0.77 0.00 0.00 57.85 57.68 1xjj n ARG 85 Cb 0.21 -5.12 -0.14 0.00 -1.02 0.00 0.00 32.46 26.39 1xjj n ARG 85 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1xjj h LEU 86 N -1.05 0.08 -7.87 0.55 3.38 -1.38 -3.42 115.31 105.60 1xjj h LEU 86 Ca -0.41 -0.14 -0.36 0.00 0.09 0.00 0.00 57.88 57.06 1xjj h LEU 86 Cb 1.28 -0.03 -0.30 0.00 0.09 0.00 0.00 40.66 41.70 1xjj h LEU 86 CO 0.44 1.12 -0.76 0.12 0.09 0.00 0.00 178.44 179.44 1xjj s PHE 87 N -2.63 0.61 -0.04 1.13 5.36 -1.16 -0.48 117.98 120.78 1xjj s PHE 87 Ca -0.05 -0.13 0.01 0.00 -0.96 0.00 0.00 56.93 55.80 1xjj s PHE 87 Cb 0.08 -0.46 0.02 0.00 -0.34 0.00 0.00 43.02 42.33 1xjj s PHE 87 CO 0.82 -0.07 -0.03 0.42 -1.46 0.00 0.00 175.22 174.91 1xjj s ILE 88 N 0.21 0.44 0.84 3.12 1.01 -0.67 -4.10 121.20 122.06 1xjj s ILE 88 Ca -0.02 -0.05 -0.12 0.00 0.00 0.00 0.00 60.65 60.46 1xjj s ILE 88 Cb -0.07 -0.50 0.10 0.00 0.01 0.00 0.00 42.46 42.00 1xjj s ILE 88 CO -0.00 0.21 1.10 -2.16 0.00 0.00 0.00 174.94 174.09 1xjj s PRO 89 N 1.04 1.72 0.60 2.79 0.04 -1.26 -0.86 135.00 139.07 1xjj s PRO 89 Ca -0.09 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 61.35 1xjj s PRO 89 Cb -0.14 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1xjj s PRO 89 CO -0.01 -1.86 0.82 0.27 0.04 0.00 0.00 177.00 176.26 1xjj n ASN 90 N -3.59 0.15 -0.27 6.66 2.04 0.18 -4.77 115.26 115.67 1xjj n ASN 90 Ca 0.07 0.77 0.08 0.00 -0.44 0.00 0.00 54.58 55.06 1xjj n ASN 90 Cb 0.57 -1.32 0.21 0.00 -2.53 0.00 0.00 39.78 36.71 1xjj n ASN 90 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xjj h SER 91 N 0.35 -0.03 -0.08 0.53 0.02 -1.93 -1.14 113.55 111.27 1xjj h SER 91 Ca -0.48 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1xjj h SER 91 Cb 1.38 0.23 -0.00 0.00 0.14 0.00 0.00 62.40 64.15 1xjj h SER 91 CO 0.49 -0.09 0.11 -0.65 -1.14 0.00 0.00 176.83 175.56 1xjj h PRO 92 N 0.24 0.00 -0.28 3.45 0.11 -1.87 0.36 132.00 134.00 1xjj h PRO 92 Ca 0.46 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.44 1xjj h PRO 92 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1xjj h PRO 92 CO -0.57 0.00 -0.35 1.15 -0.21 0.00 0.00 178.00 178.02 1xjj h THR 93 N 0.00 1.29 0.17 -1.15 2.02 -1.24 -1.74 112.91 112.26 1xjj h THR 93 Ca 0.04 -1.50 -0.30 0.00 0.77 0.00 0.00 66.41 65.42 1xjj h THR 93 Cb 0.25 1.45 0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1xjj h THR 93 CO -0.00 0.48 -1.39 -0.07 0.37 0.00 0.00 175.52 174.91 1xjj h LEU 94 N 0.53 0.56 -0.31 2.58 3.38 -0.92 -2.28 115.31 118.86 1xjj h LEU 94 Ca 0.05 -0.64 -0.02 0.00 0.09 0.00 0.00 57.88 57.37 1xjj h LEU 94 Cb 0.86 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1xjj h LEU 94 CO 0.07 1.51 0.11 -0.26 0.09 0.00 0.00 178.44 179.96 1xjj h PHE 95 N 0.10 0.48 -0.00 1.13 0.04 -0.37 -3.39 116.94 114.92 1xjj h PHE 95 Ca -0.20 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.53 1xjj h PHE 95 Cb 2.05 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 40.06 1xjj h PHE 95 CO 0.09 0.48 -0.40 0.09 -0.60 0.00 0.00 178.31 177.97 1xjj n ASN 96 N -4.71 0.72 -4.75 2.17 3.02 -0.66 -4.94 115.26 106.11 1xjj n ASN 96 Ca -0.02 -0.86 -0.41 0.00 -0.03 0.00 0.00 54.58 53.26 1xjj n ASN 96 Cb 0.15 0.84 -0.02 0.00 -0.61 0.00 0.00 39.78 40.14 1xjj n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xjj s ALA 97 N -1.79 3.66 0.00 5.41 0.00 -0.86 -2.30 121.76 125.88 1xjj s ALA 97 Ca 0.05 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.45 1xjj s ALA 97 Cb 0.08 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xjj s ALA 97 CO 0.37 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.69 1xjj n GLY 98 N 1.98 0.94 3.70 0.00 0.00 -1.26 -4.91 105.19 105.64 1xjj n GLY 98 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1xjj n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjj s LEU 99 N 0.00 4.37 0.00 0.99 1.43 -0.97 -1.77 118.68 122.73 1xjj s LEU 99 Ca 0.00 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1xjj s LEU 99 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1xjj s LEU 99 CO 0.00 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.29 1xjj n GLY 100 N 3.99 2.92 3.82 -3.19 0.00 -1.26 -1.54 105.19 109.94 1xjj n GLY 100 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1xjj n GLY 100 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xjj s VAL 101 N -2.59 4.69 0.08 1.61 1.01 -0.73 -4.68 120.40 119.80 1xjj s VAL 101 Ca 0.00 1.15 -0.33 0.00 0.00 0.00 0.00 61.98 62.80 1xjj s VAL 101 Cb 0.00 -3.85 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 1xjj s VAL 101 CO 0.00 0.34 1.78 0.29 0.00 0.00 0.00 175.10 177.51 1xjj n LYS 102 N 1.08 2.47 0.13 2.72 4.01 -1.26 -4.87 118.16 122.44 1xjj n LYS 102 Ca -0.06 0.90 0.20 0.00 -0.51 0.00 0.00 58.31 58.83 1xjj n LYS 102 Cb 0.51 -2.75 0.75 0.00 -0.51 0.00 0.00 35.03 33.03 1xjj n LYS 102 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1xjj h HIS 103 N 8.01 0.00 0.00 2.13 3.86 -1.95 0.16 115.15 127.36 1xjj h HIS 103 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1xjj h HIS 103 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1xjj h HIS 103 CO 0.77 0.00 0.00 -0.40 0.86 0.00 0.00 177.93 179.16 1xjj n ASP 104 N -3.58 0.00 -0.05 2.45 5.68 -1.26 -3.23 116.55 116.56 1xjj n ASP 104 Ca 0.06 -0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 1xjj n ASP 104 Cb 0.59 -0.22 -0.15 0.00 -1.14 0.00 0.00 41.12 40.20 1xjj n ASP 104 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1xjj n LEU 105 N -1.22 0.00 0.14 -2.12 4.77 0.56 -4.46 117.00 114.67 1xjj n LEU 105 Ca 0.13 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.12 1xjj n LEU 105 Cb 0.16 0.24 0.13 0.00 -2.33 0.00 0.00 43.42 41.62 1xjj n LEU 105 CO 0.17 0.24 0.49 -0.07 -1.33 0.00 0.00 177.39 176.89 1xjj h LEU 106 N 0.00 0.00 -1.55 2.23 3.38 -1.60 -3.35 115.31 114.42 1xjj h LEU 106 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1xjj h LEU 106 Cb 1.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xjj h LEU 106 CO 0.01 0.57 0.00 0.79 0.09 0.00 0.00 178.44 179.90 1xjj n TRP 107 N -3.44 0.00 -2.36 1.13 8.01 -1.26 -3.75 117.44 115.77 1xjj n TRP 107 Ca 0.00 -0.17 -0.34 0.00 -1.31 0.00 0.00 57.50 55.68 1xjj n TRP 107 Cb 0.68 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.31 29.95 1xjj n TRP 107 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.69 175.09 1xjj s LYS 108 N -0.34 3.54 0.19 -0.99 -2.85 -1.26 -4.90 119.74 113.13 1xjj s LYS 108 Ca 0.00 1.48 -0.32 0.00 -1.00 0.00 0.00 55.97 56.12 1xjj s LYS 108 Cb 0.00 -2.04 -0.15 0.00 -2.06 0.00 0.00 37.83 33.57 1xjj s LYS 108 CO 0.00 -0.67 1.21 -2.30 0.10 0.00 0.00 175.35 173.69 1xjj n PRO 109 N -1.21 1.34 0.25 1.78 -0.02 -1.26 -4.83 135.00 131.04 1xjj n PRO 109 Ca 0.10 0.48 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 1xjj n PRO 109 Cb 0.52 -2.00 0.81 0.00 -0.02 0.00 0.00 33.50 32.81 1xjj n PRO 109 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1xjj h ILE 110 N 2.73 0.64 -0.20 4.25 2.10 -1.98 -1.96 117.51 123.09 1xjj h ILE 110 Ca -0.43 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.51 1xjj h ILE 110 Cb 1.33 0.94 0.00 0.00 -1.09 0.00 0.00 36.82 38.00 1xjj h ILE 110 CO 0.71 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.88 1xjj n ASP 111 N -4.04 1.08 -0.32 2.19 5.68 -1.26 -1.80 116.55 118.08 1xjj n ASP 111 Ca -0.01 -1.98 0.04 0.00 -0.50 0.00 0.00 54.79 52.33 1xjj n ASP 111 Cb 0.18 -0.13 0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1xjj n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1xjj n GLN 112 N 0.09 0.46 -2.82 0.11 6.02 -0.74 -5.04 117.38 115.47 1xjj n GLN 112 Ca 0.07 -1.08 -0.41 0.00 -0.01 0.00 0.00 57.00 55.57 1xjj n GLN 112 Cb 0.17 -1.15 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 1xjj n GLN 112 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1xjj s MET 113 N -0.68 4.56 0.32 -1.09 -1.94 -0.74 -5.06 119.30 114.67 1xjj s MET 113 Ca 0.10 1.27 0.08 0.00 -1.71 0.00 0.00 55.69 55.43 1xjj s MET 113 Cb 0.06 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.44 1xjj s MET 113 CO 0.09 0.08 0.15 0.95 -0.01 0.00 0.00 175.02 176.28 1xjj s THR 114 N 0.60 3.27 0.40 2.05 -4.23 -1.26 -5.02 115.64 111.45 1xjj s THR 114 Ca 0.46 -1.65 0.11 0.00 -1.18 0.00 0.00 61.69 59.44 1xjj s THR 114 Cb -0.21 -3.03 0.33 0.00 1.34 0.00 0.00 72.50 70.93 1xjj s THR 114 CO 0.26 -0.22 1.94 0.25 -0.54 0.00 0.00 174.62 176.30 1xjj h LEU 115 N 1.54 0.50 -0.45 4.79 5.85 -1.97 -1.97 115.31 123.61 1xjj h LEU 115 Ca -0.44 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.13 1xjj h LEU 115 Cb 1.25 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.19 1xjj h LEU 115 CO 0.62 0.29 -0.53 -0.08 -0.34 0.00 0.00 178.44 178.40 1xjj h GLU 116 N 0.55 0.69 -0.59 1.25 4.81 -1.98 -1.08 114.58 118.23 1xjj h GLU 116 Ca 0.35 -0.42 0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1xjj h GLU 116 Cb 0.60 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.93 1xjj h GLU 116 CO -0.12 1.04 0.07 -0.44 -0.73 0.00 0.00 179.01 178.83 1xjj h ASP 117 N 0.53 -0.12 -0.56 1.04 3.32 -1.77 0.72 116.42 119.58 1xjj h ASP 117 Ca 0.02 0.13 -0.10 0.00 0.02 0.00 0.00 57.03 57.09 1xjj h ASP 117 Cb 1.09 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.82 1xjj h ASP 117 CO 0.11 -0.05 -0.05 1.88 -1.72 0.00 0.00 179.24 179.41 1xjj h TYR 118 N 0.18 1.13 -0.52 4.55 -1.99 -1.22 -2.56 116.97 116.54 1xjj h TYR 118 Ca 0.31 -0.21 -0.07 0.00 2.00 0.00 0.00 58.73 60.76 1xjj h TYR 118 Cb 0.47 -0.29 -0.02 0.00 2.00 0.00 0.00 36.73 38.89 1xjj h TYR 118 CO -0.30 1.02 0.04 0.93 -0.00 0.00 0.00 178.16 179.86 1xjj h GLU 119 N 0.93 0.85 -0.45 4.88 5.08 -0.71 -1.99 114.58 123.18 1xjj h GLU 119 Ca 0.16 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1xjj h GLU 119 Cb 0.61 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xjj h GLU 119 CO 0.04 0.82 0.07 1.49 -1.00 0.00 0.00 179.01 180.44 1xjj h GLU 120 N 0.80 0.74 -0.41 2.33 4.81 -0.79 -1.57 114.58 120.49 1xjj h GLU 120 Ca 0.16 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1xjj h GLU 120 Cb 0.42 -0.09 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 1xjj h GLU 120 CO 0.01 0.77 -0.08 0.82 -0.73 0.00 0.00 179.01 179.80 1xjj h ILE 121 N 0.61 0.61 -0.48 2.32 2.04 -1.26 -1.85 117.51 119.49 1xjj h ILE 121 Ca 0.14 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 66.01 1xjj h ILE 121 Cb 0.38 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1xjj h ILE 121 CO 0.01 0.00 0.29 0.22 0.00 0.00 0.00 178.15 178.67 1xjj h TYR 122 N 0.02 0.54 0.00 1.37 3.20 -1.04 -2.87 116.97 118.20 1xjj h TYR 122 Ca 0.20 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 1xjj h TYR 122 Cb 0.30 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1xjj h TYR 122 CO -0.34 0.31 -0.34 0.00 -1.64 0.00 0.00 178.16 176.15 1xjj h ARG 123 N 0.58 0.00 -0.33 1.82 3.08 -0.99 -3.31 114.38 115.24 1xjj h ARG 123 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1xjj h ARG 123 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1xjj h ARG 123 CO -0.08 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.03 1xjj n SER 124 N -3.98 3.11 -4.69 7.04 3.41 -0.72 -4.91 113.62 112.87 1xjj n SER 124 Ca -0.02 -1.90 -0.42 0.00 -0.26 0.00 0.00 58.87 56.27 1xjj n SER 124 Cb 0.40 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 1xjj n SER 124 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xjj n ARG 125 N 1.15 2.84 -1.18 4.33 1.74 -1.18 -3.64 116.66 120.71 1xjj n ARG 125 Ca 0.16 1.03 -0.07 0.00 -0.77 0.00 0.00 57.85 58.19 1xjj n ARG 125 Cb 0.51 -2.94 0.04 0.00 -1.02 0.00 0.00 32.46 29.05 1xjj n ARG 125 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1xjj n ASN 126 N 5.84 0.39 0.03 0.55 0.23 -0.59 -4.94 115.26 116.78 1xjj n ASN 126 Ca 0.18 -1.34 0.08 0.00 -0.53 0.00 0.00 54.58 52.97 1xjj n ASN 126 Cb 0.38 -0.21 0.33 0.00 -2.08 0.00 0.00 39.78 38.20 1xjj n ASN 126 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xjj n HIS 127 N -1.90 0.20 1.12 -2.53 1.44 -1.26 -2.14 115.22 110.14 1xjj n HIS 127 Ca 0.05 0.08 0.12 0.00 -2.01 0.00 0.00 57.72 55.96 1xjj n HIS 127 Cb 0.18 -0.63 0.17 0.00 0.12 0.00 0.00 29.99 29.83 1xjj n HIS 127 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1xjj n LEU 128 N -1.68 2.02 -3.35 2.39 4.77 -1.26 -4.75 117.00 115.14 1xjj n LEU 128 Ca 0.03 -0.69 -0.35 0.00 -0.03 0.00 0.00 56.01 54.97 1xjj n LEU 128 Cb 0.17 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1xjj n LEU 128 CO 0.14 0.36 2.91 1.57 -1.33 0.00 0.00 177.39 181.04 1xjj n HIS 129 N 0.25 2.22 -3.64 -1.77 -0.00 -0.91 -4.89 115.22 106.49 1xjj n HIS 129 Ca 0.12 -2.65 -0.39 0.00 0.46 0.00 0.00 57.72 55.26 1xjj n HIS 129 Cb 0.47 -2.21 -0.11 0.00 -0.12 0.00 0.00 29.99 28.01 1xjj n HIS 129 CO 0.00 0.00 0.00 1.41 0.46 0.00 0.00 176.34 178.21 1xjj s MET 130 N 2.88 3.42 0.00 1.57 0.00 -1.24 -0.37 119.30 125.56 1xjj s MET 130 Ca 0.57 -0.67 0.15 0.00 0.00 0.00 0.00 55.69 55.74 1xjj s MET 130 Cb 0.15 -3.59 0.31 0.00 0.00 0.00 0.00 34.83 31.70 1xjj s MET 130 CO -0.04 -0.39 1.21 1.28 0.00 0.00 0.00 175.02 177.08 1xjj n LEU 131 N 5.00 2.90 -4.52 4.11 4.77 -1.26 -4.53 117.00 123.46 1xjj n LEU 131 Ca -0.14 -1.63 -0.33 0.00 -0.03 0.00 0.00 56.01 53.88 1xjj n LEU 131 Cb 0.50 -0.20 -0.12 0.00 -2.33 0.00 0.00 43.42 41.27 1xjj n LEU 131 CO 0.34 0.67 -0.43 -0.44 -1.33 0.00 0.00 177.39 176.20 1xjj s SER 132 N -1.10 4.26 0.12 -1.43 0.01 -1.26 -3.50 113.70 110.81 1xjj s SER 132 Ca 0.26 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.40 1xjj s SER 132 Cb 0.15 -0.94 -0.18 0.00 0.21 0.00 0.00 66.02 65.26 1xjj s SER 132 CO 0.21 0.32 1.28 0.00 0.41 0.00 0.00 173.24 175.46 1xjj h ALA 133 N 5.04 0.34 -3.37 1.44 0.00 -1.88 -3.42 119.26 117.42 1xjj h ALA 133 Ca -0.48 -0.88 -0.64 0.00 0.00 0.00 0.00 54.91 52.91 1xjj h ALA 133 Cb 1.16 -0.12 -0.33 0.00 0.00 0.00 0.00 17.79 18.50 1xjj h ALA 133 CO 0.51 1.16 -0.86 0.00 0.00 0.00 0.00 179.25 180.06 1xjj s PHE 135 N 0.41 0.15 -0.04 0.00 0.40 -0.57 -0.84 117.98 117.48 1xjj s PHE 135 Ca -0.18 -0.31 0.04 0.00 -0.60 0.00 0.00 56.93 55.88 1xjj s PHE 135 Cb -0.17 -0.12 -0.00 0.00 0.51 0.00 0.00 43.02 43.24 1xjj s PHE 135 CO 0.08 -0.20 -0.15 0.08 0.70 0.00 0.00 175.22 175.73 1xjj s VAL 136 N -1.26 1.22 0.08 -0.44 1.01 -1.01 -1.40 120.40 118.60 1xjj s VAL 136 Ca -0.14 -0.60 0.07 0.00 0.00 0.00 0.00 61.98 61.31 1xjj s VAL 136 Cb -0.08 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1xjj s VAL 136 CO 0.00 0.36 -0.18 0.68 0.00 0.00 0.00 175.10 175.96 1xjj s VAL 137 N 0.09 1.45 0.66 2.92 -7.23 -1.08 -0.90 120.40 116.31 1xjj s VAL 137 Ca -0.04 -1.37 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 1xjj s VAL 137 Cb -0.11 -1.33 -0.00 0.00 0.56 0.00 0.00 36.38 35.50 1xjj s VAL 137 CO 0.02 -0.08 1.07 -2.16 -0.31 0.00 0.00 175.10 173.63 1xjj s PRO 138 N -1.70 2.98 -0.42 4.82 0.04 -1.26 -4.46 135.00 134.99 1xjj s PRO 138 Ca 0.03 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.23 1xjj s PRO 138 Cb -0.10 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.58 1xjj s PRO 138 CO 0.03 -1.08 0.21 0.08 0.04 0.00 0.00 177.00 176.29 1xjj s VAL 139 N -2.71 1.44 0.86 -0.36 1.01 -1.26 -4.77 120.40 114.62 1xjj s VAL 139 Ca 0.62 -2.45 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 1xjj s VAL 139 Cb -0.16 -2.02 0.11 0.00 0.00 0.00 0.00 36.38 34.31 1xjj s VAL 139 CO 0.46 -0.85 1.10 -0.83 0.00 0.00 0.00 175.10 174.99 1xjj s GLY 140 N 0.49 1.61 -1.52 4.51 0.00 -1.26 -4.49 107.32 106.66 1xjj s GLY 140 Ca 0.16 -0.26 -0.10 0.00 0.00 0.00 0.00 44.72 44.53 1xjj s GLY 140 CO -0.03 0.22 2.66 1.34 0.00 0.00 0.00 173.10 177.30 1xjj n ASP 141 N -3.67 7.63 -3.65 1.64 2.03 -1.26 -4.06 116.55 115.21 1xjj n ASP 141 Ca 0.07 -2.77 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 1xjj n ASP 141 Cb 0.57 -1.53 -0.07 0.00 -0.72 0.00 0.00 41.12 39.37 1xjj n ASP 141 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xjj s SER 142 N 1.87 -0.35 0.25 1.67 1.04 -1.26 -4.97 113.70 111.95 1xjj s SER 142 Ca 0.61 0.21 -0.04 0.00 0.48 0.00 0.00 55.95 57.21 1xjj s SER 142 Cb 0.17 0.42 0.36 0.00 0.10 0.00 0.00 66.02 67.07 1xjj s SER 142 CO -0.07 -0.59 1.86 0.40 0.98 0.00 0.00 173.24 175.83 1xjj h ILE 143 N 3.26 1.05 -0.13 -1.02 1.08 -1.99 0.16 117.51 119.94 1xjj h ILE 143 Ca -0.30 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.82 1xjj h ILE 143 Cb 1.18 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 1xjj h ILE 143 CO 0.41 0.19 0.08 -0.08 -0.69 0.00 0.00 178.15 178.06 1xjj h GLU 144 N 1.04 0.16 -0.08 2.37 4.57 -1.96 -1.83 114.58 118.85 1xjj h GLU 144 Ca 0.40 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.40 1xjj h GLU 144 Cb 0.18 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 1xjj h GLU 144 CO -0.18 0.11 -0.67 0.93 -1.18 0.00 0.00 179.01 178.02 1xjj h GLU 145 N 0.17 0.35 -0.41 1.92 5.08 -1.69 0.86 114.58 120.86 1xjj h GLU 145 Ca 0.05 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1xjj h GLU 145 Cb -0.02 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1xjj h GLU 145 CO -0.01 0.89 0.25 0.82 -1.00 0.00 0.00 179.01 179.96 1xjj h ILE 146 N 0.25 1.14 0.00 3.13 2.04 -0.51 -0.82 117.51 122.74 1xjj h ILE 146 Ca -0.02 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1xjj h ILE 146 Cb 1.21 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.88 1xjj h ILE 146 CO 0.11 0.14 -0.74 -0.26 0.00 0.00 0.00 178.15 177.40 1xjj h PHE 147 N 0.54 0.00 -0.62 1.37 0.04 -1.31 -1.51 116.94 115.46 1xjj h PHE 147 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.93 1xjj h PHE 147 Cb 0.01 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1xjj h PHE 147 CO -0.03 0.54 0.41 1.49 -0.60 0.00 0.00 178.31 180.12 1xjj h GLU 148 N 0.00 0.80 -0.52 1.51 4.57 -0.69 -2.47 114.58 117.78 1xjj h GLU 148 Ca -0.04 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.06 1xjj h GLU 148 Cb 1.45 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.83 1xjj h GLU 148 CO 0.06 0.53 0.17 0.00 -1.18 0.00 0.00 179.01 178.59 1xjj h ALA 149 N 1.24 1.33 -0.32 2.92 0.00 -1.03 -1.26 119.26 122.13 1xjj h ALA 149 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xjj h ALA 149 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1xjj h ALA 149 CO -0.06 0.49 0.21 0.28 0.00 0.00 0.00 179.25 180.16 1xjj h VAL 150 N 0.75 1.07 -0.66 0.00 2.07 -1.10 -0.97 116.25 117.40 1xjj h VAL 150 Ca 0.17 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.59 1xjj h VAL 150 Cb 0.21 0.62 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1xjj h VAL 150 CO -0.01 0.08 0.39 0.50 0.02 0.00 0.00 177.57 178.54 1xjj h LYS 151 N 0.42 0.72 -0.36 1.57 3.64 -1.26 -1.48 116.57 119.82 1xjj h LYS 151 Ca 0.12 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1xjj h LYS 151 Cb -0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 1xjj h LYS 151 CO -0.03 0.47 -0.08 0.93 -2.27 0.00 0.00 179.45 178.47 1xjj h GLU 152 N 0.74 0.60 -0.64 1.90 5.08 -0.82 -0.87 114.58 120.57 1xjj h GLU 152 Ca 0.28 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 1xjj h GLU 152 Cb 0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xjj h GLU 152 CO -0.15 0.69 0.32 1.88 -1.00 0.00 0.00 179.01 180.75 1xjj h TYR 153 N 0.56 0.90 -0.25 4.33 -1.99 -0.56 -0.35 116.97 119.62 1xjj h TYR 153 Ca 0.11 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.77 1xjj h TYR 153 Cb 0.48 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.92 1xjj h TYR 153 CO 0.02 0.67 0.03 0.00 -0.00 0.00 0.00 178.16 178.88 1xjj h ALA 154 N 1.15 0.33 -0.40 3.88 0.00 -0.83 0.11 119.26 123.50 1xjj h ALA 154 Ca 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1xjj h ALA 154 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1xjj h ALA 154 CO -0.03 0.02 0.17 -0.07 0.00 0.00 0.00 179.25 179.34 1xjj h LEU 155 N 0.22 0.54 -0.25 0.00 3.38 -0.92 -0.22 115.31 118.06 1xjj h LEU 155 Ca 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xjj h LEU 155 Cb 0.34 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1xjj h LEU 155 CO 0.01 0.55 0.10 0.40 0.09 0.00 0.00 178.44 179.58 1xjj h ILE 156 N 0.50 1.17 -0.51 1.22 2.04 -1.05 -2.92 117.51 117.96 1xjj h ILE 156 Ca 0.13 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.46 1xjj h ILE 156 Cb 0.17 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1xjj h ILE 156 CO -0.01 0.18 0.29 0.74 0.00 0.00 0.00 178.15 179.34 1xjj h THR 157 N 0.25 1.17 -0.78 -0.27 2.02 -0.86 -1.33 112.91 113.11 1xjj h THR 157 Ca 0.08 -0.42 0.17 0.00 0.77 0.00 0.00 66.41 67.01 1xjj h THR 157 Cb 0.18 0.52 -0.11 0.00 -1.74 0.00 0.00 68.15 67.00 1xjj h THR 157 CO -0.01 0.18 0.26 0.50 0.37 0.00 0.00 175.52 176.83 1xjj h LYS 158 N 0.68 0.34 -0.01 6.66 3.64 -1.00 -1.86 116.57 125.01 1xjj h LYS 158 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1xjj h LYS 158 Cb 0.03 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1xjj h LYS 158 CO -0.03 0.23 0.00 1.33 -2.27 0.00 0.00 179.45 178.71 1xjj n VAL 159 N -5.09 0.01 0.00 2.00 0.24 -1.08 -4.91 118.33 109.50 1xjj n VAL 159 Ca 0.16 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 1xjj n VAL 159 Cb 0.49 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 33.05 1xjj n VAL 159 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1xjj n GLY 160 N 1.12 1.27 3.93 7.63 0.00 -0.70 -4.70 105.19 113.73 1xjj n GLY 160 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1xjj n GLY 160 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xjj s GLY 161 N -2.00 1.38 -0.10 -0.02 0.00 -0.52 -4.81 107.32 101.25 1xjj s GLY 161 Ca 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1xjj s GLY 161 CO 0.00 -0.72 -0.18 -0.32 0.00 0.00 0.00 173.10 171.88 1xjj s GLY 162 N -4.04 1.44 0.06 0.20 0.00 0.50 -4.18 107.32 101.30 1xjj s GLY 162 Ca 0.42 -0.95 0.08 0.00 0.00 0.00 0.00 44.72 44.27 1xjj s GLY 162 CO 0.38 -0.36 -0.22 0.54 0.00 0.00 0.00 173.10 173.44 1xjj s VAL 163 N 0.15 1.77 0.18 1.40 0.11 -1.26 -1.52 120.40 121.23 1xjj s VAL 163 Ca -0.10 -1.31 0.06 0.00 -2.93 0.00 0.00 61.98 57.70 1xjj s VAL 163 Cb -0.16 -1.55 -0.05 0.00 -1.53 0.00 0.00 36.38 33.10 1xjj s VAL 163 CO 0.06 0.19 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.08 1xjj s GLY 164 N -1.34 1.26 0.04 6.54 0.00 -0.49 -2.07 107.32 111.26 1xjj s GLY 164 Ca 0.08 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.18 1xjj s GLY 164 CO 0.02 -1.67 0.03 -0.56 0.00 0.00 0.00 173.10 170.93 1xjj s SER 165 N -3.24 0.28 -0.18 1.64 0.01 -0.52 -2.64 113.70 109.05 1xjj s SER 165 Ca 0.20 -0.67 -0.19 0.00 1.31 0.00 0.00 55.95 56.61 1xjj s SER 165 Cb 0.02 0.19 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 1xjj s SER 165 CO 0.04 -0.50 0.52 0.21 0.41 0.00 0.00 173.24 173.92 1xjj s ASN 166 N -2.23 6.61 -0.17 2.44 3.84 -1.26 -1.11 114.94 123.06 1xjj s ASN 166 Ca -0.04 0.73 0.15 0.00 0.21 0.00 0.00 52.86 53.92 1xjj s ASN 166 Cb -0.00 -2.30 0.73 0.00 -0.55 0.00 0.00 41.25 39.13 1xjj s ASN 166 CO -0.06 -0.15 1.64 0.49 -2.79 0.00 0.00 177.10 176.23 1xjj n PHE 167 N 4.53 1.70 0.22 0.43 3.01 0.18 -4.46 117.46 123.07 1xjj n PHE 167 Ca -0.05 -0.63 0.09 0.00 1.01 0.00 0.00 57.45 57.87 1xjj n PHE 167 Cb 0.51 -0.36 0.46 0.00 -0.01 0.00 0.00 39.48 40.08 1xjj n PHE 167 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 1xjj h SER 168 N 3.85 0.00 0.02 4.37 0.02 -1.90 -2.35 113.55 117.56 1xjj h SER 168 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xjj h SER 168 Cb 1.65 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 1xjj h SER 168 CO 0.34 0.26 -0.01 -0.33 -1.14 0.00 0.00 176.83 175.95 1xjj h GLU 169 N 0.00 0.00 -6.33 3.45 4.39 -1.81 -3.43 114.58 110.86 1xjj h GLU 169 Ca -0.00 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.15 1xjj h GLU 169 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1xjj h GLU 169 CO 0.03 0.01 0.79 -0.51 -1.16 0.00 0.00 179.01 178.18 1xjj s LEU 170 N -8.06 4.29 0.45 1.33 1.43 -0.89 -4.41 118.68 112.82 1xjj s LEU 170 Ca -0.05 1.96 -0.24 0.00 -1.03 0.00 0.00 54.13 54.77 1xjj s LEU 170 Cb 0.16 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.74 1xjj s LEU 170 CO 0.58 -0.67 1.28 0.00 0.23 0.00 0.00 176.35 177.77 1xjj s ARG 171 N 2.47 3.75 0.89 1.70 1.70 -1.26 -4.44 118.95 123.76 1xjj s ARG 171 Ca 0.60 2.08 -0.12 0.00 -0.47 0.00 0.00 55.73 57.82 1xjj s ARG 171 Cb -0.28 -2.57 0.10 0.00 -0.57 0.00 0.00 34.95 31.63 1xjj s ARG 171 CO 0.24 -0.65 0.97 -0.35 -1.08 0.00 0.00 175.30 174.42 1xjj n PRO 172 N -0.26 -0.24 -1.63 3.89 -0.04 -1.26 -3.94 135.00 131.52 1xjj n PRO 172 Ca 0.06 -0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.08 1xjj n PRO 172 Cb 0.45 -2.25 -0.01 0.00 -0.04 0.00 0.00 33.50 31.65 1xjj n PRO 172 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1xjj n LYS 173 N -3.29 1.60 -0.67 0.54 4.81 -1.26 -1.93 118.16 117.95 1xjj n LYS 173 Ca 0.11 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1xjj n LYS 173 Cb 0.52 -2.03 0.00 0.00 0.02 0.00 0.00 35.03 33.54 1xjj n LYS 173 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xjj n GLY 174 N 1.07 0.82 3.78 3.14 0.00 0.52 -4.92 105.19 109.60 1xjj n GLY 174 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1xjj n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjj s SER 175 N -2.91 5.38 0.25 1.61 0.01 -0.81 -4.69 113.70 112.53 1xjj s SER 175 Ca 0.00 2.00 -0.31 0.00 1.31 0.00 0.00 55.95 58.94 1xjj s SER 175 Cb 0.00 -2.55 -0.12 0.00 0.21 0.00 0.00 66.02 63.56 1xjj s SER 175 CO 0.00 -1.45 1.67 0.33 0.41 0.00 0.00 173.24 174.21 1xjj n PHE 176 N -2.10 2.81 -4.48 2.43 7.35 -1.26 -0.82 117.46 121.39 1xjj n PHE 176 Ca 0.10 0.13 -0.33 0.00 -0.76 0.00 0.00 57.45 56.58 1xjj n PHE 176 Cb 0.52 -2.64 -0.14 0.00 0.35 0.00 0.00 39.48 37.56 1xjj n PHE 176 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1xjj s VAL 177 N 0.67 3.11 0.64 -2.13 1.01 -1.24 -4.75 120.40 117.71 1xjj s VAL 177 Ca 0.70 -0.62 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 1xjj s VAL 177 Cb -0.50 -2.34 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xjj s VAL 177 CO 0.39 0.50 1.27 0.00 0.00 0.00 0.00 175.10 177.26 1xjj s ALA 178 N 0.71 2.38 -0.81 5.51 0.00 -1.26 -2.94 121.76 125.36 1xjj s ALA 178 Ca -0.05 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1xjj s ALA 178 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1xjj s ALA 178 CO 0.02 -1.54 0.00 0.41 0.00 0.00 0.00 175.76 174.65 1xjj n GLY 179 N 0.77 0.75 3.27 0.00 0.00 -1.26 -4.91 105.19 103.81 1xjj n GLY 179 Ca 0.15 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.98 1xjj n GLY 179 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xjj s THR 180 N -1.69 0.06 -0.25 2.61 -4.23 -1.15 -5.07 115.64 105.91 1xjj s THR 180 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1xjj s THR 180 Cb 0.00 -2.50 0.01 0.00 1.34 0.00 0.00 72.50 71.35 1xjj s THR 180 CO 0.00 0.00 0.47 1.41 -0.54 0.00 0.00 174.62 175.96 1xjj n HIS 181 N -0.53 0.00 -2.15 3.99 -0.00 -1.26 -4.75 115.22 110.52 1xjj n HIS 181 Ca 0.05 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.44 1xjj n HIS 181 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.62 1xjj n HIS 181 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1xjj s GLY 182 N -0.40 2.07 0.14 -1.41 0.00 -1.26 -5.01 107.32 101.45 1xjj s GLY 182 Ca 0.02 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.06 1xjj s GLY 182 CO 0.04 0.59 0.18 0.54 0.00 0.00 0.00 173.10 174.45 1xjj s LYS 183 N -4.14 3.12 0.39 2.90 -0.14 -1.26 -3.66 119.74 116.95 1xjj s LYS 183 Ca 0.61 -0.71 -0.27 0.00 -1.36 0.00 0.00 55.97 54.24 1xjj s LYS 183 Cb -0.13 -2.80 -0.09 0.00 -1.68 0.00 0.00 37.83 33.12 1xjj s LYS 183 CO 0.36 0.52 1.34 0.00 -0.76 0.00 0.00 175.35 176.81 1xjj s ALA 184 N -1.67 3.35 0.02 5.17 0.00 0.00 -4.82 121.76 123.82 1xjj s ALA 184 Ca 0.32 1.31 0.12 0.00 0.00 0.00 0.00 51.96 53.72 1xjj s ALA 184 Cb -0.11 -3.51 0.08 0.00 0.00 0.00 0.00 23.12 19.58 1xjj s ALA 184 CO 0.25 -0.86 1.44 0.66 0.00 0.00 0.00 175.76 177.26 1xjj h SER 185 N 2.84 0.00 -5.00 0.00 4.64 -1.87 0.15 113.55 114.31 1xjj h SER 185 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1xjj h SER 185 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1xjj h SER 185 CO 0.63 0.66 0.00 0.61 -0.87 0.00 0.00 176.83 177.87 1xjj n GLY 186 N 1.05 2.57 0.36 -0.77 0.00 -1.25 -4.21 105.19 102.93 1xjj n GLY 186 Ca 0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.08 1xjj n GLY 186 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xjj h PRO 187 N 0.00 1.09 -0.02 1.61 0.13 -1.78 -2.95 132.00 130.09 1xjj h PRO 187 Ca 0.00 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1xjj h PRO 187 Cb 0.00 -0.25 -0.02 0.00 0.13 0.00 0.00 31.00 30.87 1xjj h PRO 187 CO 0.00 0.72 -0.58 0.28 -0.23 0.00 0.00 178.00 178.19 1xjj h VAL 188 N 1.12 1.41 -0.36 1.56 2.07 -1.94 -1.05 116.25 119.06 1xjj h VAL 188 Ca 0.31 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.84 1xjj h VAL 188 Cb -0.11 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1xjj h VAL 188 CO -0.07 0.57 0.15 0.77 0.02 0.00 0.00 177.57 179.00 1xjj h SER 189 N 0.05 0.49 -0.48 0.57 4.64 -1.77 -3.08 113.55 113.98 1xjj h SER 189 Ca -0.00 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 61.06 1xjj h SER 189 Cb 1.04 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.98 1xjj h SER 189 CO 0.08 0.52 -0.04 -0.26 -0.87 0.00 0.00 176.83 176.27 1xjj h PHE 190 N 0.44 1.01 -0.77 4.77 0.04 -1.39 -2.61 116.94 118.42 1xjj h PHE 190 Ca 0.12 -0.17 0.19 0.00 2.80 0.00 0.00 57.97 60.91 1xjj h PHE 190 Cb 0.18 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 1xjj h PHE 190 CO -0.00 0.93 0.53 0.52 -0.60 0.00 0.00 178.31 179.69 1xjj h MET 191 N 0.85 0.18 -0.61 1.51 2.86 -1.17 0.45 114.93 119.00 1xjj h MET 191 Ca 0.15 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.81 1xjj h MET 191 Cb 0.55 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1xjj h MET 191 CO 0.03 0.12 0.41 0.45 1.06 0.00 0.00 176.91 178.98 1xjj h HIS 192 N 0.19 0.71 -0.09 -0.22 3.86 -1.37 0.58 115.15 118.80 1xjj h HIS 192 Ca 0.38 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.57 1xjj h HIS 192 Cb 1.21 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 29.45 1xjj h HIS 192 CO -0.00 0.42 -0.09 0.28 0.86 0.00 0.00 177.93 179.40 1xjj h VAL 193 N 0.74 1.36 -0.55 2.45 2.07 -1.02 -1.01 116.25 120.29 1xjj h VAL 193 Ca 0.24 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.60 1xjj h VAL 193 Cb 0.06 1.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.74 1xjj h VAL 193 CO -0.06 0.35 0.25 -0.26 0.02 0.00 0.00 177.57 177.86 1xjj h PHE 194 N -0.19 0.45 -1.00 1.57 0.04 -1.17 -0.45 116.94 116.20 1xjj h PHE 194 Ca 0.02 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.84 1xjj h PHE 194 Cb 0.59 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.56 1xjj h PHE 194 CO 0.09 0.19 0.66 -0.97 -0.60 0.00 0.00 178.31 177.68 1xjj h ASN 195 N 0.48 1.11 -0.02 2.17 -1.24 -0.75 -2.29 115.58 115.04 1xjj h ASN 195 Ca 0.25 -0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.25 1xjj h ASN 195 Cb 0.21 -0.26 -0.00 0.00 0.73 0.00 0.00 38.32 39.00 1xjj h ASN 195 CO -0.21 0.78 0.01 0.28 -1.29 0.00 0.00 177.43 177.00 1xjj h SER 196 N 1.30 0.02 -0.29 1.15 0.02 -0.82 0.11 113.55 115.04 1xjj h SER 196 Ca 0.39 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1xjj h SER 196 Cb -0.05 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 62.41 1xjj h SER 196 CO -0.11 0.17 -0.35 0.00 -1.14 0.00 0.00 176.83 175.40 1xjj h ALA 197 N 0.86 -0.32 -0.08 3.77 0.00 -0.93 -2.65 119.26 119.92 1xjj h ALA 197 Ca 0.01 0.06 -0.19 0.00 0.00 0.00 0.00 54.91 54.79 1xjj h ALA 197 Cb 0.15 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1xjj h ALA 197 CO -0.00 -0.79 -0.75 0.82 0.00 0.00 0.00 179.25 178.53 1xjj h ILE 198 N -0.33 1.38 -0.25 0.00 1.08 -1.37 -1.01 117.51 117.01 1xjj h ILE 198 Ca 0.13 -2.16 0.05 0.00 -0.39 0.00 0.00 64.86 62.50 1xjj h ILE 198 Cb 0.56 2.13 -0.01 0.00 -3.07 0.00 0.00 36.82 36.43 1xjj h ILE 198 CO -0.47 0.65 0.17 0.77 -0.69 0.00 0.00 178.15 178.58 1xjj h SER 199 N 0.28 0.09 0.05 1.72 4.64 -0.66 0.87 113.55 120.55 1xjj h SER 199 Ca -0.04 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.20 1xjj h SER 199 Cb 1.33 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 63.41 1xjj h SER 199 CO 0.13 0.06 -0.35 0.58 -0.87 0.00 0.00 176.83 176.38 1xjj h VAL 200 N 0.11 1.64 -0.87 0.95 2.07 -1.20 -2.24 116.25 116.71 1xjj h VAL 200 Ca 0.11 -2.32 0.13 0.00 0.82 0.00 0.00 66.70 65.44 1xjj h VAL 200 Cb 0.32 3.18 -0.07 0.00 -1.52 0.00 0.00 31.29 33.21 1xjj h VAL 200 CO -0.01 0.63 0.56 0.58 0.02 0.00 0.00 177.57 179.35 1xjj h VAL 201 N -0.66 0.88 -0.42 2.57 2.07 -0.94 -2.07 116.25 117.68 1xjj h VAL 201 Ca -0.06 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1xjj h VAL 201 Cb 1.23 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1xjj h VAL 201 CO 0.07 0.13 0.00 0.29 0.02 0.00 0.00 177.57 178.08 1xjj n LYS 202 N -4.55 2.23 -0.05 1.57 5.02 0.28 -4.96 118.16 117.71 1xjj n LYS 202 Ca 0.16 -1.88 -0.00 0.00 -2.02 0.00 0.00 58.31 54.57 1xjj n LYS 202 Cb 0.41 -1.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.98 1xjj n LYS 202 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1xjj n GLN 203 N 1.05 0.09 -3.67 1.97 7.27 -0.78 -5.03 117.38 118.29 1xjj n GLN 203 Ca 0.18 -0.01 -0.25 0.00 0.07 0.00 0.00 57.00 57.00 1xjj n GLN 203 Cb 0.48 -1.47 0.02 0.00 2.41 0.00 0.00 30.24 31.67 1xjj n GLN 203 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xjj s ALA 210 N 1.94 4.54 0.26 1.69 0.00 -1.26 -5.04 121.76 123.89 1xjj s ALA 210 Ca 0.01 -1.46 0.10 0.00 0.00 0.00 0.00 51.96 50.60 1xjj s ALA 210 Cb 0.00 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1xjj s ALA 210 CO 0.00 -0.58 -0.01 -0.51 0.00 0.00 0.00 175.76 174.66 1xjj s LEU 211 N -4.40 3.19 -0.22 0.00 1.43 0.51 -4.46 118.68 114.72 1xjj s LEU 211 Ca 0.41 -0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 52.79 1xjj s LEU 211 Cb -0.03 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 1xjj s LEU 211 CO 0.26 0.00 0.09 -0.32 0.23 0.00 0.00 176.35 176.61 1xjj s MET 212 N -3.65 3.86 -0.09 1.70 -2.45 -0.88 0.13 119.30 117.92 1xjj s MET 212 Ca 0.31 -0.39 0.03 0.00 -1.25 0.00 0.00 55.69 54.40 1xjj s MET 212 Cb -0.06 -3.34 0.01 0.00 1.25 0.00 0.00 34.83 32.68 1xjj s MET 212 CO 0.20 0.03 -0.19 0.20 1.05 0.00 0.00 175.02 176.30 1xjj s GLY 213 N 1.07 1.11 -0.05 2.11 0.00 0.01 -1.44 107.32 110.12 1xjj s GLY 213 Ca 0.05 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.08 1xjj s GLY 213 CO 0.04 -0.13 -0.23 -0.42 0.00 0.00 0.00 173.10 172.35 1xjj s ILE 214 N 0.49 1.89 0.04 0.90 1.01 -0.26 -1.36 121.20 123.91 1xjj s ILE 214 Ca -0.17 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.58 1xjj s ILE 214 Cb -0.17 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1xjj s ILE 214 CO 0.06 0.53 -0.20 -0.22 0.00 0.00 0.00 174.94 175.12 1xjj s LEU 215 N -0.10 2.16 0.34 2.97 2.96 -1.14 0.50 118.68 126.37 1xjj s LEU 215 Ca -0.04 -0.51 -0.19 0.00 -0.22 0.00 0.00 54.13 53.17 1xjj s LEU 215 Cb -0.13 -0.91 -0.10 0.00 0.50 0.00 0.00 46.19 45.55 1xjj s LEU 215 CO 0.03 0.14 0.83 0.20 -1.32 0.00 0.00 176.35 176.23 1xjj s ASN 216 N -1.15 6.95 0.57 3.68 0.01 -1.26 0.09 114.94 123.83 1xjj s ASN 216 Ca 0.06 1.50 0.25 0.00 -0.71 0.00 0.00 52.86 53.97 1xjj s ASN 216 Cb -0.09 -2.46 1.60 0.00 0.41 0.00 0.00 41.25 40.71 1xjj s ASN 216 CO 0.02 -0.19 2.17 -0.29 -1.51 0.00 0.00 177.10 177.29 1xjj h ILE 217 N 2.17 0.66 -0.51 0.60 6.09 -1.02 -1.54 117.51 123.95 1xjj h ILE 217 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1xjj h ILE 217 Cb 1.18 0.94 0.00 0.00 0.47 0.00 0.00 36.82 39.41 1xjj h ILE 217 CO 0.64 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 175.26 1xjj n ASN 218 N -4.07 2.81 -4.74 2.19 0.23 -1.26 -4.88 115.26 105.55 1xjj n ASN 218 Ca -0.01 -2.02 -0.41 0.00 -0.53 0.00 0.00 54.58 51.61 1xjj n ASN 218 Cb 0.19 -0.35 -0.04 0.00 -2.08 0.00 0.00 39.78 37.49 1xjj n ASN 218 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 1xjj s HIS 219 N -1.34 3.59 -0.09 -2.53 2.46 -0.58 -1.47 115.29 115.33 1xjj s HIS 219 Ca 0.35 1.61 0.27 0.00 0.47 0.00 0.00 55.06 57.75 1xjj s HIS 219 Cb 0.18 -3.28 1.37 0.00 -0.13 0.00 0.00 32.58 30.72 1xjj s HIS 219 CO 0.23 -0.61 1.81 -1.35 -2.47 0.00 0.00 174.74 172.35 1xjj h PRO 220 N 4.94 0.00 -0.64 2.88 0.11 -1.85 -1.09 132.00 136.36 1xjj h PRO 220 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xjj h PRO 220 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xjj h PRO 220 CO 0.72 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.26 1xjj n ASP 221 N -2.44 4.89 -0.33 -2.05 8.00 -1.26 -4.57 116.55 118.79 1xjj n ASP 221 Ca -0.01 -2.68 -0.01 0.00 0.71 0.00 0.00 54.79 52.80 1xjj n ASP 221 Cb 0.09 -0.63 0.16 0.00 -0.02 0.00 0.00 41.12 40.72 1xjj n ASP 221 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1xjj h ILE 222 N 3.55 1.23 -0.64 0.53 6.09 -1.50 -1.47 117.51 125.30 1xjj h ILE 222 Ca 0.00 -0.43 -0.03 0.00 -1.37 0.00 0.00 64.86 63.03 1xjj h ILE 222 Cb 1.65 -0.13 -0.03 0.00 0.47 0.00 0.00 36.82 38.79 1xjj h ILE 222 CO 0.36 0.23 0.28 -0.33 -3.07 0.00 0.00 178.15 175.62 1xjj h GLU 223 N 1.25 0.93 -0.35 2.19 5.08 -1.83 0.15 114.58 122.00 1xjj h GLU 223 Ca 0.34 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1xjj h GLU 223 Cb -0.13 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 28.92 1xjj h GLU 223 CO -0.08 0.77 0.11 1.49 -1.00 0.00 0.00 179.01 180.30 1xjj h GLU 224 N 0.89 0.24 -0.47 2.33 4.81 -1.75 -2.97 114.58 117.66 1xjj h GLU 224 Ca 0.22 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 1xjj h GLU 224 Cb 0.16 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1xjj h GLU 224 CO -0.02 0.16 0.23 0.35 -0.73 0.00 0.00 179.01 179.00 1xjj h PHE 225 N 0.25 0.43 -0.85 0.92 3.57 -0.81 -1.95 116.94 118.49 1xjj h PHE 225 Ca 0.16 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.81 1xjj h PHE 225 Cb 0.15 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 38.70 1xjj h PHE 225 CO -0.15 0.21 0.55 0.82 -2.23 0.00 0.00 178.31 177.51 1xjj h ILE 226 N 0.46 0.88 -0.13 1.41 2.04 -0.83 -1.36 117.51 119.99 1xjj h ILE 226 Ca 0.21 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1xjj h ILE 226 Cb 0.12 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1xjj h ILE 226 CO -0.15 0.13 0.00 0.47 0.00 0.00 0.00 178.15 178.60 1xjj n ASP 227 N -4.54 2.00 0.23 1.72 8.00 -1.01 -4.43 116.55 118.53 1xjj n ASP 227 Ca 0.16 -1.71 0.16 0.00 0.71 0.00 0.00 54.79 54.11 1xjj n ASP 227 Cb 0.42 -0.08 0.75 0.00 -0.02 0.00 0.00 41.12 42.19 1xjj n ASP 227 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjj h ALA 228 N 4.29 1.00 -0.10 2.24 0.00 -0.47 0.06 119.26 126.29 1xjj h ALA 228 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1xjj h ALA 228 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1xjj h ALA 228 CO 0.00 0.00 -0.31 1.63 0.00 0.00 0.00 179.25 180.57 1xjj n LYS 229 N -2.71 1.66 -2.75 0.00 5.02 -1.26 -3.28 118.16 114.84 1xjj n LYS 229 Ca -0.00 -3.17 -0.42 0.00 -2.02 0.00 0.00 58.31 52.70 1xjj n LYS 229 Cb 0.18 -1.66 -0.03 0.00 -0.02 0.00 0.00 35.03 33.49 1xjj n LYS 229 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xjj s LYS 230 N -3.18 4.39 -0.04 1.97 2.20 0.01 -4.98 119.74 120.11 1xjj s LYS 230 Ca 0.39 1.28 -0.30 0.00 -0.36 0.00 0.00 55.97 56.98 1xjj s LYS 230 Cb 0.37 -3.55 -0.05 0.00 -1.51 0.00 0.00 37.83 33.08 1xjj s LYS 230 CO -0.03 -0.31 1.56 -2.00 -0.36 0.00 0.00 175.35 174.21 1xjj s GLU 231 N 2.04 4.21 -0.16 4.03 2.12 -1.26 -4.81 118.70 124.87 1xjj s GLU 231 Ca 0.45 2.11 -0.15 0.00 0.36 0.00 0.00 54.97 57.75 1xjj s GLU 231 Cb -0.18 -3.83 -0.05 0.00 0.26 0.00 0.00 34.13 30.34 1xjj s GLU 231 CO 0.16 -0.76 -0.28 0.09 -0.54 0.00 0.00 175.26 173.93 1xjj n ASN 232 N 6.51 1.75 -3.27 -1.70 3.02 -1.26 -5.22 115.26 115.08 1xjj n ASN 232 Ca 0.16 0.38 0.03 0.00 -0.03 0.00 0.00 54.58 55.11 1xjj n ASN 232 Cb 0.43 -0.75 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 1xjj n ASN 232 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1xjj s VAL 237 N -2.60 -0.29 -1.42 2.41 0.11 -1.26 -5.33 120.40 112.02 1xjj s VAL 237 Ca -0.23 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.70 1xjj s VAL 237 Cb 0.03 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.95 1xjj s VAL 237 CO 0.35 0.00 2.23 0.18 -3.33 0.00 0.00 175.10 174.53 1xjj n LEU 238 N 4.90 7.12 0.20 2.54 4.77 -1.21 -4.79 117.00 130.53 1xjj n LEU 238 Ca -0.08 -4.36 0.15 0.00 -0.03 0.00 0.00 56.01 51.69 1xjj n LEU 238 Cb 0.54 -1.58 0.55 0.00 -2.33 0.00 0.00 43.42 40.61 1xjj n LEU 238 CO -0.06 1.36 0.92 -0.55 -1.33 0.00 0.00 177.39 177.73 1xjj h ASN 239 N 5.72 0.00 0.05 -1.43 7.08 -1.95 -1.29 115.58 123.76 1xjj h ASN 239 Ca 0.57 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.79 1xjj h ASN 239 Cb 0.57 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.81 1xjj h ASN 239 CO 1.78 0.00 -0.07 0.49 -2.08 0.00 0.00 177.43 177.55 1xjj n PHE 240 N -2.69 0.00 -3.83 4.14 3.01 -1.26 -4.91 117.46 111.91 1xjj n PHE 240 Ca 0.02 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.11 1xjj n PHE 240 Cb 0.30 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.68 1xjj n PHE 240 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1xjj s PHE 241 N -2.13 3.60 0.14 1.38 0.40 -0.49 -0.36 117.98 120.51 1xjj s PHE 241 Ca 0.34 0.56 -0.21 0.00 -0.60 0.00 0.00 56.93 57.02 1xjj s PHE 241 Cb 0.20 -1.99 -0.07 0.00 0.51 0.00 0.00 43.02 41.67 1xjj s PHE 241 CO 0.38 0.70 0.66 -0.80 0.70 0.00 0.00 175.22 176.87 1xjj s ASN 242 N -0.93 7.15 -0.04 1.36 0.01 0.34 -4.86 114.94 117.96 1xjj s ASN 242 Ca 0.15 1.40 0.07 0.00 -0.71 0.00 0.00 52.86 53.77 1xjj s ASN 242 Cb -0.12 -2.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1xjj s ASN 242 CO 0.05 0.19 -0.25 -0.76 -1.51 0.00 0.00 177.10 174.81 1xjj s LEU 243 N -1.37 2.06 0.08 0.60 1.02 -1.26 -0.81 118.68 119.00 1xjj s LEU 243 Ca 0.35 -0.49 0.05 0.00 0.02 0.00 0.00 54.13 54.05 1xjj s LEU 243 Cb -0.20 -1.35 -0.03 0.00 0.02 0.00 0.00 46.19 44.63 1xjj s LEU 243 CO 0.22 0.27 -0.13 -0.44 0.02 0.00 0.00 176.35 176.29 1xjj s SER 244 N -0.33 1.63 -0.01 2.29 0.01 -0.46 -1.69 113.70 115.14 1xjj s SER 244 Ca 0.02 -0.67 -0.21 0.00 1.31 0.00 0.00 55.95 56.40 1xjj s SER 244 Cb -0.12 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.02 1xjj s SER 244 CO 0.02 -0.12 0.63 -0.69 0.41 0.00 0.00 173.24 173.49 1xjj s VAL 245 N -1.56 4.91 -0.05 3.43 1.01 0.62 -2.86 120.40 125.89 1xjj s VAL 245 Ca -0.00 1.31 -0.13 0.00 0.00 0.00 0.00 61.98 63.16 1xjj s VAL 245 Cb -0.08 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.28 1xjj s VAL 245 CO 0.02 0.39 0.34 -0.83 0.00 0.00 0.00 175.10 175.02 1xjj s GLY 246 N -0.02 2.37 -0.58 4.51 0.00 0.11 -0.75 107.32 112.97 1xjj s GLY 246 Ca 0.33 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.75 1xjj s GLY 246 CO 0.18 0.12 0.37 -1.36 0.00 0.00 0.00 173.10 172.41 1xjj s PHE 247 N -0.74 2.92 -0.44 1.90 0.08 -0.13 -0.33 117.98 121.25 1xjj s PHE 247 Ca 0.21 -3.03 0.26 0.00 0.12 0.00 0.00 56.93 54.50 1xjj s PHE 247 Cb -0.15 -2.39 0.89 0.00 -0.57 0.00 0.00 43.02 40.80 1xjj s PHE 247 CO 0.10 -0.67 1.77 -1.00 -0.10 0.00 0.00 175.22 175.32 1xjj h PRO 248 N 5.94 0.00 -7.59 0.24 0.13 -1.92 -1.95 132.00 126.85 1xjj h PRO 248 Ca 0.07 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.75 1xjj h PRO 248 Cb 0.84 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.10 1xjj h PRO 248 CO 0.63 0.00 0.34 0.00 -0.23 0.00 0.00 178.00 178.74 1xjj s MET 249 N -3.30 0.95 0.22 0.86 0.23 -1.26 -3.54 119.30 113.46 1xjj s MET 249 Ca 0.06 0.03 -0.30 0.00 -1.03 0.00 0.00 55.69 54.45 1xjj s MET 249 Cb 0.09 -1.84 -0.10 0.00 -1.53 0.00 0.00 34.83 31.46 1xjj s MET 249 CO 0.53 -2.28 1.42 0.34 -2.03 0.00 0.00 175.02 173.00 1xjj s ASP 250 N -4.36 6.71 0.31 -1.18 -1.08 -1.26 -4.11 116.67 111.70 1xjj s ASP 250 Ca 0.67 2.58 0.08 0.00 -0.52 0.00 0.00 52.55 55.36 1xjj s ASP 250 Cb -0.11 -2.62 0.88 0.00 -1.46 0.00 0.00 42.92 39.62 1xjj s ASP 250 CO 0.52 -0.67 1.68 0.11 0.52 0.00 0.00 175.17 177.34 1xjj h LYS 251 N 5.33 0.35 -0.55 4.34 1.57 -1.92 -2.12 116.57 123.57 1xjj h LYS 251 Ca -0.45 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1xjj h LYS 251 Cb 1.22 -0.08 -0.06 0.00 0.08 0.00 0.00 32.23 33.39 1xjj h LYS 251 CO 0.79 0.23 0.24 0.87 -0.57 0.00 0.00 179.45 181.01 1xjj h LYS 252 N 0.36 0.43 -0.24 3.15 1.57 -1.91 -0.14 116.57 119.78 1xjj h LYS 252 Ca 0.64 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.41 1xjj h LYS 252 Cb 1.32 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 1xjj h LYS 252 CO -0.58 0.29 0.09 0.93 -0.57 0.00 0.00 179.45 179.61 1xjj h GLU 253 N 0.45 0.20 -0.44 3.15 5.08 -1.77 -1.42 114.58 119.82 1xjj h GLU 253 Ca 0.26 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1xjj h GLU 253 Cb 0.25 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1xjj h GLU 253 CO -0.23 0.13 -0.05 0.82 -1.00 0.00 0.00 179.01 178.68 1xjj h ILE 254 N 0.20 1.27 0.00 3.13 1.08 -1.28 -2.03 117.51 119.89 1xjj h ILE 254 Ca 0.11 -1.13 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1xjj h ILE 254 Cb 0.07 1.11 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 1xjj h ILE 254 CO -0.10 0.39 -0.08 0.25 -0.69 0.00 0.00 178.15 177.91 1xjj h LEU 255 N 0.65 -0.24 -0.53 1.44 5.85 -0.93 -1.51 115.31 120.04 1xjj h LEU 255 Ca 0.12 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1xjj h LEU 255 Cb 0.57 0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 1xjj h LEU 255 CO 0.03 -0.12 0.03 0.50 -0.34 0.00 0.00 178.44 178.54 1xjj h LYS 256 N -0.15 0.15 -0.54 1.25 3.64 -1.23 0.93 116.57 120.62 1xjj h LYS 256 Ca 0.03 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1xjj h LYS 256 Cb 0.19 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.94 1xjj h LYS 256 CO -0.08 0.10 0.31 1.25 -2.27 0.00 0.00 179.45 178.75 1xjj h LEU 257 N 0.15 0.48 -0.25 5.20 6.46 -1.22 -0.80 115.31 125.34 1xjj h LEU 257 Ca 0.27 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 1xjj h LEU 257 Cb 0.41 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 1xjj h LEU 257 CO -0.42 0.33 0.15 0.22 -0.62 0.00 0.00 178.44 178.11 1xjj h TYR 258 N 0.60 0.29 0.00 1.25 5.03 -0.63 0.16 116.97 123.67 1xjj h TYR 258 Ca 0.23 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.51 1xjj h TYR 258 Cb 0.07 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.25 1xjj h TYR 258 CO -0.08 0.18 -0.16 0.93 -1.32 0.00 0.00 178.16 177.72 1xjj h GLU 259 N 0.32 0.00 -0.01 1.82 5.08 -0.38 -1.23 114.58 120.17 1xjj h GLU 259 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 1xjj h GLU 259 Cb -0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1xjj h GLU 259 CO -0.03 0.16 -0.01 0.39 -1.00 0.00 0.00 179.01 178.51 1xjj n GLU 260 N -4.32 1.32 -3.96 2.33 1.02 -0.35 -4.92 120.64 111.76 1xjj n GLU 260 Ca -0.02 -0.54 -0.28 0.00 -0.02 0.00 0.00 57.16 56.29 1xjj n GLU 260 Cb 0.23 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.16 1xjj n GLU 260 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xjj n ASP 261 N -0.37 -2.30 -4.14 1.62 4.64 -0.47 -4.96 116.55 110.56 1xjj n ASP 261 Ca 0.20 -0.92 -0.29 0.00 -1.38 0.00 0.00 54.79 52.41 1xjj n ASP 261 Cb 0.26 -3.37 0.18 0.00 -1.04 0.00 0.00 41.12 37.15 1xjj n ASP 261 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1xjj s GLY 262 N -3.85 1.80 0.03 0.27 0.00 0.52 -4.89 107.32 101.21 1xjj s GLY 262 Ca 0.35 -1.37 0.05 0.00 0.00 0.00 0.00 44.72 43.75 1xjj s GLY 262 CO 0.87 -0.60 -0.09 -0.54 0.00 0.00 0.00 173.10 172.74 1xjj s GLU 263 N -5.80 2.39 -0.10 2.90 2.02 -1.26 -1.55 118.70 117.30 1xjj s GLU 263 Ca 0.74 -0.83 -0.03 0.00 0.02 0.00 0.00 54.97 54.87 1xjj s GLU 263 Cb -0.03 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 1xjj s GLU 263 CO 0.52 0.57 0.04 -1.17 0.02 0.00 0.00 175.26 175.24 1xjj s LEU 264 N -1.60 3.79 -0.26 1.80 2.96 0.12 -4.85 118.68 120.64 1xjj s LEU 264 Ca 0.18 0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 54.14 1xjj s LEU 264 Cb -0.11 -1.89 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1xjj s LEU 264 CO 0.09 0.37 0.45 -0.70 -1.32 0.00 0.00 176.35 175.24 1xjj s GLU 265 N -0.83 4.06 -0.16 1.98 2.56 -1.26 -0.93 118.70 124.12 1xjj s GLU 265 Ca 0.13 0.20 -0.22 0.00 0.00 0.00 0.00 54.97 55.08 1xjj s GLU 265 Cb -0.12 -3.64 -0.03 0.00 2.00 0.00 0.00 34.13 32.35 1xjj s GLU 265 CO 0.03 -0.29 0.69 -0.51 -0.56 0.00 0.00 175.26 174.61 1xjj s LEU 266 N 2.11 4.20 0.18 2.70 1.43 0.25 -4.86 118.68 124.69 1xjj s LEU 266 Ca 0.19 0.99 -0.18 0.00 -1.03 0.00 0.00 54.13 54.10 1xjj s LEU 266 Cb -0.16 -3.01 0.04 0.00 0.03 0.00 0.00 46.19 43.09 1xjj s LEU 266 CO 0.09 -0.26 0.53 -0.94 0.23 0.00 0.00 176.35 176.00 1xjj s SER 267 N 1.07 -0.31 0.02 2.29 1.04 -0.54 -0.73 113.70 116.55 1xjj s SER 267 Ca 0.33 -0.38 0.01 0.00 0.48 0.00 0.00 55.95 56.39 1xjj s SER 267 Cb -0.16 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 1xjj s SER 267 CO 0.12 -1.02 -0.04 -2.28 0.98 0.00 0.00 173.24 171.00 1xjj s HIS 268 N -3.84 0.39 -0.17 5.02 2.46 -1.26 -4.35 115.29 113.53 1xjj s HIS 268 Ca 0.07 -0.30 0.27 0.00 0.47 0.00 0.00 55.06 55.57 1xjj s HIS 268 Cb -0.01 -0.25 1.27 0.00 -0.13 0.00 0.00 32.58 33.47 1xjj s HIS 268 CO -0.05 -0.07 1.81 -1.00 -2.47 0.00 0.00 174.74 172.95 1xjj h PRO 269 N 5.26 0.00 -0.42 2.88 0.13 -1.97 -2.99 132.00 134.88 1xjj h PRO 269 Ca -0.30 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.52 1xjj h PRO 269 Cb 1.20 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.10 1xjj h PRO 269 CO 0.45 0.00 -0.64 0.54 -0.23 0.00 0.00 178.00 178.12 1xjj n ARG 270 N -2.46 2.70 -3.89 0.86 1.74 -1.26 -4.99 116.66 109.36 1xjj n ARG 270 Ca 0.00 -3.77 -0.09 0.00 -0.77 0.00 0.00 57.85 53.23 1xjj n ARG 270 Cb 0.16 -1.99 -0.08 0.00 -1.02 0.00 0.00 32.46 29.53 1xjj n ARG 270 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1xjj s SER 271 N -3.40 0.16 0.00 0.55 0.15 -1.13 -4.74 113.70 105.29 1xjj s SER 271 Ca 0.46 -0.70 0.22 0.00 0.70 0.00 0.00 55.95 56.63 1xjj s SER 271 Cb 0.39 0.32 0.05 0.00 -1.71 0.00 0.00 66.02 65.08 1xjj s SER 271 CO -0.01 -0.72 1.12 0.35 1.20 0.00 0.00 173.24 175.18 1xjj n THR 272 N -0.04 0.00 -2.20 6.45 -2.24 -1.26 -4.53 114.28 110.46 1xjj n THR 272 Ca -0.15 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 1xjj n THR 272 Cb 0.62 1.33 -0.02 0.00 -2.10 0.00 0.00 70.33 70.15 1xjj n THR 272 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1xjj s ILE 273 N -2.25 3.88 0.13 2.28 1.01 -1.26 -5.01 121.20 119.98 1xjj s ILE 273 Ca 0.21 1.05 0.08 0.00 0.00 0.00 0.00 60.65 61.99 1xjj s ILE 273 Cb 0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1xjj s ILE 273 CO 0.47 -0.16 -0.18 -0.13 0.00 0.00 0.00 174.94 174.93 1xjj s ARG 274 N 3.98 1.17 -0.06 2.79 0.52 -1.26 -4.21 118.95 121.88 1xjj s ARG 274 Ca 0.65 -1.28 -0.22 0.00 -0.52 0.00 0.00 55.73 54.36 1xjj s ARG 274 Cb -0.27 -1.28 0.05 0.00 0.52 0.00 0.00 34.95 33.98 1xjj s ARG 274 CO 0.24 0.27 0.51 0.21 0.02 0.00 0.00 175.30 176.54 1xjj s LYS 275 N -2.43 0.83 -0.17 3.54 2.20 0.10 -4.97 119.74 118.84 1xjj s LYS 275 Ca 0.11 0.15 -0.04 0.00 -0.36 0.00 0.00 55.97 55.83 1xjj s LYS 275 Cb -0.07 0.39 -0.02 0.00 -1.51 0.00 0.00 37.83 36.61 1xjj s LYS 275 CO 0.05 -0.23 -0.03 0.15 -0.36 0.00 0.00 175.35 174.93 1xjj s LYS 276 N -1.02 3.62 0.04 4.03 1.02 -1.26 0.84 119.74 127.01 1xjj s LYS 276 Ca -0.10 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.39 1xjj s LYS 276 Cb -0.03 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 1xjj s LYS 276 CO 0.06 0.15 -0.10 0.14 -0.92 0.00 0.00 175.35 174.68 1xjj s VAL 277 N 0.61 0.79 0.08 3.17 -7.23 -0.11 -4.98 120.40 112.74 1xjj s VAL 277 Ca -0.02 -0.91 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 1xjj s VAL 277 Cb -0.14 -0.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.97 1xjj s VAL 277 CO 0.02 -0.13 1.41 -0.54 -0.31 0.00 0.00 175.10 175.56 1xjj s LYS 278 N -1.16 4.30 0.31 4.82 1.02 -1.26 0.15 119.74 127.91 1xjj s LYS 278 Ca -0.03 2.07 -0.01 0.00 0.02 0.00 0.00 55.97 58.02 1xjj s LYS 278 Cb -0.08 -3.37 0.48 0.00 -0.52 0.00 0.00 37.83 34.35 1xjj s LYS 278 CO 0.01 -0.50 1.97 0.97 -0.92 0.00 0.00 175.35 176.88 1xjj h ILE 279 N 4.49 1.19 -0.31 2.17 6.09 -1.61 -1.49 117.51 128.04 1xjj h ILE 279 Ca -0.41 -0.37 -0.02 0.00 -1.37 0.00 0.00 64.86 62.69 1xjj h ILE 279 Cb 1.20 0.03 -0.02 0.00 0.47 0.00 0.00 36.82 38.50 1xjj h ILE 279 CO 0.88 0.20 0.11 0.03 -3.07 0.00 0.00 178.15 176.29 1xjj h ARG 280 N 1.07 0.43 -0.05 2.19 3.08 -1.90 0.33 114.38 119.54 1xjj h ARG 280 Ca 0.30 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 60.09 1xjj h ARG 280 Cb -0.10 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.87 1xjj h ARG 280 CO -0.07 0.38 -0.84 0.93 -1.07 0.00 0.00 179.97 179.30 1xjj h GLU 281 N 0.43 0.45 -0.48 0.04 5.08 -1.68 -2.14 114.58 116.29 1xjj h GLU 281 Ca 0.11 -0.43 -0.03 0.00 -1.00 0.00 0.00 59.36 58.01 1xjj h GLU 281 Cb 0.12 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1xjj h GLU 281 CO -0.01 1.07 0.18 1.25 -1.00 0.00 0.00 179.01 180.50 1xjj h LEU 282 N 0.29 0.67 -1.14 1.33 5.85 -0.91 -2.43 115.31 118.97 1xjj h LEU 282 Ca -0.06 -0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1xjj h LEU 282 Cb 1.45 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.28 1xjj h LEU 282 CO 0.15 0.67 0.26 -0.26 -0.34 0.00 0.00 178.44 178.92 1xjj h PHE 283 N 0.63 0.87 -0.30 1.25 0.04 -0.92 -2.09 116.94 116.42 1xjj h PHE 283 Ca 0.16 -0.04 -0.17 0.00 2.80 0.00 0.00 57.97 60.72 1xjj h PHE 283 Cb 0.21 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1xjj h PHE 283 CO 0.01 0.65 -0.49 -0.09 -0.60 0.00 0.00 178.31 177.79 1xjj h ARG 284 N 0.86 0.84 -0.20 1.51 2.43 -1.24 0.27 114.38 118.84 1xjj h ARG 284 Ca 0.21 -0.50 0.05 0.00 -0.81 0.00 0.00 59.98 58.93 1xjj h ARG 284 Cb 0.13 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 1xjj h ARG 284 CO -0.02 1.13 -0.10 -0.22 -1.51 0.00 0.00 179.97 179.25 1xjj h LYS 285 N 0.66 -0.07 -0.07 0.20 3.64 -1.35 0.22 116.57 119.80 1xjj h LYS 285 Ca 0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 1xjj h LYS 285 Cb 1.08 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.89 1xjj h LYS 285 CO 0.11 -0.05 -0.05 0.82 -2.27 0.00 0.00 179.45 178.01 1xjj h ILE 286 N -0.08 0.84 -0.48 2.00 2.04 -1.12 -1.92 117.51 118.80 1xjj h ILE 286 Ca 0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 1xjj h ILE 286 Cb 0.24 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1xjj h ILE 286 CO -0.25 0.00 0.26 0.00 0.00 0.00 0.00 178.15 178.15 1xjj h ALA 287 N 1.01 0.61 -0.21 1.87 0.00 -0.75 0.41 119.26 122.20 1xjj h ALA 287 Ca 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1xjj h ALA 287 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xjj h ALA 287 CO -0.11 0.14 0.12 1.15 0.00 0.00 0.00 179.25 180.56 1xjj h THR 288 N 0.63 1.03 -0.76 0.00 2.02 -0.51 0.39 112.91 115.70 1xjj h THR 288 Ca 0.17 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1xjj h THR 288 Cb 0.06 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1xjj h THR 288 CO -0.03 0.05 0.48 0.78 0.37 0.00 0.00 175.52 177.17 1xjj h ASN 289 N 0.26 0.90 0.24 4.18 2.35 -1.01 -1.11 115.58 121.39 1xjj h ASN 289 Ca 0.08 -0.05 -0.14 0.00 -0.55 0.00 0.00 56.30 55.65 1xjj h ASN 289 Cb -0.01 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1xjj h ASN 289 CO -0.04 0.68 -0.53 0.00 -1.65 0.00 0.00 177.43 175.89 1xjj h ALA 290 N 1.26 0.89 -0.45 -0.83 0.00 -0.60 -0.87 119.26 118.65 1xjj h ALA 290 Ca 0.28 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1xjj h ALA 290 Cb -0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1xjj h ALA 290 CO -0.06 0.68 0.05 2.35 0.00 0.00 0.00 179.25 182.27 1xjj h TRP 291 N 0.25 0.75 -0.04 0.00 7.01 0.12 0.40 115.95 124.43 1xjj h TRP 291 Ca 0.01 -0.08 -0.23 0.00 2.11 0.00 0.00 58.89 60.69 1xjj h TRP 291 Cb 1.01 -0.21 0.01 0.00 -2.10 0.00 0.00 29.16 27.87 1xjj h TRP 291 CO 0.02 0.67 -0.92 0.87 -2.79 0.00 0.00 178.44 176.30 1xjj h LYS 292 N 0.68 0.58 0.00 2.65 1.57 -0.74 -3.44 116.57 117.88 1xjj h LYS 292 Ca 0.14 -0.57 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1xjj h LYS 292 Cb 0.35 0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1xjj h LYS 292 CO 0.01 1.19 0.00 -1.13 -0.57 0.00 0.00 179.45 178.95 1xjj n SER 293 N -3.83 0.00 0.00 0.86 3.41 -0.38 -4.41 113.62 109.27 1xjj n SER 293 Ca -0.08 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1xjj n SER 293 Cb 0.82 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 1xjj n SER 293 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjj n GLY 294 N 0.00 1.53 3.22 5.00 0.00 0.12 -4.91 105.19 110.16 1xjj n GLY 294 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xjj n GLY 294 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xjj s ASP 295 N -3.18 2.08 0.49 1.61 1.11 -1.26 -4.48 116.67 113.04 1xjj s ASP 295 Ca 0.00 -0.64 -0.02 0.00 0.18 0.00 0.00 52.55 52.07 1xjj s ASP 295 Cb 0.00 -0.09 -0.01 0.00 1.07 0.00 0.00 42.92 43.89 1xjj s ASP 295 CO 0.00 -0.01 0.74 -2.16 1.18 0.00 0.00 175.17 174.92 1xjj s PRO 296 N -1.78 3.12 0.57 8.23 0.04 -1.26 -2.49 135.00 141.42 1xjj s PRO 296 Ca 0.02 -0.26 -0.04 0.00 0.04 0.00 0.00 61.00 60.77 1xjj s PRO 296 Cb -0.10 -2.46 0.12 0.00 0.04 0.00 0.00 34.50 32.10 1xjj s PRO 296 CO 0.03 -0.35 0.78 0.41 0.04 0.00 0.00 177.00 177.91 1xjj n GLY 297 N -2.22 0.07 3.31 0.56 0.00 -0.68 -4.67 105.19 101.55 1xjj n GLY 297 Ca 0.02 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.80 1xjj n GLY 297 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xjj s LEU 298 N 0.00 2.29 -0.26 0.99 1.43 -0.48 -0.28 118.68 122.38 1xjj s LEU 298 Ca 0.49 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1xjj s LEU 298 Cb -0.02 -1.45 0.04 0.00 0.03 0.00 0.00 46.19 44.79 1xjj s LEU 298 CO 0.33 0.23 -0.09 0.00 0.23 0.00 0.00 176.35 177.05 1xjj s ALA 299 N -0.05 2.62 -1.25 4.21 0.00 0.07 -1.20 121.76 126.17 1xjj s ALA 299 Ca -0.06 -1.63 -0.14 0.00 0.00 0.00 0.00 51.96 50.13 1xjj s ALA 299 Cb -0.15 -1.64 0.14 0.00 0.00 0.00 0.00 23.12 21.48 1xjj s ALA 299 CO 0.05 -1.02 1.60 1.19 0.00 0.00 0.00 175.76 177.58 1xjj n PHE 300 N 4.55 4.55 -0.25 0.00 3.72 -0.07 -0.95 117.46 129.01 1xjj n PHE 300 Ca -0.15 -3.15 -0.07 0.00 -0.05 0.00 0.00 57.45 54.03 1xjj n PHE 300 Cb 0.44 -2.27 0.05 0.00 -0.94 0.00 0.00 39.48 36.76 1xjj n PHE 300 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1xjj h LEU 301 N 10.06 1.00 -0.36 4.37 3.38 -1.67 -1.58 115.31 130.51 1xjj h LEU 301 Ca 0.37 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1xjj h LEU 301 Cb 0.82 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xjj h LEU 301 CO 1.38 0.92 0.19 1.23 0.09 0.00 0.00 178.44 182.25 1xjj h GLY 302 N 1.02 0.49 0.70 0.83 0.00 -1.42 0.65 103.07 105.35 1xjj h GLY 302 Ca 0.23 -0.14 0.09 0.00 0.00 0.00 0.00 47.33 47.51 1xjj h GLY 302 CO -0.01 0.11 0.59 -2.09 0.00 0.00 0.00 176.54 175.15 1xjj h GLU 303 N 0.40 0.92 -0.42 4.80 4.57 -1.61 0.94 114.58 124.17 1xjj h GLU 303 Ca 0.15 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.13 1xjj h GLU 303 Cb 0.04 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 1xjj h GLU 303 CO -0.09 0.61 -0.31 0.52 -1.18 0.00 0.00 179.01 178.56 1xjj h MET 304 N 0.95 0.96 -0.27 1.92 2.86 -0.33 -3.13 114.93 117.90 1xjj h MET 304 Ca 0.43 -0.46 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 1xjj h MET 304 Cb 0.37 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xjj h MET 304 CO -0.19 1.13 -0.30 -0.91 1.06 0.00 0.00 176.91 177.70 1xjj h ASN 305 N 0.80 0.56 -0.96 1.22 2.35 -0.20 -1.76 115.58 117.58 1xjj h ASN 305 Ca 0.08 -0.21 0.25 0.00 -0.55 0.00 0.00 56.30 55.87 1xjj h ASN 305 Cb 0.90 -0.15 -0.18 0.00 0.05 0.00 0.00 38.32 38.94 1xjj h ASN 305 CO 0.08 0.83 -0.02 0.50 -1.65 0.00 0.00 177.43 177.17 1xjj h LYS 306 N 0.47 0.02 -0.54 0.81 3.64 -0.78 -2.36 116.57 117.83 1xjj h LYS 306 Ca 0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1xjj h LYS 306 Cb 0.75 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1xjj h LYS 306 CO 0.06 0.01 0.00 0.66 -2.27 0.00 0.00 179.45 177.91 1xjj n TYR 307 N -5.49 0.71 -2.51 1.91 4.01 -0.98 -4.93 117.16 109.87 1xjj n TYR 307 Ca 0.21 -0.38 -0.43 0.00 -0.16 0.00 0.00 57.90 57.14 1xjj n TYR 307 Cb 0.68 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.68 1xjj n TYR 307 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1xjj s TYR 308 N -1.21 2.98 -0.72 -0.72 5.04 -0.70 -4.66 117.35 117.37 1xjj s TYR 308 Ca 0.42 1.12 0.14 0.00 -2.44 0.00 0.00 57.07 56.31 1xjj s TYR 308 Cb 0.23 -3.55 0.63 0.00 0.35 0.00 0.00 41.96 39.62 1xjj s TYR 308 CO 0.31 -1.26 1.42 -2.30 -1.34 0.00 0.00 175.55 172.37 1xjj n PRO 309 N 6.71 0.07 0.00 4.97 -0.02 -1.26 -1.83 135.00 143.64 1xjj n PRO 309 Ca 0.13 0.45 0.10 0.00 -2.02 0.00 0.00 63.50 62.15 1xjj n PRO 309 Cb 0.46 -1.68 0.02 0.00 -0.02 0.00 0.00 33.50 32.28 1xjj n PRO 309 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1xjj n LEU 310 N -1.82 2.06 -4.77 2.45 4.77 -1.26 -0.04 117.00 118.39 1xjj n LEU 310 Ca 0.01 -0.83 -0.39 0.00 -0.03 0.00 0.00 56.01 54.77 1xjj n LEU 310 Cb 0.10 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 1xjj n LEU 310 CO 0.10 0.38 0.67 -0.47 -1.33 0.00 0.00 177.39 176.74 1xjj s TYR 311 N -2.02 3.77 -2.09 -1.77 5.04 -0.76 -1.24 117.35 118.28 1xjj s TYR 311 Ca 0.18 1.82 0.15 0.00 -2.44 0.00 0.00 57.07 56.78 1xjj s TYR 311 Cb 0.16 -3.00 0.46 0.00 0.35 0.00 0.00 41.96 39.93 1xjj s TYR 311 CO 0.41 0.17 1.37 -0.35 -1.34 0.00 0.00 175.55 175.81 1xjj n PRO 312 N 0.98 1.91 -0.28 4.97 -0.04 -1.26 -4.89 135.00 136.39 1xjj n PRO 312 Ca 0.00 -1.40 0.05 0.00 -0.04 0.00 0.00 63.50 62.10 1xjj n PRO 312 Cb 0.48 -1.35 0.26 0.00 -0.04 0.00 0.00 33.50 32.86 1xjj n PRO 312 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjj h HIS 313 N 2.43 0.99 -3.43 0.54 3.86 -1.55 -3.41 115.15 114.57 1xjj h HIS 313 Ca 0.00 0.03 -0.32 0.00 -1.16 0.00 0.00 60.37 58.92 1xjj h HIS 313 Cb 0.55 -0.33 -0.15 0.00 1.06 0.00 0.00 27.41 28.55 1xjj h HIS 313 CO 0.23 0.51 -0.71 1.03 0.86 0.00 0.00 177.93 179.85 1xjj s ARG 314 N -5.86 1.04 -0.08 2.45 0.52 -0.82 -5.16 118.95 111.05 1xjj s ARG 314 Ca -0.11 -1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 53.62 1xjj s ARG 314 Cb 0.20 -0.58 0.04 0.00 0.52 0.00 0.00 34.95 35.13 1xjj s ARG 314 CO 0.79 0.06 0.18 0.21 0.02 0.00 0.00 175.30 176.57 1xjj s LYS 315 N -3.76 0.14 -0.17 3.54 2.20 -1.26 -3.66 119.74 116.76 1xjj s LYS 315 Ca 0.16 0.41 -0.25 0.00 -0.36 0.00 0.00 55.97 55.93 1xjj s LYS 315 Cb 0.03 -0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.20 1xjj s LYS 315 CO 0.00 -0.15 0.84 0.42 -0.36 0.00 0.00 175.35 176.10 1xjj s ILE 316 N 1.12 4.87 -0.06 5.43 1.01 -1.26 -4.28 121.20 128.02 1xjj s ILE 316 Ca -0.08 1.65 0.02 0.00 0.00 0.00 0.00 60.65 62.24 1xjj s ILE 316 Cb -0.10 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 1xjj s ILE 316 CO -0.06 0.02 0.08 0.59 0.00 0.00 0.00 174.94 175.56 1xjj n ASN 317 N 5.28 1.85 -3.89 3.58 3.02 -1.24 -4.86 115.26 119.00 1xjj n ASN 317 Ca 0.05 -0.33 -0.09 0.00 -0.03 0.00 0.00 54.58 54.18 1xjj n ASN 317 Cb 0.49 1.04 -0.04 0.00 -0.61 0.00 0.00 39.78 40.65 1xjj n ASN 317 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1xjj s SER 318 N -1.63 -0.16 0.48 6.41 0.15 -1.25 -4.40 113.70 113.30 1xjj s SER 318 Ca 0.00 -0.73 0.06 0.00 0.70 0.00 0.00 55.95 55.98 1xjj s SER 318 Cb 0.02 0.59 -0.01 0.00 -1.71 0.00 0.00 66.02 64.91 1xjj s SER 318 CO 0.09 -1.12 0.25 0.42 1.20 0.00 0.00 173.24 174.09 1xjj s THR 319 N -3.95 1.87 1.07 6.45 -4.23 -1.26 -1.89 115.64 113.70 1xjj s THR 319 Ca 0.16 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1xjj s THR 319 Cb -0.01 -2.51 0.22 0.00 1.34 0.00 0.00 72.50 71.54 1xjj s THR 319 CO 0.04 0.00 1.11 0.54 -0.54 0.00 0.00 174.62 175.77 1xjj s ASN 320 N -4.07 2.03 0.30 3.99 4.22 -1.01 -3.92 114.94 116.48 1xjj s ASN 320 Ca 0.33 0.91 0.04 0.00 -2.14 0.00 0.00 52.86 52.00 1xjj s ASN 320 Cb 0.01 -1.39 0.65 0.00 1.28 0.00 0.00 41.25 41.80 1xjj s ASN 320 CO 0.19 -3.47 1.83 -0.65 -2.04 0.00 0.00 177.10 172.96 1xjj h PRO 321 N -2.13 0.86 -0.01 3.55 0.11 -1.80 -2.44 132.00 130.13 1xjj h PRO 321 Ca -0.51 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1xjj h PRO 321 Cb 1.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xjj h PRO 321 CO 0.49 0.57 -0.04 0.00 -0.21 0.00 0.00 178.00 178.81 1xjj n GLY 323 N 1.18 1.79 0.10 0.00 0.00 -0.92 -4.65 105.19 102.69 1xjj n GLY 323 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1xjj n GLY 323 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1xjj h GLU 324 N 2.85 0.00 -5.01 1.61 9.09 -1.84 -3.42 114.58 117.87 1xjj h GLU 324 Ca 0.00 0.00 -0.66 0.00 0.05 0.00 0.00 59.36 58.75 1xjj h GLU 324 Cb 0.00 0.00 -0.26 0.00 -1.65 0.00 0.00 28.75 26.84 1xjj h GLU 324 CO 0.00 0.00 -0.70 0.42 0.05 0.00 0.00 179.01 178.78 1xjj s ILE 325 N -3.27 3.57 -0.26 -1.06 -1.09 -1.26 -0.53 121.20 117.30 1xjj s ILE 325 Ca 0.03 -0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 57.73 1xjj s ILE 325 Cb 0.11 -2.63 0.01 0.00 -1.58 0.00 0.00 42.46 38.37 1xjj s ILE 325 CO 0.75 0.41 1.05 -0.83 -1.23 0.00 0.00 174.94 175.10 1xjj s GLY 326 N 1.44 1.65 0.10 6.18 0.00 -1.26 -2.41 107.32 113.01 1xjj s GLY 326 Ca 0.05 0.10 0.10 0.00 0.00 0.00 0.00 44.72 44.97 1xjj s GLY 326 CO -0.01 2.22 -0.25 1.08 0.00 0.00 0.00 173.10 176.13 1xjj s LEU 327 N 3.36 2.28 0.91 0.66 1.43 -0.79 -5.00 118.68 121.52 1xjj s LEU 327 Ca 0.45 -0.69 -0.14 0.00 -1.03 0.00 0.00 54.13 52.72 1xjj s LEU 327 Cb -0.14 -1.15 0.17 0.00 0.03 0.00 0.00 46.19 45.10 1xjj s LEU 327 CO 0.09 0.17 1.26 -0.94 0.23 0.00 0.00 176.35 177.16 1xjj s SER 328 N -1.81 3.45 0.14 2.29 1.04 -1.26 -3.63 113.70 113.92 1xjj s SER 328 Ca 0.12 0.25 -0.32 0.00 0.48 0.00 0.00 55.95 56.48 1xjj s SER 328 Cb -0.10 -0.40 -0.11 0.00 0.10 0.00 0.00 66.02 65.51 1xjj s SER 328 CO 0.05 -2.51 1.78 0.47 0.98 0.00 0.00 173.24 174.00 1xjj n ASP 329 N -3.59 3.90 0.00 7.02 10.43 -1.26 -1.67 116.55 131.38 1xjj n ASP 329 Ca 0.14 1.02 0.00 0.00 2.57 0.00 0.00 54.79 58.52 1xjj n ASP 329 Cb 0.60 -1.53 0.00 0.00 1.84 0.00 0.00 41.12 42.03 1xjj n ASP 329 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1xjj n TYR 330 N 5.00 0.00 -2.80 1.24 4.01 -0.07 -4.97 117.16 119.58 1xjj n TYR 330 Ca 0.18 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.58 1xjj n TYR 330 Cb 0.35 -0.54 -0.07 0.00 -0.31 0.00 0.00 39.34 38.77 1xjj n TYR 330 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1xjj s GLU 331 N -0.43 4.22 0.23 -0.72 2.12 -0.67 -4.18 118.70 119.27 1xjj s GLU 331 Ca 0.00 1.15 0.05 0.00 0.36 0.00 0.00 54.97 56.53 1xjj s GLU 331 Cb 0.00 -2.21 -0.05 0.00 0.26 0.00 0.00 34.13 32.13 1xjj s GLU 331 CO 0.00 -0.04 -0.04 0.00 -0.54 0.00 0.00 175.26 174.64 1xjj s ALA 332 N -2.13 1.93 -0.01 6.30 0.00 -1.26 -2.42 121.76 124.17 1xjj s ALA 332 Ca 0.62 -1.77 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1xjj s ALA 332 Cb -0.10 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1xjj s ALA 332 CO 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 175.76 175.73 1xjj s ASN 334 N 0.27 6.40 0.21 0.00 4.22 -1.26 -2.99 114.94 121.79 1xjj s ASN 334 Ca -0.02 0.47 0.08 0.00 -2.14 0.00 0.00 52.86 51.25 1xjj s ASN 334 Cb -0.04 -2.10 -0.04 0.00 1.28 0.00 0.00 41.25 40.35 1xjj s ASN 334 CO -0.01 0.35 0.02 -0.76 -2.04 0.00 0.00 177.10 174.65 1xjj s LEU 335 N -0.71 3.31 0.17 3.54 1.43 -1.26 -2.16 118.68 123.01 1xjj s LEU 335 Ca 0.15 -0.47 -0.23 0.00 -1.03 0.00 0.00 54.13 52.54 1xjj s LEU 335 Cb -0.12 -1.91 0.06 0.00 0.03 0.00 0.00 46.19 44.25 1xjj s LEU 335 CO 0.04 0.05 0.66 -0.83 0.23 0.00 0.00 176.35 176.49 1xjj s GLY 336 N -3.29 -0.48 -0.02 -3.19 0.00 -0.69 0.52 107.32 100.18 1xjj s GLY 336 Ca 0.29 0.35 0.03 0.00 0.00 0.00 0.00 44.72 45.39 1xjj s GLY 336 CO 0.20 0.11 -0.10 -0.56 0.00 0.00 0.00 173.10 172.75 1xjj s SER 337 N -2.77 1.22 -0.03 1.64 0.01 -0.04 -0.25 113.70 113.47 1xjj s SER 337 Ca 0.04 -0.19 -0.21 0.00 1.31 0.00 0.00 55.95 56.89 1xjj s SER 337 Cb -0.02 -0.23 -0.05 0.00 0.21 0.00 0.00 66.02 65.93 1xjj s SER 337 CO -0.08 0.10 0.63 -0.63 0.41 0.00 0.00 173.24 173.67 1xjj s ILE 338 N -0.03 4.96 -0.86 1.44 1.01 -0.23 -1.66 121.20 125.83 1xjj s ILE 338 Ca 0.00 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.73 1xjj s ILE 338 Cb -0.06 -3.97 0.06 0.00 0.01 0.00 0.00 42.46 38.50 1xjj s ILE 338 CO 0.00 0.36 1.26 -0.62 0.00 0.00 0.00 174.94 175.94 1xjj s ASP 339 N 0.18 6.36 0.23 3.58 2.15 0.37 -1.42 116.67 128.13 1xjj s ASP 339 Ca 0.33 -1.17 0.25 0.00 0.43 0.00 0.00 52.55 52.39 1xjj s ASP 339 Cb -0.18 -2.51 0.88 0.00 -0.30 0.00 0.00 42.92 40.81 1xjj s ASP 339 CO 0.17 -1.52 1.76 1.33 -0.17 0.00 0.00 175.17 176.73 1xjj n VAL 340 N 6.34 0.68 0.29 1.11 0.24 -0.75 -2.11 118.33 124.13 1xjj n VAL 340 Ca 0.16 -0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.51 1xjj n VAL 340 Cb 0.49 -0.80 0.86 0.00 -1.47 0.00 0.00 33.84 32.92 1xjj n VAL 340 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1xjj h ALA 341 N 2.43 1.54 0.00 2.33 0.00 -1.74 -1.55 119.26 122.27 1xjj h ALA 341 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1xjj h ALA 341 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xjj h ALA 341 CO 0.00 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.90 1xjj n LYS 342 N -3.89 0.17 -0.24 0.00 5.02 -0.90 -3.15 118.16 115.16 1xjj n LYS 342 Ca -0.03 0.30 0.09 0.00 -2.02 0.00 0.00 58.31 56.65 1xjj n LYS 342 Cb 0.11 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 33.59 1xjj n LYS 342 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjj n PHE 343 N -2.07 0.64 -2.33 2.13 3.01 -0.58 -4.93 117.46 113.33 1xjj n PHE 343 Ca 0.04 -0.32 -0.42 0.00 1.01 0.00 0.00 57.45 57.75 1xjj n PHE 343 Cb 0.29 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 1xjj n PHE 343 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1xjj s TYR 344 N -1.36 3.22 -0.28 1.38 5.04 -1.19 -0.39 117.35 123.79 1xjj s TYR 344 Ca 0.35 1.11 -0.03 0.00 -2.44 0.00 0.00 57.07 56.05 1xjj s TYR 344 Cb 0.18 -3.53 0.11 0.00 0.35 0.00 0.00 41.96 39.07 1xjj s TYR 344 CO 0.24 -1.78 0.18 1.21 -1.34 0.00 0.00 175.55 174.06 1xjj s ASN 345 N 1.33 2.78 -1.22 4.32 3.04 0.11 -4.90 114.94 120.40 1xjj s ASN 345 Ca 0.61 -1.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.38 1xjj s ASN 345 Cb -0.31 -0.05 -0.01 0.00 -1.54 0.00 0.00 41.25 39.34 1xjj s ASN 345 CO 0.28 -0.41 0.71 0.59 -3.04 0.00 0.00 177.10 175.23 1xjj n ASN 346 N 5.27 -3.45 0.00 -4.21 5.03 -1.26 -1.26 115.26 115.38 1xjj n ASN 346 Ca -0.05 -0.93 0.00 0.00 0.87 0.00 0.00 54.58 54.47 1xjj n ASN 346 Cb 0.44 -3.68 0.00 0.00 -1.02 0.00 0.00 39.78 35.53 1xjj n ASN 346 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1xjj n GLY 347 N -1.66 2.30 3.42 7.41 0.00 -1.26 -5.03 105.19 110.37 1xjj n GLY 347 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 1xjj n GLY 347 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xjj s PHE 348 N -3.33 1.96 -0.04 1.61 0.40 -0.39 -4.95 117.98 113.25 1xjj s PHE 348 Ca 0.00 -0.65 -0.24 0.00 -0.60 0.00 0.00 56.93 55.44 1xjj s PHE 348 Cb 0.00 -1.07 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 1xjj s PHE 348 CO 0.00 0.33 0.73 0.54 0.70 0.00 0.00 175.22 177.52 1xjj s VAL 349 N -2.96 4.97 -1.07 -0.44 0.11 -1.26 0.08 120.40 119.82 1xjj s VAL 349 Ca 0.29 1.52 -0.22 0.00 -2.93 0.00 0.00 61.98 60.64 1xjj s VAL 349 Cb 0.03 -4.07 0.03 0.00 -1.53 0.00 0.00 36.38 30.83 1xjj s VAL 349 CO 0.12 0.27 1.61 -0.62 -3.33 0.00 0.00 175.10 173.15 1xjj s ASP 350 N 0.62 6.29 0.38 3.54 -1.08 0.48 -4.81 116.67 122.09 1xjj s ASP 350 Ca 0.39 -1.56 0.11 0.00 -0.52 0.00 0.00 52.55 50.97 1xjj s ASP 350 Cb -0.19 -2.57 0.75 0.00 -1.46 0.00 0.00 42.92 39.46 1xjj s ASP 350 CO 0.20 -1.71 1.86 -0.07 0.52 0.00 0.00 175.17 175.97 1xjj h LEU 351 N 13.79 0.08 -0.49 -1.34 3.38 -1.94 -1.77 115.31 127.03 1xjj h LEU 351 Ca 0.24 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1xjj h LEU 351 Cb 0.98 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1xjj h LEU 351 CO 1.39 0.37 0.06 -0.08 0.09 0.00 0.00 178.44 180.27 1xjj h GLU 352 N 0.08 0.82 -0.07 1.13 4.81 -1.87 -0.61 114.58 118.86 1xjj h GLU 352 Ca 0.01 -0.23 -0.19 0.00 -0.13 0.00 0.00 59.36 58.82 1xjj h GLU 352 Cb 0.55 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xjj h GLU 352 CO 0.04 0.83 -0.77 0.00 -0.73 0.00 0.00 179.01 178.38 1xjj h ALA 353 N 0.95 0.54 -0.44 2.92 0.00 -1.35 -3.04 119.26 118.84 1xjj h ALA 353 Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1xjj h ALA 353 Cb 0.42 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1xjj h ALA 353 CO 0.01 0.77 0.15 1.25 0.00 0.00 0.00 179.25 181.43 1xjj h LEU 354 N 0.28 0.64 -0.11 0.00 5.85 -1.23 -1.85 115.31 118.88 1xjj h LEU 354 Ca -0.04 -0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1xjj h LEU 354 Cb 1.36 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 1xjj h LEU 354 CO 0.13 0.66 -0.07 -0.61 -0.34 0.00 0.00 178.44 178.21 1xjj h GLN 355 N 0.58 -0.07 -0.68 1.25 4.15 -1.13 -0.03 115.11 119.16 1xjj h GLN 355 Ca 0.14 0.00 0.10 0.00 0.77 0.00 0.00 58.65 59.67 1xjj h GLN 355 Cb 0.25 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 27.88 1xjj h GLN 355 CO -0.01 -0.05 0.31 0.93 -1.93 0.00 0.00 178.83 178.09 1xjj h GLU 356 N -0.07 0.51 -0.09 1.69 5.08 -1.41 -1.48 114.58 118.82 1xjj h GLU 356 Ca 0.07 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 1xjj h GLU 356 Cb 0.17 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1xjj h GLU 356 CO -0.16 0.34 -0.52 1.25 -1.00 0.00 0.00 179.01 178.92 1xjj h LEU 357 N 0.53 0.26 -0.45 1.33 5.85 -0.75 -1.96 115.31 120.12 1xjj h LEU 357 Ca 0.34 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1xjj h LEU 357 Cb 0.40 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1xjj h LEU 357 CO -0.29 0.73 0.30 0.58 -0.34 0.00 0.00 178.44 179.41 1xjj h VAL 358 N 0.19 1.12 -0.42 1.05 2.07 -0.13 0.41 116.25 120.53 1xjj h VAL 358 Ca 0.00 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1xjj h VAL 358 Cb 0.98 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1xjj h VAL 358 CO 0.08 0.12 0.23 1.56 0.02 0.00 0.00 177.57 179.58 1xjj h GLN 359 N 0.61 0.45 -0.44 1.57 4.20 -0.98 -0.16 115.11 120.36 1xjj h GLN 359 Ca 0.16 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 1xjj h GLN 359 Cb -0.06 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1xjj h GLN 359 CO -0.04 0.30 0.07 0.82 -0.67 0.00 0.00 178.83 179.32 1xjj h ILE 360 N 0.47 1.24 -0.41 2.54 2.04 -1.14 -2.92 117.51 119.34 1xjj h ILE 360 Ca 0.17 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 1xjj h ILE 360 Cb 0.05 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 1xjj h ILE 360 CO -0.10 0.31 -0.15 0.00 0.00 0.00 0.00 178.15 178.21 1xjj h ALA 361 N 0.95 0.98 -0.45 1.87 0.00 -0.50 -0.97 119.26 121.14 1xjj h ALA 361 Ca 0.14 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.58 1xjj h ALA 361 Cb 0.38 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xjj h ALA 361 CO 0.01 0.60 -0.25 0.28 0.00 0.00 0.00 179.25 179.89 1xjj h VAL 362 N 0.67 1.27 -0.65 0.00 2.07 -1.06 -1.31 116.25 117.24 1xjj h VAL 362 Ca 0.11 -1.42 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1xjj h VAL 362 Cb 0.63 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1xjj h VAL 362 CO 0.04 0.48 0.06 -0.09 0.02 0.00 0.00 177.57 178.09 1xjj h ARG 363 N 0.82 1.11 -0.31 1.57 2.43 -1.26 -1.54 114.38 117.20 1xjj h ARG 363 Ca 0.10 -0.32 0.05 0.00 -0.81 0.00 0.00 59.98 59.00 1xjj h ARG 363 Cb 0.83 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 1xjj h ARG 363 CO 0.07 1.04 0.01 0.35 -1.51 0.00 0.00 179.97 179.94 1xjj h PHE 364 N 1.03 0.01 -0.33 2.20 3.04 -0.98 0.05 116.94 121.96 1xjj h PHE 364 Ca 0.19 0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.99 1xjj h PHE 364 Cb 0.50 0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 1xjj h PHE 364 CO 0.04 -0.04 -0.47 -0.07 -2.02 0.00 0.00 178.31 175.75 1xjj h LEU 365 N 0.11 0.99 -0.81 0.59 3.38 -0.98 -0.74 115.31 117.85 1xjj h LEU 365 Ca 0.15 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.53 1xjj h LEU 365 Cb 0.19 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1xjj h LEU 365 CO -0.23 1.29 -0.01 -0.78 0.09 0.00 0.00 178.44 178.80 1xjj h ASP 366 N 0.70 0.86 -0.43 -0.43 3.58 -1.09 -2.81 116.42 116.80 1xjj h ASP 366 Ca 0.04 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.25 1xjj h ASP 366 Cb 1.07 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.87 1xjj h ASP 366 CO 0.11 0.93 0.26 0.78 -2.88 0.00 0.00 179.24 178.44 1xjj h ASN 367 N 0.82 0.53 -0.90 2.28 4.21 -0.21 -2.55 115.58 119.77 1xjj h ASN 367 Ca 0.15 -0.03 0.05 0.00 1.21 0.00 0.00 56.30 57.69 1xjj h ASN 367 Cb 0.50 -0.13 -0.06 0.00 -1.12 0.00 0.00 38.32 37.51 1xjj h ASN 367 CO 0.03 0.42 0.59 0.58 -1.29 0.00 0.00 177.43 177.75 1xjj h VAL 368 N 0.62 1.10 -0.99 2.81 2.07 -0.89 -2.19 116.25 118.77 1xjj h VAL 368 Ca 0.16 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1xjj h VAL 368 Cb -0.01 -0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 29.63 1xjj h VAL 368 CO -0.03 0.19 0.63 0.40 0.02 0.00 0.00 177.57 178.78 1xjj h ILE 369 N 1.06 0.97 0.00 4.57 2.04 -1.47 -1.26 117.51 123.43 1xjj h ILE 369 Ca 0.37 -0.36 -0.06 0.00 1.00 0.00 0.00 64.86 65.82 1xjj h ILE 369 Cb 0.13 -0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1xjj h ILE 369 CO -0.13 0.19 -0.26 0.44 0.00 0.00 0.00 178.15 178.39 1xjj h ASP 370 N 1.04 0.00 -0.46 1.72 3.32 -1.48 -2.97 116.42 117.60 1xjj h ASP 370 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 1xjj h ASP 370 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1xjj h ASP 370 CO -0.24 0.26 0.00 1.33 -1.72 0.00 0.00 179.24 178.88 1xjj n VAL 371 N -3.57 0.93 -3.14 -1.35 0.24 -0.67 -4.97 118.33 105.80 1xjj n VAL 371 Ca -0.01 -0.97 -0.37 0.00 -2.04 0.00 0.00 64.34 60.96 1xjj n VAL 371 Cb 0.40 0.55 -0.06 0.00 -1.47 0.00 0.00 33.84 33.27 1xjj n VAL 371 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1xjj s ASN 372 N -1.02 7.07 -0.16 -1.34 3.84 -0.56 -4.94 114.94 117.82 1xjj s ASN 372 Ca 0.32 1.38 0.02 0.00 0.21 0.00 0.00 52.86 54.79 1xjj s ASN 372 Cb 0.17 -2.41 0.02 0.00 -0.55 0.00 0.00 41.25 38.48 1xjj s ASN 372 CO 0.22 0.09 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.72 1xjj s VAL 373 N -1.43 2.04 0.10 -5.21 1.01 0.50 -5.01 120.40 112.40 1xjj s VAL 373 Ca 0.40 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1xjj s VAL 373 Cb -0.17 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1xjj s VAL 373 CO 0.21 0.54 0.19 -0.36 0.00 0.00 0.00 175.10 175.68 1xjj s PHE 374 N 1.12 3.39 -2.12 5.22 0.40 -1.26 -3.71 117.98 121.02 1xjj s PHE 374 Ca 0.01 0.15 0.31 0.00 -0.60 0.00 0.00 56.93 56.79 1xjj s PHE 374 Cb -0.14 -1.68 1.64 0.00 0.51 0.00 0.00 43.02 43.35 1xjj s PHE 374 CO -0.09 0.55 2.08 -0.35 0.70 0.00 0.00 175.22 178.11 1xjj n PRO 375 N 0.07 1.17 -3.71 0.24 -0.04 -1.26 -4.75 135.00 126.72 1xjj n PRO 375 Ca -0.07 -0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 62.92 1xjj n PRO 375 Cb 0.52 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 1xjj n PRO 375 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xjj s ILE 376 N -2.02 -0.07 0.16 0.52 1.01 -1.26 -5.06 121.20 114.47 1xjj s ILE 376 Ca 0.44 0.35 -0.12 0.00 0.00 0.00 0.00 60.65 61.32 1xjj s ILE 376 Cb 0.22 -0.14 0.16 0.00 0.01 0.00 0.00 42.46 42.71 1xjj s ILE 376 CO 0.36 0.15 1.05 -0.90 0.00 0.00 0.00 174.94 175.61 1xjj n ASP 377 N 4.94 -0.44 0.24 3.58 5.75 -1.26 -1.33 116.55 128.02 1xjj n ASP 377 Ca -0.11 1.19 0.12 0.00 -0.01 0.00 0.00 54.79 55.97 1xjj n ASP 377 Cb 0.50 -0.27 0.52 0.00 -1.03 0.00 0.00 41.12 40.84 1xjj n ASP 377 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1xjj h LYS 378 N 0.00 0.00 0.06 0.11 1.57 -1.97 -2.41 116.57 113.94 1xjj h LYS 378 Ca 0.24 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1xjj h LYS 378 Cb 0.41 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.73 1xjj h LYS 378 CO -0.67 0.16 -0.52 0.82 -0.57 0.00 0.00 179.45 178.66 1xjj h ILE 379 N 0.00 1.55 -0.56 1.86 2.04 -1.37 -2.17 117.51 118.86 1xjj h ILE 379 Ca -0.00 -2.30 0.11 0.00 1.00 0.00 0.00 64.86 63.67 1xjj h ILE 379 Cb 0.68 3.04 -0.10 0.00 -0.74 0.00 0.00 36.82 39.70 1xjj h ILE 379 CO 0.02 0.64 -0.06 0.74 0.00 0.00 0.00 178.15 179.49 1xjj h THR 380 N -0.45 0.50 0.03 -0.27 2.02 -1.26 -1.51 112.91 111.97 1xjj h THR 380 Ca -0.08 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1xjj h THR 380 Cb 1.35 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1xjj h THR 380 CO 0.10 0.01 -0.02 0.50 0.37 0.00 0.00 175.52 176.48 1xjj h LYS 381 N 0.06 -0.05 -0.85 6.66 3.64 -1.46 -1.50 116.57 123.07 1xjj h LYS 381 Ca 0.28 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1xjj h LYS 381 Cb 0.44 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.23 1xjj h LYS 381 CO -0.52 -0.03 0.47 0.00 -2.27 0.00 0.00 179.45 177.09 1xjj h ALA 382 N 0.91 1.09 -0.39 5.00 0.00 -0.86 -2.01 119.26 123.01 1xjj h ALA 382 Ca -0.00 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1xjj h ALA 382 Cb 0.05 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1xjj h ALA 382 CO 0.00 0.60 -0.15 0.28 0.00 0.00 0.00 179.25 179.98 1xjj h VAL 383 N 1.19 1.28 -0.54 0.00 2.07 -1.18 -2.70 116.25 116.36 1xjj h VAL 383 Ca 0.30 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1xjj h VAL 383 Cb 0.03 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1xjj h VAL 383 CO -0.05 0.42 0.28 0.11 0.02 0.00 0.00 177.57 178.35 1xjj h LYS 384 N 0.59 0.75 0.00 1.57 1.57 -1.06 0.12 116.57 120.11 1xjj h LYS 384 Ca 0.09 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1xjj h LYS 384 Cb 0.68 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1xjj h LYS 384 CO 0.05 0.57 -0.39 0.93 -0.57 0.00 0.00 179.45 180.04 1xjj h GLU 385 N 0.76 0.00 0.00 3.15 5.08 -1.19 -3.39 114.58 118.99 1xjj h GLU 385 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1xjj h GLU 385 Cb 0.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1xjj h GLU 385 CO -0.03 0.39 -1.31 0.43 -1.00 0.00 0.00 179.01 177.49 1xjj n SER 386 N -3.50 3.63 -3.81 1.42 7.64 -1.03 -2.53 113.62 115.44 1xjj n SER 386 Ca -0.00 -0.02 -0.28 0.00 1.01 0.00 0.00 58.87 59.58 1xjj n SER 386 Cb 0.53 0.05 0.04 0.00 -1.01 0.00 0.00 64.21 63.82 1xjj n SER 386 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xjj n ARG 387 N -2.57 -6.16 -1.80 1.43 1.74 0.39 -1.76 116.66 107.93 1xjj n ARG 387 Ca -0.09 0.67 -0.41 0.00 -0.77 0.00 0.00 57.85 57.24 1xjj n ARG 387 Cb 0.61 -5.58 -0.01 0.00 -1.02 0.00 0.00 32.46 26.46 1xjj n ARG 387 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1xjj s ARG 388 N -6.47 4.13 0.33 5.56 3.52 -1.26 -4.12 118.95 120.64 1xjj s ARG 388 Ca 0.58 2.55 0.10 0.00 -0.13 0.00 0.00 55.73 58.83 1xjj s ARG 388 Cb -0.28 -3.02 -0.06 0.00 -1.56 0.00 0.00 34.95 30.02 1xjj s ARG 388 CO 0.80 -0.60 -0.10 -0.51 -0.81 0.00 0.00 175.30 174.08 1xjj s LEU 389 N -0.71 2.70 -0.50 -0.88 1.43 -0.09 -4.37 118.68 116.27 1xjj s LEU 389 Ca 0.62 -1.18 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 1xjj s LEU 389 Cb -0.47 -0.98 0.21 0.00 0.03 0.00 0.00 46.19 44.98 1xjj s LEU 389 CO 0.50 -0.19 0.51 0.61 0.23 0.00 0.00 176.35 178.00 1xjj n GLY 390 N -0.76 3.21 3.67 -3.19 0.00 -0.92 -3.38 105.19 103.83 1xjj n GLY 390 Ca -0.05 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1xjj n GLY 390 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xjj s LEU 391 N -1.11 4.23 0.00 0.99 2.96 0.46 -1.70 118.68 124.52 1xjj s LEU 391 Ca 0.34 1.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.04 1xjj s LEU 391 Cb 0.09 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1xjj s LEU 391 CO -0.13 -0.69 0.00 0.61 -1.32 0.00 0.00 176.35 174.82 1xjj n GLY 392 N 3.53 6.25 3.12 7.98 0.00 0.65 -1.53 105.19 125.19 1xjj n GLY 392 Ca 0.13 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.28 1xjj n GLY 392 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xjj s ILE 393 N -0.17 0.63 0.36 -0.61 -4.36 -1.26 -1.07 121.20 114.72 1xjj s ILE 393 Ca 0.00 -1.49 0.04 0.00 -0.26 0.00 0.00 60.65 58.94 1xjj s ILE 393 Cb 0.00 -1.13 -0.03 0.00 1.25 0.00 0.00 42.46 42.55 1xjj s ILE 393 CO 0.00 -0.61 0.14 0.00 0.24 0.00 0.00 174.94 174.72 1xjj s MET 394 N -2.64 1.77 -0.01 0.37 0.23 -0.51 -4.17 119.30 114.34 1xjj s MET 394 Ca 0.00 -2.04 0.00 0.00 -1.03 0.00 0.00 55.69 52.62 1xjj s MET 394 Cb -0.03 -0.39 0.00 0.00 -1.53 0.00 0.00 34.83 32.88 1xjj s MET 394 CO -0.02 -0.45 0.00 0.41 -2.03 0.00 0.00 175.02 172.93 1xjj n GLY 395 N -0.75 0.35 0.27 3.16 0.00 0.59 -1.81 105.19 107.00 1xjj n GLY 395 Ca -0.02 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1xjj n GLY 395 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1xjj h PHE 396 N 0.00 0.96 -0.56 1.61 3.57 -1.80 -1.23 116.94 119.49 1xjj h PHE 396 Ca -0.00 -0.12 0.03 0.00 3.53 0.00 0.00 57.97 61.41 1xjj h PHE 396 Cb 0.31 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.74 1xjj h PHE 396 CO 0.19 0.83 0.34 0.00 -2.23 0.00 0.00 178.31 177.44 1xjj h ALA 397 N 1.01 0.73 -0.24 2.41 0.00 -1.80 -1.56 119.26 119.81 1xjj h ALA 397 Ca 0.17 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1xjj h ALA 397 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1xjj h ALA 397 CO 0.00 0.05 -0.27 -0.44 0.00 0.00 0.00 179.25 178.59 1xjj h ASP 398 N 0.66 0.48 -0.39 0.00 3.32 -1.88 -2.49 116.42 116.12 1xjj h ASP 398 Ca 0.23 -0.17 0.04 0.00 0.02 0.00 0.00 57.03 57.15 1xjj h ASP 398 Cb 0.04 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1xjj h ASP 398 CO -0.11 0.74 0.18 0.25 -1.72 0.00 0.00 179.24 178.59 1xjj h LEU 399 N 0.41 0.25 -1.09 1.55 5.85 -0.83 -1.97 115.31 119.48 1xjj h LEU 399 Ca 0.06 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.84 1xjj h LEU 399 Cb 0.70 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1xjj h LEU 399 CO 0.05 0.18 0.61 -0.07 -0.34 0.00 0.00 178.44 178.88 1xjj h LEU 400 N 0.37 1.01 -0.49 2.25 3.38 -1.08 -0.99 115.31 119.77 1xjj h LEU 400 Ca 0.17 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.19 1xjj h LEU 400 Cb 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 1xjj h LEU 400 CO -0.14 0.69 0.22 1.88 0.09 0.00 0.00 178.44 181.18 1xjj h TYR 401 N 1.17 0.39 -0.54 1.13 -1.99 -1.18 0.18 116.97 116.13 1xjj h TYR 401 Ca 0.38 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 61.04 1xjj h TYR 401 Cb 0.03 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 1xjj h TYR 401 CO -0.00 0.17 -0.00 0.87 -0.00 0.00 0.00 178.16 179.20 1xjj h LYS 402 N 0.43 0.96 -0.00 4.88 1.57 -0.75 -2.27 116.57 121.38 1xjj h LYS 402 Ca 0.22 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xjj h LYS 402 Cb 0.17 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1xjj h LYS 402 CO -0.19 0.97 -0.02 1.28 -0.57 0.00 0.00 179.45 180.93 1xjj n LEU 403 N -4.26 0.19 -3.65 2.94 4.77 -0.43 -4.87 117.00 111.69 1xjj n LEU 403 Ca 0.02 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 55.82 1xjj n LEU 403 Cb 0.33 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.36 1xjj n LEU 403 CO 0.43 0.03 0.01 -0.62 -1.33 0.00 0.00 177.39 175.92 1xjj n GLU 404 N -0.98 -5.57 -4.41 3.23 -0.58 0.08 -5.01 120.64 107.41 1xjj n GLU 404 Ca 0.19 0.68 -0.34 0.00 -0.42 0.00 0.00 57.16 57.28 1xjj n GLU 404 Cb 0.19 -5.42 -0.14 0.00 -0.57 0.00 0.00 31.44 25.51 1xjj n GLU 404 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 1xjj s ILE 405 N -3.54 3.42 0.15 -3.67 1.01 0.39 -4.97 121.20 114.00 1xjj s ILE 405 Ca 0.10 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1xjj s ILE 405 Cb -0.05 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.85 1xjj s ILE 405 CO 0.79 0.49 1.21 -2.84 0.00 0.00 0.00 174.94 174.59 1xjj s PRO 406 N 0.68 4.46 0.24 2.79 0.02 -1.26 -4.42 135.00 137.50 1xjj s PRO 406 Ca -0.04 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.80 1xjj s PRO 406 Cb -0.15 -3.26 0.37 0.00 0.02 0.00 0.00 34.50 31.48 1xjj s PRO 406 CO 0.02 -0.15 1.81 -0.92 -0.33 0.00 0.00 177.00 177.43 1xjj h TYR 407 N 5.70 0.83 -0.99 6.54 5.03 -1.83 -3.21 116.97 129.04 1xjj h TYR 407 Ca -0.44 0.03 -0.74 0.00 2.58 0.00 0.00 58.73 60.16 1xjj h TYR 407 Cb 1.21 -0.25 -0.11 0.00 1.55 0.00 0.00 36.73 39.13 1xjj h TYR 407 CO 0.64 0.35 2.43 0.27 -1.32 0.00 0.00 178.16 180.53 1xjj n ASN 408 N -4.75 5.67 -3.52 -2.11 6.94 -1.26 -4.67 115.26 111.56 1xjj n ASN 408 Ca 0.13 -3.03 -0.14 0.00 -0.02 0.00 0.00 54.58 51.52 1xjj n ASN 408 Cb 0.25 -1.49 -0.04 0.00 -2.36 0.00 0.00 39.78 36.14 1xjj n ASN 408 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1xjj s SER 409 N 1.27 -0.51 0.31 0.53 1.04 -1.21 -5.03 113.70 110.10 1xjj s SER 409 Ca 0.46 0.20 0.05 0.00 0.48 0.00 0.00 55.95 57.14 1xjj s SER 409 Cb 0.13 0.53 0.52 0.00 0.10 0.00 0.00 66.02 67.30 1xjj s SER 409 CO -0.03 -0.78 1.78 -0.61 0.98 0.00 0.00 173.24 174.57 1xjj h GLN 410 N 2.57 0.40 -0.45 4.02 5.75 -1.89 -2.88 115.11 122.62 1xjj h GLN 410 Ca -0.31 -0.13 0.09 0.00 -0.15 0.00 0.00 58.65 58.14 1xjj h GLN 410 Cb 1.23 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 29.66 1xjj h GLN 410 CO 0.40 0.60 -0.11 1.49 -2.65 0.00 0.00 178.83 178.56 1xjj h GLU 411 N 0.36 -0.00 -0.49 1.69 4.81 -1.96 0.16 114.58 119.15 1xjj h GLU 411 Ca 0.06 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1xjj h GLU 411 Cb 0.59 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1xjj h GLU 411 CO 0.04 -0.00 0.30 0.00 -0.73 0.00 0.00 179.01 178.62 1xjj h ALA 412 N 1.45 0.63 -0.48 2.92 0.00 -1.70 -1.75 119.26 120.33 1xjj h ALA 412 Ca 0.22 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 1xjj h ALA 412 Cb 0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1xjj h ALA 412 CO -0.47 0.01 0.05 0.00 0.00 0.00 0.00 179.25 178.84 1xjj h ARG 413 N 0.61 0.81 -0.72 0.00 3.08 -1.25 0.19 114.38 117.10 1xjj h ARG 413 Ca 0.19 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 1xjj h ARG 413 Cb -0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 29.93 1xjj h ARG 413 CO -0.08 0.83 0.27 -0.44 -1.07 0.00 0.00 179.97 179.48 1xjj h ASP 414 N 0.68 1.01 -0.28 7.04 3.32 -0.66 -1.17 116.42 126.36 1xjj h ASP 414 Ca 0.14 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.98 1xjj h ASP 414 Cb 0.43 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xjj h ASP 414 CO 0.01 0.92 0.07 0.15 -1.72 0.00 0.00 179.24 178.67 1xjj h PHE 415 N 1.04 0.47 -0.34 4.55 3.57 -1.10 -1.83 116.94 123.30 1xjj h PHE 415 Ca 0.24 -0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.75 1xjj h PHE 415 Cb 0.24 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.79 1xjj h PHE 415 CO 0.02 0.52 -0.05 0.00 -2.23 0.00 0.00 178.31 176.57 1xjj h ALA 416 N 0.89 0.26 -0.37 2.41 0.00 -0.49 0.60 119.26 122.56 1xjj h ALA 416 Ca 0.09 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1xjj h ALA 416 Cb 0.29 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1xjj h ALA 416 CO 0.00 -0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.01 1xjj h ALA 417 N 1.32 0.46 -0.66 0.00 0.00 -1.17 0.15 119.26 119.36 1xjj h ALA 417 Ca 0.16 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xjj h ALA 417 Cb 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1xjj h ALA 417 CO -0.32 -0.16 0.15 -0.91 0.00 0.00 0.00 179.25 178.01 1xjj h ASN 418 N 0.40 1.01 -0.05 0.00 2.35 -1.02 0.13 115.58 118.39 1xjj h ASN 418 Ca 0.15 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1xjj h ASN 418 Cb 0.04 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 1xjj h ASN 418 CO -0.10 0.99 -0.00 0.25 -1.65 0.00 0.00 177.43 176.92 1xjj h LEU 419 N 0.98 0.09 -1.25 1.61 5.85 -0.70 -1.54 115.31 120.36 1xjj h LEU 419 Ca 0.21 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1xjj h LEU 419 Cb 0.38 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1xjj h LEU 419 CO 0.00 0.38 0.47 -0.03 -0.34 0.00 0.00 178.44 178.93 1xjj h MET 420 N -0.21 0.97 -0.50 1.25 4.05 -0.71 -1.47 114.93 118.32 1xjj h MET 420 Ca 0.01 -0.07 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1xjj h MET 420 Cb 0.34 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.90 1xjj h MET 420 CO 0.00 0.66 0.19 0.00 0.23 0.00 0.00 176.91 178.00 1xjj h ALA 421 N 1.52 0.65 -0.20 0.39 0.00 -0.60 0.16 119.26 121.18 1xjj h ALA 421 Ca 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xjj h ALA 421 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1xjj h ALA 421 CO -0.05 0.27 0.10 0.35 0.00 0.00 0.00 179.25 179.91 1xjj h PHE 422 N 0.67 0.29 -0.59 0.00 3.57 -1.02 -0.22 116.94 119.64 1xjj h PHE 422 Ca 0.17 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1xjj h PHE 422 Cb 0.21 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 1xjj h PHE 422 CO 0.01 0.28 0.39 0.82 -2.23 0.00 0.00 178.31 177.58 1xjj h ILE 423 N 0.21 1.15 -0.34 1.41 2.04 -0.91 -2.49 117.51 118.58 1xjj h ILE 423 Ca 0.07 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1xjj h ILE 423 Cb 0.10 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 1xjj h ILE 423 CO -0.01 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.51 1xjj h ALA 424 N 1.21 0.43 -0.12 1.87 0.00 -0.45 0.13 119.26 122.33 1xjj h ALA 424 Ca 0.21 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1xjj h ALA 424 Cb -0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1xjj h ALA 424 CO -0.05 -0.10 -0.08 1.25 0.00 0.00 0.00 179.25 180.28 1xjj h LEU 425 N 0.46 -0.26 -0.14 0.00 5.85 -0.89 -0.68 115.31 119.64 1xjj h LEU 425 Ca 0.12 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1xjj h LEU 425 Cb -0.04 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1xjj h LEU 425 CO -0.03 -0.11 -0.79 0.45 -0.34 0.00 0.00 178.44 177.63 1xjj h HIS 426 N -0.08 0.00 -0.30 1.25 3.86 -1.26 -1.66 115.15 116.95 1xjj h HIS 426 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1xjj h HIS 426 Cb 0.20 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1xjj h HIS 426 CO -0.21 0.79 0.19 0.00 0.86 0.00 0.00 177.93 179.56 1xjj h ALA 427 N 1.21 0.39 0.00 2.45 0.00 -0.67 -1.77 119.26 120.88 1xjj h ALA 427 Ca -0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1xjj h ALA 427 Cb 1.54 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1xjj h ALA 427 CO 0.10 -0.13 -0.50 0.45 0.00 0.00 0.00 179.25 179.17 1xjj h HIS 428 N 0.40 0.00 -0.42 0.00 -0.00 -1.02 -2.30 115.15 111.81 1xjj h HIS 428 Ca 0.11 0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1xjj h HIS 428 Cb -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 1xjj h HIS 428 CO -0.05 0.50 -0.01 -0.09 -0.00 0.00 0.00 177.93 178.27 1xjj h ARG 429 N 0.00 0.75 -0.63 2.45 2.43 -1.26 -1.47 114.38 116.65 1xjj h ARG 429 Ca -0.00 -0.25 -0.03 0.00 -0.81 0.00 0.00 59.98 58.89 1xjj h ARG 429 Cb 1.19 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 1xjj h ARG 429 CO 0.06 0.84 0.27 1.15 -1.51 0.00 0.00 179.97 180.79 1xjj h THR 430 N 0.59 1.22 -0.49 0.20 2.02 -1.16 -1.74 112.91 113.55 1xjj h THR 430 Ca 0.12 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 1xjj h THR 430 Cb 0.51 0.44 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1xjj h THR 430 CO 0.02 0.26 0.21 -1.28 0.37 0.00 0.00 175.52 175.10 1xjj h SER 431 N 0.90 0.66 -0.30 4.18 0.87 -1.20 0.11 113.55 118.78 1xjj h SER 431 Ca 0.22 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1xjj h SER 431 Cb 0.14 -0.17 -0.08 0.00 -0.44 0.00 0.00 62.40 61.85 1xjj h SER 431 CO -0.02 0.64 -0.45 0.22 -0.53 0.00 0.00 176.83 176.69 1xjj h TYR 432 N 0.65 -1.31 -0.94 2.24 3.20 -1.03 -0.39 116.97 119.38 1xjj h TYR 432 Ca 0.16 0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.09 1xjj h TYR 432 Cb 0.17 0.61 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1xjj h TYR 432 CO 0.00 -0.47 0.56 0.93 -1.64 0.00 0.00 178.16 177.55 1xjj h GLU 433 N -0.41 1.29 -0.24 1.82 5.08 -0.78 -2.04 114.58 119.29 1xjj h GLU 433 Ca 0.10 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1xjj h GLU 433 Cb 0.61 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1xjj h GLU 433 CO -0.51 0.90 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.01 1xjj h LEU 434 N 1.30 0.52 -0.81 1.33 4.07 -0.70 -1.61 115.31 119.41 1xjj h LEU 434 Ca 0.34 -0.20 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 1xjj h LEU 434 Cb -0.04 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 41.52 1xjj h LEU 434 CO -0.06 0.81 0.32 1.23 -1.08 0.00 0.00 178.44 179.67 1xjj h GLY 435 N 1.05 1.29 1.09 0.83 0.00 -0.43 0.27 103.07 107.17 1xjj h GLY 435 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 47.33 46.56 1xjj h GLY 435 CO 0.06 0.66 -0.20 0.07 0.00 0.00 0.00 176.54 177.13 1xjj h LYS 436 N 1.17 0.96 -0.24 4.80 5.09 -1.33 -1.57 116.57 125.44 1xjj h LYS 436 Ca 0.27 -0.41 -0.17 0.00 0.09 0.00 0.00 60.65 60.43 1xjj h LYS 436 Cb 0.21 -0.03 0.00 0.00 0.10 0.00 0.00 32.23 32.51 1xjj h LYS 436 CO -0.02 1.08 -0.51 1.49 -2.09 0.00 0.00 179.45 179.40 1xjj h GLU 437 N 0.81 0.77 -0.00 0.07 4.81 -1.08 -3.39 114.58 116.58 1xjj h GLU 437 Ca 0.11 -0.51 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1xjj h GLU 437 Cb 0.78 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.22 1xjj h GLU 437 CO 0.06 1.13 -0.03 1.63 -0.73 0.00 0.00 179.01 181.08 1xjj n LYS 438 N -4.10 6.00 0.00 1.92 5.02 0.93 -4.29 118.16 123.64 1xjj n LYS 438 Ca -0.05 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 1xjj n LYS 438 Cb 0.60 -0.58 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1xjj n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjj n GLY 439 N 0.92 2.53 3.82 0.72 0.00 -0.59 -4.83 105.19 107.75 1xjj n GLY 439 Ca 0.00 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.08 1xjj n GLY 439 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjj s ASN 440 N 0.00 5.72 0.25 1.61 0.01 -1.21 -4.44 114.94 116.89 1xjj s ASN 440 Ca 0.00 1.64 -0.30 0.00 -0.71 0.00 0.00 52.86 53.49 1xjj s ASN 440 Cb 0.00 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.05 1xjj s ASN 440 CO 0.00 -1.21 1.51 0.72 -1.51 0.00 0.00 177.10 176.62 1xjj s PHE 441 N -2.86 2.93 0.45 2.20 -0.71 -0.74 -4.90 117.98 114.35 1xjj s PHE 441 Ca 0.59 0.88 0.30 0.00 -1.04 0.00 0.00 56.93 57.66 1xjj s PHE 441 Cb -0.14 -3.93 1.40 0.00 -1.21 0.00 0.00 43.02 39.15 1xjj s PHE 441 CO 0.47 -3.11 1.65 -1.35 -1.34 0.00 0.00 175.22 171.54 1xjj h PRO 442 N 5.19 0.12 -0.61 1.99 0.11 -1.76 -0.68 132.00 136.35 1xjj h PRO 442 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xjj h PRO 442 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xjj h PRO 442 CO 0.80 0.08 0.00 1.28 -0.21 0.00 0.00 178.00 179.95 1xjj n LEU 443 N -4.60 3.54 -0.30 2.35 4.77 -1.05 -4.34 117.00 117.37 1xjj n LEU 443 Ca 0.35 -1.78 0.05 0.00 -0.03 0.00 0.00 56.01 54.60 1xjj n LEU 443 Cb 1.37 -0.46 0.14 0.00 -2.33 0.00 0.00 43.42 42.14 1xjj n LEU 443 CO 0.24 0.73 0.72 0.25 -1.33 0.00 0.00 177.39 178.00 1xjj h LEU 444 N 3.38 -0.70 -1.15 2.23 6.46 -1.41 -2.05 115.31 122.07 1xjj h LEU 444 Ca 0.00 0.25 0.09 0.00 -0.12 0.00 0.00 57.88 58.10 1xjj h LEU 444 Cb 1.00 0.50 -0.07 0.00 -0.73 0.00 0.00 40.66 41.37 1xjj h LEU 444 CO 0.09 -0.28 0.59 -0.33 -0.62 0.00 0.00 178.44 177.90 1xjj h GLU 445 N 0.01 0.94 -0.36 1.25 3.07 -1.83 -1.59 114.58 116.07 1xjj h GLU 445 Ca 0.43 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.23 1xjj h GLU 445 Cb 0.70 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1xjj h GLU 445 CO -0.86 0.62 0.00 0.44 -1.40 0.00 0.00 179.01 177.81 1xjj n ILE 446 N -4.52 0.47 -2.13 3.13 -5.35 -0.81 -4.58 119.36 105.57 1xjj n ILE 446 Ca 0.15 -0.68 -0.27 0.00 -0.27 0.00 0.00 62.75 61.69 1xjj n ILE 446 Cb 0.27 0.82 0.08 0.00 -1.74 0.00 0.00 39.64 39.08 1xjj n ILE 446 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1xjj s SER 447 N -1.47 4.65 0.44 7.28 1.04 -0.60 -4.86 113.70 120.19 1xjj s SER 447 Ca 0.38 0.49 0.29 0.00 0.48 0.00 0.00 55.95 57.59 1xjj s SER 447 Cb 0.22 -1.07 1.09 0.00 0.10 0.00 0.00 66.02 66.36 1xjj s SER 447 CO 0.30 -1.73 1.85 0.03 0.98 0.00 0.00 173.24 174.68 1xjj h ARG 448 N -0.75 0.00 0.00 4.02 3.08 -0.76 0.36 114.38 120.34 1xjj h ARG 448 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1xjj h ARG 448 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1xjj h ARG 448 CO 0.60 0.00 0.00 1.88 -1.07 0.00 0.00 179.97 181.38 1xjj h TYR 449 N 0.00 0.00 0.00 3.04 0.05 -1.85 -2.96 116.97 115.25 1xjj h TYR 449 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1xjj h TYR 449 Cb 0.56 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.27 1xjj h TYR 449 CO 0.00 0.00 -1.56 -2.13 -1.05 0.00 0.00 178.16 173.42 1xjj n ARG 450 N -2.93 0.32 0.00 4.88 3.00 -0.72 -3.77 116.66 117.45 1xjj n ARG 450 Ca -0.01 0.14 0.15 0.00 -0.00 0.00 0.00 57.85 58.13 1xjj n ARG 450 Cb 0.16 -1.05 0.90 0.00 0.00 0.00 0.00 32.46 32.48 1xjj n ARG 450 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1xjj n THR 451 N -3.78 0.00 -4.36 5.15 -2.24 0.04 -4.82 114.28 104.27 1xjj n THR 451 Ca -0.25 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.34 1xjj n THR 451 Cb 0.62 -0.52 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 1xjj n THR 451 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1xjj s GLU 452 N -2.01 1.38 0.01 -0.78 2.02 -1.12 -5.01 118.70 113.20 1xjj s GLU 452 Ca 0.45 -1.67 0.01 0.00 0.02 0.00 0.00 54.97 53.79 1xjj s GLU 452 Cb 0.21 -0.94 -0.04 0.00 0.10 0.00 0.00 34.13 33.46 1xjj s GLU 452 CO 0.35 0.04 0.03 -0.51 0.02 0.00 0.00 175.26 175.20 1xjj s ASP 453 N -3.34 5.30 -1.40 -0.19 1.01 -1.26 -4.73 116.67 112.05 1xjj s ASP 453 Ca 0.26 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.54 1xjj s ASP 453 Cb 0.03 -1.42 0.00 0.00 1.01 0.00 0.00 42.92 42.54 1xjj s ASP 453 CO 0.08 0.26 0.00 0.59 0.21 0.00 0.00 175.17 176.31 1xjj n ASN 454 N 1.19 -4.57 -4.71 0.27 3.02 -1.26 -4.99 115.26 104.20 1xjj n ASN 454 Ca -0.13 0.26 -0.42 0.00 -0.03 0.00 0.00 54.58 54.26 1xjj n ASN 454 Cb 0.53 -3.40 -0.03 0.00 -0.61 0.00 0.00 39.78 36.27 1xjj n ASN 454 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 1xjj s PHE 455 N -2.56 3.58 -0.04 3.10 5.36 -1.26 -5.03 117.98 121.13 1xjj s PHE 455 Ca 0.00 1.57 0.01 0.00 -0.96 0.00 0.00 56.93 57.55 1xjj s PHE 455 Cb 0.00 -3.22 0.02 0.00 -0.34 0.00 0.00 43.02 39.48 1xjj s PHE 455 CO 0.00 -0.41 -0.06 0.08 -1.46 0.00 0.00 175.22 173.37 1xjj s VAL 456 N 1.09 0.61 -1.08 3.12 1.01 -1.26 -4.81 120.40 119.08 1xjj s VAL 456 Ca 0.54 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1xjj s VAL 456 Cb -0.23 -0.60 0.13 0.00 0.00 0.00 0.00 36.38 35.67 1xjj s VAL 456 CO 0.28 0.23 0.77 -0.81 0.00 0.00 0.00 175.10 175.57 1xjj n PRO 457 N 3.82 1.56 -4.04 2.72 -0.04 -1.26 -4.81 135.00 132.95 1xjj n PRO 457 Ca -0.23 -0.49 -0.10 0.00 -0.04 0.00 0.00 63.50 62.64 1xjj n PRO 457 Cb 0.52 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 1xjj n PRO 457 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1xjj s PHE 458 N -1.38 0.57 0.22 0.54 -0.12 -1.26 -4.33 117.98 112.21 1xjj s PHE 458 Ca 0.09 -0.90 0.07 0.00 -0.05 0.00 0.00 56.93 56.13 1xjj s PHE 458 Cb 0.06 0.05 0.16 0.00 -0.63 0.00 0.00 43.02 42.66 1xjj s PHE 458 CO 0.03 -0.97 1.49 0.00 -0.05 0.00 0.00 175.22 175.73 1xjj h ALA 459 N 2.29 0.74 -0.68 1.99 0.00 -1.77 -3.49 119.26 118.34 1xjj h ALA 459 Ca -0.28 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1xjj h ALA 459 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1xjj h ALA 459 CO 0.39 0.86 0.00 -1.33 0.00 0.00 0.00 179.25 179.17 1xjj n MET 460 N -3.72 0.00 -0.42 0.00 2.81 0.25 -4.97 117.12 111.07 1xjj n MET 460 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 1xjj n MET 460 Cb 0.71 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.22 1xjj n MET 460 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xjj n GLY 461 N 0.00 0.78 1.00 3.03 0.00 -1.26 -4.89 105.19 103.85 1xjj n GLY 461 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.92 1xjj n GLY 461 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xjj n MET 462 N -2.42 0.00 -3.64 1.61 2.81 -1.26 -5.11 117.12 109.10 1xjj n MET 462 Ca 0.00 -1.32 -0.16 0.00 -1.81 0.00 0.00 57.70 54.41 1xjj n MET 462 Cb 0.00 -0.09 -0.07 0.00 -0.71 0.00 0.00 33.22 32.34 1xjj n MET 462 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1xjj s SER 463 N -1.32 -0.43 0.57 7.83 0.15 -1.26 -4.34 113.70 114.90 1xjj s SER 463 Ca 0.15 0.42 0.37 0.00 0.70 0.00 0.00 55.95 57.58 1xjj s SER 463 Cb 0.17 0.44 1.72 0.00 -1.71 0.00 0.00 66.02 66.64 1xjj s SER 463 CO -0.07 -0.52 2.10 -0.55 1.20 0.00 0.00 173.24 175.40 1xjj h ASN 464 N 3.49 0.00 0.58 5.45 7.08 -1.97 -3.14 115.58 127.06 1xjj h ASN 464 Ca -0.28 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 1xjj h ASN 464 Cb 1.16 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 1xjj h ASN 464 CO 0.39 0.00 0.00 -1.22 -2.08 0.00 0.00 177.43 174.52 1xjj n TYR 465 N -3.01 0.00 -0.29 4.14 4.01 -1.26 -4.33 117.16 116.42 1xjj n TYR 465 Ca -0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1xjj n TYR 465 Cb 0.21 -0.31 0.21 0.00 -0.31 0.00 0.00 39.34 39.14 1xjj n TYR 465 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1xjj h ASP 466 N 0.00 0.50 -0.06 7.72 3.45 -1.96 -1.77 116.42 124.30 1xjj h ASP 466 Ca 0.00 0.09 -0.19 0.00 0.43 0.00 0.00 57.03 57.36 1xjj h ASP 466 Cb 0.29 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.07 1xjj h ASP 466 CO 0.00 0.22 -0.66 0.44 -1.57 0.00 0.00 179.24 177.66 1xjj h ASP 467 N 0.60 0.79 -0.58 6.45 3.32 -1.88 -1.82 116.42 123.31 1xjj h ASP 467 Ca 0.45 -0.48 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 1xjj h ASP 467 Cb 0.62 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1xjj h ASP 467 CO -0.36 1.25 -0.06 -0.33 -1.72 0.00 0.00 179.24 178.02 1xjj h GLU 468 N 0.50 1.06 -0.39 3.56 5.08 -1.74 -2.52 114.58 120.13 1xjj h GLU 468 Ca -0.02 -0.37 0.07 0.00 -1.00 0.00 0.00 59.36 58.04 1xjj h GLU 468 Cb 1.26 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 1xjj h GLU 468 CO 0.13 1.07 0.02 0.82 -1.00 0.00 0.00 179.01 180.05 1xjj h ILE 469 N 0.95 0.73 -0.99 3.13 2.04 -1.12 -0.05 117.51 122.20 1xjj h ILE 469 Ca 0.16 -0.04 0.20 0.00 1.00 0.00 0.00 64.86 66.17 1xjj h ILE 469 Cb 0.63 0.59 -0.10 0.00 -0.74 0.00 0.00 36.82 37.20 1xjj h ILE 469 CO 0.04 0.02 0.62 0.03 0.00 0.00 0.00 178.15 178.86 1xjj h ARG 470 N 0.13 0.65 -0.07 2.37 3.08 -1.16 -1.11 114.38 118.27 1xjj h ARG 470 Ca 0.19 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 1xjj h ARG 470 Cb 0.26 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1xjj h ARG 470 CO -0.30 0.43 -0.07 1.49 -1.07 0.00 0.00 179.97 180.44 1xjj h GLU 471 N 0.67 0.17 -0.50 0.04 4.57 -0.64 -1.58 114.58 117.30 1xjj h GLU 471 Ca 0.56 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 58.64 1xjj h GLU 471 Cb 1.00 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1xjj h GLU 471 CO -0.34 0.62 0.27 -0.24 -1.18 0.00 0.00 179.01 178.13 1xjj h VAL 472 N -0.28 1.16 -0.33 0.32 3.04 -0.60 -1.38 116.25 118.19 1xjj h VAL 472 Ca 0.01 -0.41 -0.12 0.00 -1.01 0.00 0.00 66.70 65.17 1xjj h VAL 472 Cb 0.59 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 1xjj h VAL 472 CO 0.02 0.18 -0.30 0.24 -1.01 0.00 0.00 177.57 176.69 1xjj h MET 473 N 0.69 0.70 -0.62 4.17 2.86 -1.03 -1.24 114.93 120.47 1xjj h MET 473 Ca 0.18 -0.31 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1xjj h MET 473 Cb 0.03 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1xjj h MET 473 CO -0.03 0.91 0.39 0.87 1.06 0.00 0.00 176.91 180.11 1xjj h LYS 474 N 0.60 0.83 -0.42 1.72 1.57 -0.85 -3.07 116.57 116.95 1xjj h LYS 474 Ca 0.07 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xjj h LYS 474 Cb 0.81 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 1xjj h LYS 474 CO 0.07 0.58 0.20 0.52 -0.57 0.00 0.00 179.45 180.25 1xjj h MET 475 N 0.84 0.59 0.00 3.15 2.86 -0.60 -2.39 114.93 119.37 1xjj h MET 475 Ca 0.22 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1xjj h MET 475 Cb -0.05 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1xjj h MET 475 CO -0.04 0.46 0.00 0.25 1.06 0.00 0.00 176.91 178.64 1xjj n THR 476 N -4.40 0.00 0.26 2.22 -2.24 -0.53 -1.54 114.28 108.05 1xjj n THR 476 Ca 0.03 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1xjj n THR 476 Cb 0.12 -0.41 0.73 0.00 -2.10 0.00 0.00 70.33 68.67 1xjj n THR 476 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1xjj h LYS 477 N 0.00 0.00 0.00 -0.78 3.64 -1.44 -3.34 116.57 114.65 1xjj h LYS 477 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1xjj h LYS 477 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1xjj h LYS 477 CO 0.00 0.09 -1.48 -0.85 -2.27 0.00 0.00 179.45 174.94 1xjj n GLU 478 N -3.94 0.55 -4.46 1.90 0.28 -0.59 -4.77 120.64 109.62 1xjj n GLU 478 Ca -0.02 0.46 -0.23 0.00 -0.16 0.00 0.00 57.16 57.20 1xjj n GLU 478 Cb 0.18 -1.65 -0.16 0.00 1.43 0.00 0.00 31.44 31.24 1xjj n GLU 478 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1xjj s PHE 479 N -2.43 1.24 -0.30 -1.84 0.08 -1.21 -5.01 117.98 108.51 1xjj s PHE 479 Ca -0.29 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.20 1xjj s PHE 479 Cb 0.08 -0.94 0.13 0.00 -0.57 0.00 0.00 43.02 41.71 1xjj s PHE 479 CO 0.49 -0.25 0.73 0.50 -0.10 0.00 0.00 175.22 176.59 1xjj s ARG 480 N 0.74 0.53 0.20 0.44 3.52 -1.26 -4.12 118.95 119.01 1xjj s ARG 480 Ca -0.14 1.28 0.23 0.00 -0.13 0.00 0.00 55.73 56.97 1xjj s ARG 480 Cb -0.15 0.70 0.20 0.00 -1.56 0.00 0.00 34.95 34.14 1xjj s ARG 480 CO 0.03 -0.17 1.25 -0.09 -0.81 0.00 0.00 175.30 175.50 1xjj h ARG 481 N 7.75 0.00 -3.47 5.12 9.65 -1.59 -1.96 114.38 129.88 1xjj h ARG 481 Ca -0.19 0.00 -0.19 0.00 -1.10 0.00 0.00 59.98 58.50 1xjj h ARG 481 Cb 1.12 0.00 -0.26 0.00 -1.39 0.00 0.00 29.97 29.44 1xjj h ARG 481 CO 0.11 0.00 -0.58 -0.80 2.80 0.00 0.00 179.97 181.50 1xjj s ASN 482 N -5.00 -0.09 0.26 -3.80 -0.87 -1.26 -3.79 114.94 100.39 1xjj s ASN 482 Ca 0.03 0.17 0.05 0.00 -1.57 0.00 0.00 52.86 51.55 1xjj s ASN 482 Cb 0.11 0.23 0.35 0.00 -0.02 0.00 0.00 41.25 41.92 1xjj s ASN 482 CO 0.74 -0.08 1.63 1.62 -2.57 0.00 0.00 177.10 178.44 1xjj h VAL 483 N 4.89 1.35 -2.98 1.60 3.04 -1.50 -3.45 116.25 119.20 1xjj h VAL 483 Ca -0.26 -1.75 -0.06 0.00 -1.01 0.00 0.00 66.70 63.62 1xjj h VAL 483 Cb 1.20 1.84 -0.15 0.00 -2.01 0.00 0.00 31.29 32.17 1xjj h VAL 483 CO 0.43 0.52 0.01 0.00 -1.01 0.00 0.00 177.57 177.52 1xjj s ALA 484 N -3.95 -1.22 0.00 3.17 0.00 -1.26 -4.80 121.76 113.70 1xjj s ALA 484 Ca -0.04 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1xjj s ALA 484 Cb 0.13 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1xjj s ALA 484 CO 0.78 -0.56 0.00 1.28 0.00 0.00 0.00 175.76 177.27 1xjj n LEU 485 N 0.18 0.00 -4.13 0.00 4.32 -1.25 -0.91 117.00 115.22 1xjj n LEU 485 Ca -0.18 -0.32 -0.14 0.00 -0.02 0.00 0.00 56.01 55.36 1xjj n LEU 485 Cb 0.62 0.00 -0.11 0.00 -1.62 0.00 0.00 43.42 42.30 1xjj n LEU 485 CO 0.18 0.00 -0.41 -0.76 -1.22 0.00 0.00 177.39 175.18 1xjj s LEU 486 N -1.30 2.34 0.24 2.23 1.43 -1.22 -0.40 118.68 122.00 1xjj s LEU 486 Ca 0.00 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.18 1xjj s LEU 486 Cb 0.00 -0.26 0.03 0.00 0.03 0.00 0.00 46.19 45.99 1xjj s LEU 486 CO 0.00 -0.23 0.73 0.28 0.23 0.00 0.00 176.35 177.36 1xjj s THR 487 N -1.98 0.00 -0.11 5.49 -1.32 -0.58 -2.53 115.64 114.61 1xjj s THR 487 Ca -0.01 -0.79 0.02 0.00 -1.21 0.00 0.00 61.69 59.70 1xjj s THR 487 Cb -0.06 -1.83 0.01 0.00 -1.51 0.00 0.00 72.50 69.12 1xjj s THR 487 CO 0.00 0.00 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.61 1xjj s ILE 488 N -3.80 1.61 0.37 5.08 -1.09 -1.15 -3.46 121.20 118.76 1xjj s ILE 488 Ca 0.10 -0.72 0.07 0.00 -2.23 0.00 0.00 60.65 57.87 1xjj s ILE 488 Cb -0.05 -1.45 -0.01 0.00 -1.58 0.00 0.00 42.46 39.37 1xjj s ILE 488 CO 0.03 0.46 0.40 0.00 -1.23 0.00 0.00 174.94 174.61 1xjj s ALA 489 N 0.85 4.11 0.35 9.38 0.00 -1.26 0.33 121.76 135.51 1xjj s ALA 489 Ca -0.09 -1.68 0.08 0.00 0.00 0.00 0.00 51.96 50.26 1xjj s ALA 489 Cb -0.15 -1.32 0.65 0.00 0.00 0.00 0.00 23.12 22.31 1xjj s ALA 489 CO 0.00 -0.12 1.85 -1.35 0.00 0.00 0.00 175.76 176.14 1xjj h PRO 490 N 1.01 0.30 -5.35 0.00 0.11 -1.93 -3.39 132.00 122.74 1xjj h PRO 490 Ca -0.43 -0.09 -0.41 0.00 0.11 0.00 0.00 66.00 65.18 1xjj h PRO 490 Cb 1.26 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 1xjj h PRO 490 CO 0.54 0.48 -0.62 0.25 -0.21 0.00 0.00 178.00 178.44 1xjj n THR 491 N -4.21 -1.62 -0.11 -1.15 -2.24 -1.26 -3.63 114.28 100.07 1xjj n THR 491 Ca -0.01 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.89 1xjj n THR 491 Cb 0.32 -2.66 0.48 0.00 -2.10 0.00 0.00 70.33 66.37 1xjj n THR 491 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xjj h GLY 492 N -1.43 0.65 0.00 3.38 0.00 -1.98 -2.18 103.07 101.52 1xjj h GLY 492 Ca -0.50 -0.19 -0.32 0.00 0.00 0.00 0.00 47.33 46.31 1xjj h GLY 492 CO 0.58 0.12 -2.21 1.44 0.00 0.00 0.00 176.54 176.46 1xjj n SER 493 N -4.48 2.29 0.19 0.19 7.64 -1.26 -4.41 113.62 113.79 1xjj n SER 493 Ca 0.10 -0.08 0.14 0.00 1.01 0.00 0.00 58.87 60.04 1xjj n SER 493 Cb 0.36 -0.36 0.41 0.00 -1.01 0.00 0.00 64.21 63.61 1xjj n SER 493 CO 0.00 0.00 0.00 0.16 -3.01 0.00 0.00 175.04 172.19 1xjj h ILE 494 N -0.07 0.00 0.01 0.44 3.07 -1.93 -1.98 117.51 117.04 1xjj h ILE 494 Ca -0.48 -0.61 -0.19 0.00 1.55 0.00 0.00 64.86 65.13 1xjj h ILE 494 Cb 1.71 1.57 -0.02 0.00 -0.27 0.00 0.00 36.82 39.81 1xjj h ILE 494 CO -0.10 0.00 -0.86 0.77 -1.05 0.00 0.00 178.15 176.91 1xjj h SER 495 N 0.00 0.12 -0.42 2.16 4.64 -1.63 -1.43 113.55 116.99 1xjj h SER 495 Ca 0.00 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 1xjj h SER 495 Cb 0.70 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1xjj h SER 495 CO 0.00 0.92 0.23 0.78 -0.87 0.00 0.00 176.83 177.90 1xjj h ASN 496 N 0.05 0.52 -0.20 4.97 2.35 -1.60 -0.08 115.58 121.59 1xjj h ASN 496 Ca -0.03 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1xjj h ASN 496 Cb 1.50 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1xjj h ASN 496 CO 0.12 0.45 0.10 0.40 -1.65 0.00 0.00 177.43 176.85 1xjj h ILE 497 N 0.54 0.99 0.00 2.81 2.04 -1.32 -2.69 117.51 119.89 1xjj h ILE 497 Ca 0.15 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1xjj h ILE 497 Cb 0.04 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1xjj h ILE 497 CO -0.02 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.16 1xjj n ALA 498 N -2.20 2.55 -3.48 1.87 0.00 -0.55 -4.84 120.51 113.86 1xjj n ALA 498 Ca -0.03 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.06 1xjj n ALA 498 Cb 0.05 -1.47 0.07 0.00 0.00 0.00 0.00 19.45 18.10 1xjj n ALA 498 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1xjj n ASP 499 N -1.06 -2.52 -3.73 0.00 8.00 -0.18 -5.00 116.55 112.06 1xjj n ASP 499 Ca 0.20 -0.70 -0.12 0.00 0.71 0.00 0.00 54.79 54.89 1xjj n ASP 499 Cb 0.13 -4.81 -0.06 0.00 -0.02 0.00 0.00 41.12 36.36 1xjj n ASP 499 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1xjj s THR 500 N -3.45 0.00 0.76 -3.53 -1.32 -0.42 -5.04 115.64 102.65 1xjj s THR 500 Ca 0.08 -1.60 -0.11 0.00 -1.21 0.00 0.00 61.69 58.85 1xjj s THR 500 Cb -0.01 -2.44 0.05 0.00 -1.51 0.00 0.00 72.50 68.59 1xjj s THR 500 CO 0.76 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 173.31 1xjj s SER 501 N -3.13 4.62 -0.20 8.08 1.04 -1.26 -4.47 113.70 118.38 1xjj s SER 501 Ca 0.29 1.75 -0.20 0.00 0.48 0.00 0.00 55.95 58.27 1xjj s SER 501 Cb 0.01 -2.49 -0.03 0.00 0.10 0.00 0.00 66.02 63.61 1xjj s SER 501 CO 0.14 -1.95 0.58 -0.44 0.98 0.00 0.00 173.24 172.55 1xjj s SER 502 N -3.49 6.63 0.86 7.02 0.01 -1.26 -0.30 113.70 123.17 1xjj s SER 502 Ca 0.61 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.63 1xjj s SER 502 Cb -0.16 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1xjj s SER 502 CO 0.56 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.59 1xjj n GLY 503 N 3.83 1.79 0.48 3.44 0.00 -1.24 -1.69 105.19 111.79 1xjj n GLY 503 Ca -0.03 -0.49 0.11 0.00 0.00 0.00 0.00 46.02 45.62 1xjj n GLY 503 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1xjj n LEU 504 N 0.00 1.46 -4.78 0.99 -0.00 -1.26 -3.35 117.00 110.05 1xjj n LEU 504 Ca 0.00 -0.58 -0.36 0.00 -0.00 0.00 0.00 56.01 55.07 1xjj n LEU 504 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.33 1xjj n LEU 504 CO 0.00 0.29 0.78 -1.61 -0.00 0.00 0.00 177.39 176.85 1xjj s GLU 505 N -1.86 3.87 0.73 1.47 0.41 -0.68 -4.70 118.70 117.94 1xjj s GLU 505 Ca 0.34 1.62 -0.11 0.00 -0.41 0.00 0.00 54.97 56.41 1xjj s GLU 505 Cb 0.18 -2.38 0.03 0.00 -1.78 0.00 0.00 34.13 30.18 1xjj s GLU 505 CO 0.28 -0.42 1.08 -1.25 -0.49 0.00 0.00 175.26 174.46 1xjj s PRO 506 N -2.74 2.58 0.30 0.39 0.04 -1.26 -4.10 135.00 130.20 1xjj s PRO 506 Ca 0.63 1.09 -0.29 0.00 0.04 0.00 0.00 61.00 62.46 1xjj s PRO 506 Cb -0.24 -1.94 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 1xjj s PRO 506 CO 0.30 -1.39 1.47 -0.80 0.04 0.00 0.00 177.00 176.62 1xjj s ASN 507 N -3.53 6.53 0.07 6.66 0.01 -1.26 -4.51 114.94 118.91 1xjj s ASN 507 Ca 0.60 2.83 -0.16 0.00 -0.71 0.00 0.00 52.86 55.41 1xjj s ASN 507 Cb -0.16 -2.64 -0.13 0.00 0.41 0.00 0.00 41.25 38.73 1xjj s ASN 507 CO 0.55 -0.77 1.33 0.15 -1.51 0.00 0.00 177.10 176.85 1xjj h PHE 508 N 4.31 0.76 -4.00 2.20 3.04 -1.94 -0.02 116.94 121.28 1xjj h PHE 508 Ca -0.48 -0.28 -0.20 0.00 3.98 0.00 0.00 57.97 61.00 1xjj h PHE 508 Cb 1.22 -0.14 -0.19 0.00 2.56 0.00 0.00 35.95 39.40 1xjj h PHE 508 CO 0.58 1.03 -0.71 -0.51 -2.02 0.00 0.00 178.31 176.68 1xjj s LEU 509 N -8.79 2.33 0.18 0.59 1.43 -1.26 -4.08 118.68 109.08 1xjj s LEU 509 Ca -0.13 -0.68 0.22 0.00 -1.03 0.00 0.00 54.13 52.51 1xjj s LEU 509 Cb 0.07 0.02 -0.02 0.00 0.03 0.00 0.00 46.19 46.29 1xjj s LEU 509 CO 0.83 -0.35 1.01 0.18 0.23 0.00 0.00 176.35 178.24 1xjj n LEU 510 N 1.04 0.86 -3.71 1.79 4.77 -1.26 -4.91 117.00 115.58 1xjj n LEU 510 Ca -0.20 0.34 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1xjj n LEU 510 Cb 0.57 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 1xjj n LEU 510 CO 0.23 -0.14 0.12 0.00 -1.33 0.00 0.00 177.39 176.28 1xjj s ALA 511 N -3.30 -1.04 0.06 -1.18 0.00 -1.26 0.45 121.76 115.48 1xjj s ALA 511 Ca -0.01 0.75 -0.27 0.00 0.00 0.00 0.00 51.96 52.43 1xjj s ALA 511 Cb 0.09 -0.15 0.09 0.00 0.00 0.00 0.00 23.12 23.15 1xjj s ALA 511 CO 0.79 -0.27 0.91 1.52 0.00 0.00 0.00 175.76 178.72 1xjj s TYR 512 N -0.88 -0.27 -0.22 0.00 -0.85 -0.63 -4.68 117.35 109.83 1xjj s TYR 512 Ca -0.09 0.07 -0.15 0.00 -0.52 0.00 0.00 57.07 56.37 1xjj s TYR 512 Cb -0.04 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1xjj s TYR 512 CO 0.04 -0.65 0.37 0.99 -1.52 0.00 0.00 175.55 174.78 1xjj s THR 513 N -3.18 5.20 0.13 -3.49 2.01 -1.26 -0.69 115.64 114.36 1xjj s THR 513 Ca 0.08 0.63 0.05 0.00 0.31 0.00 0.00 61.69 62.76 1xjj s THR 513 Cb -0.01 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 1xjj s THR 513 CO -0.05 0.23 0.04 0.00 -0.69 0.00 0.00 174.62 174.16 1xjj s ARG 514 N 1.48 2.63 -0.16 4.92 1.70 -0.10 -4.95 118.95 124.47 1xjj s ARG 514 Ca 0.17 -0.91 -0.02 0.00 -0.47 0.00 0.00 55.73 54.49 1xjj s ARG 514 Cb -0.15 -2.53 -0.02 0.00 -0.57 0.00 0.00 34.95 31.68 1xjj s ARG 514 CO 0.08 0.50 -0.08 -0.06 -1.08 0.00 0.00 175.30 174.66 1xjj s PHE 515 N -1.56 2.92 -0.32 5.89 0.08 -1.26 -1.33 117.98 122.39 1xjj s PHE 515 Ca 0.28 -0.63 -0.17 0.00 0.12 0.00 0.00 56.93 56.53 1xjj s PHE 515 Cb -0.11 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1xjj s PHE 515 CO 0.20 -0.26 0.47 0.08 -0.10 0.00 0.00 175.22 175.61 1xjj s VAL 516 N 0.68 5.07 0.15 -0.44 1.01 -1.05 -4.70 120.40 121.11 1xjj s VAL 516 Ca -0.04 0.44 -0.31 0.00 0.00 0.00 0.00 61.98 62.07 1xjj s VAL 516 Cb -0.15 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.27 1xjj s VAL 516 CO 0.02 -0.08 1.43 0.28 0.00 0.00 0.00 175.10 176.75 1xjj s THR 517 N 2.28 3.06 0.19 3.92 -1.32 -1.18 -1.18 115.64 121.41 1xjj s THR 517 Ca 0.18 0.78 0.08 0.00 -1.21 0.00 0.00 61.69 61.52 1xjj s THR 517 Cb -0.16 -3.50 -0.05 0.00 -1.51 0.00 0.00 72.50 67.29 1xjj s THR 517 CO 0.12 0.07 -0.15 -0.54 -2.21 0.00 0.00 174.62 171.91 1xjj s LYS 518 N 0.88 1.31 0.03 7.08 1.02 -1.26 -4.98 119.74 123.81 1xjj s LYS 518 Ca 0.65 -1.53 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 1xjj s LYS 518 Cb -0.39 -1.16 -0.15 0.00 -0.52 0.00 0.00 37.83 35.60 1xjj s LYS 518 CO 0.32 0.21 1.34 1.49 -0.92 0.00 0.00 175.35 177.79 1xjj h GLU 519 N 2.76 0.27 -3.70 1.68 4.81 -1.96 -3.42 114.58 115.03 1xjj h GLU 519 Ca -0.39 -0.13 -0.63 0.00 -0.13 0.00 0.00 59.36 58.07 1xjj h GLU 519 Cb 1.22 0.00 -0.40 0.00 0.63 0.00 0.00 28.75 30.19 1xjj h GLU 519 CO 0.59 0.66 -0.69 0.16 -0.73 0.00 0.00 179.01 179.00 1xjj s ASP 520 N -5.99 4.29 0.00 1.04 1.47 -1.26 -4.93 116.67 111.29 1xjj s ASP 520 Ca -0.15 -2.57 0.00 0.00 1.18 0.00 0.00 52.55 51.02 1xjj s ASP 520 Cb 0.04 -1.45 0.00 0.00 -0.34 0.00 0.00 42.92 41.18 1xjj s ASP 520 CO 0.73 -0.30 0.00 0.61 0.68 0.00 0.00 175.17 176.89 1xjj n GLY 521 N 3.68 -2.12 0.00 2.12 0.00 -1.26 -4.97 105.19 102.64 1xjj n GLY 521 Ca 0.05 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.82 1xjj n GLY 521 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xjj n THR 522 N -0.19 0.00 -0.08 2.61 -1.04 -1.26 -5.14 114.28 109.17 1xjj n THR 522 Ca 0.00 0.04 -0.15 0.00 -2.04 0.00 0.00 64.05 61.90 1xjj n THR 522 Cb 0.00 -0.14 -0.05 0.00 -1.82 0.00 0.00 70.33 68.32 1xjj n THR 522 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1xjj n LYS 523 N 0.00 0.42 -3.79 -2.82 3.00 -1.26 -4.66 118.16 109.05 1xjj n LYS 523 Ca 0.00 0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 58.37 1xjj n LYS 523 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 35.03 33.72 1xjj n LYS 523 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1xjj s GLU 524 N -2.53 0.71 -0.04 1.64 2.12 -0.32 -3.13 118.70 117.15 1xjj s GLU 524 Ca -0.26 -0.45 -0.33 0.00 0.36 0.00 0.00 54.97 54.30 1xjj s GLU 524 Cb 0.07 0.31 -0.16 0.00 0.26 0.00 0.00 34.13 34.61 1xjj s GLU 524 CO 0.35 -0.21 0.91 -2.30 -0.54 0.00 0.00 175.26 173.47 1xjj n PRO 525 N 0.87 0.00 -3.33 4.30 -0.02 -1.26 -2.54 135.00 133.03 1xjj n PRO 525 Ca -0.20 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.18 1xjj n PRO 525 Cb 0.58 -1.22 -0.07 0.00 -0.02 0.00 0.00 33.50 32.77 1xjj n PRO 525 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1xjj s LEU 526 N 0.22 -0.69 -0.05 2.45 2.96 -0.44 -4.85 118.68 118.28 1xjj s LEU 526 Ca 0.75 -0.21 -0.30 0.00 -0.22 0.00 0.00 54.13 54.15 1xjj s LEU 526 Cb -1.05 1.06 -0.03 0.00 0.50 0.00 0.00 46.19 46.67 1xjj s LEU 526 CO 0.48 -0.34 1.07 -0.22 -1.32 0.00 0.00 176.35 176.03 1xjj s LEU 527 N 2.53 4.30 -0.15 -0.68 2.96 -1.26 -0.92 118.68 125.45 1xjj s LEU 527 Ca 0.11 1.69 -0.04 0.00 -0.22 0.00 0.00 54.13 55.67 1xjj s LEU 527 Cb -0.14 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 42.96 1xjj s LEU 527 CO -0.26 -0.44 -0.01 -0.47 -1.32 0.00 0.00 176.35 173.85 1xjj s TYR 528 N 1.72 3.09 -0.00 5.38 5.04 0.13 -4.95 117.35 127.75 1xjj s TYR 528 Ca 0.52 -0.16 0.07 0.00 -2.44 0.00 0.00 57.07 55.07 1xjj s TYR 528 Cb -0.22 -1.96 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1xjj s TYR 528 CO 0.23 0.07 -0.22 0.08 -1.34 0.00 0.00 175.55 174.37 1xjj s VAL 529 N 0.20 1.73 0.03 3.14 1.01 -1.26 -1.60 120.40 123.65 1xjj s VAL 529 Ca -0.00 -1.00 -0.37 0.00 0.00 0.00 0.00 61.98 60.60 1xjj s VAL 529 Cb -0.13 -1.45 -0.16 0.00 0.00 0.00 0.00 36.38 34.63 1xjj s VAL 529 CO 0.02 0.43 1.43 -3.20 0.00 0.00 0.00 175.10 173.78 1xjj n ASN 530 N 2.39 1.87 -0.09 3.32 2.85 0.17 -4.80 115.26 120.96 1xjj n ASN 530 Ca -0.16 1.11 -0.01 0.00 -0.11 0.00 0.00 54.58 55.41 1xjj n ASN 530 Cb 0.53 -1.20 0.24 0.00 1.24 0.00 0.00 39.78 40.59 1xjj n ASN 530 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1xjj h GLN 531 N 5.14 0.73 -0.16 1.20 4.15 -1.98 -0.03 115.11 124.17 1xjj h GLN 531 Ca -0.47 -0.14 -0.15 0.00 0.77 0.00 0.00 58.65 58.66 1xjj h GLN 531 Cb 1.33 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 1xjj h GLN 531 CO 0.82 0.66 -0.55 0.28 -1.93 0.00 0.00 178.83 178.10 1xjj h VAL 532 N 0.71 1.33 -0.33 2.39 2.07 -1.96 -1.14 116.25 119.34 1xjj h VAL 532 Ca 0.16 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.86 1xjj h VAL 532 Cb 0.25 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 1xjj h VAL 532 CO -0.00 0.56 0.20 0.25 0.02 0.00 0.00 177.57 178.59 1xjj h LEU 533 N 0.36 0.39 -0.65 2.57 5.85 -1.67 -1.28 115.31 120.89 1xjj h LEU 533 Ca 0.01 -0.05 0.11 0.00 0.84 0.00 0.00 57.88 58.78 1xjj h LEU 533 Cb 1.08 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.93 1xjj h LEU 533 CO 0.10 0.33 0.23 0.03 -0.34 0.00 0.00 178.44 178.79 1xjj h ARG 534 N 0.42 0.38 -0.22 1.25 3.08 -0.79 0.27 114.38 118.78 1xjj h ARG 534 Ca 0.12 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1xjj h ARG 534 Cb 0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1xjj h ARG 534 CO -0.02 0.25 -0.16 1.49 -1.07 0.00 0.00 179.97 180.47 1xjj h GLU 535 N 0.40 0.37 0.00 0.04 4.81 -0.81 -3.35 114.58 116.03 1xjj h GLU 535 Ca 0.34 -0.10 -0.37 0.00 -0.13 0.00 0.00 59.36 59.09 1xjj h GLU 535 Cb 0.45 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.72 1xjj h GLU 535 CO -0.35 0.52 -2.39 1.63 -0.73 0.00 0.00 179.01 177.70 1xjj n LYS 536 N -4.21 0.72 -3.17 1.92 4.76 -0.52 -4.96 118.16 112.70 1xjj n LYS 536 Ca -0.00 0.04 -0.36 0.00 -2.87 0.00 0.00 58.31 55.12 1xjj n LYS 536 Cb 0.32 -1.51 -0.06 0.00 -1.84 0.00 0.00 35.03 31.94 1xjj n LYS 536 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1xjj s LEU 537 N -5.80 4.36 -0.03 -0.35 2.96 0.03 -5.00 118.68 114.85 1xjj s LEU 537 Ca -0.18 1.33 -0.33 0.00 -0.22 0.00 0.00 54.13 54.73 1xjj s LEU 537 Cb 0.07 -3.46 -0.11 0.00 0.50 0.00 0.00 46.19 43.19 1xjj s LEU 537 CO 0.74 0.07 1.86 -3.20 -1.32 0.00 0.00 176.35 174.50 1xjj n ASN 538 N 0.82 3.56 0.24 3.68 5.15 -1.26 -4.84 115.26 122.61 1xjj n ASN 538 Ca -0.04 0.97 0.18 0.00 -0.60 0.00 0.00 54.58 55.10 1xjj n ASN 538 Cb 0.51 -1.41 0.87 0.00 -0.53 0.00 0.00 39.78 39.22 1xjj n ASN 538 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1xjj h PRO 539 N 9.03 0.00 0.00 1.20 0.11 -1.95 0.22 132.00 140.61 1xjj h PRO 539 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xjj h PRO 539 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1xjj h PRO 539 CO 0.94 0.00 -0.00 1.49 -0.21 0.00 0.00 178.00 180.22 1xjj h GLU 540 N 0.00 -0.00 -0.30 1.05 4.81 -2.01 -2.85 114.58 115.28 1xjj h GLU 540 Ca 0.07 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1xjj h GLU 540 Cb 0.55 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.86 1xjj h GLU 540 CO -0.00 0.67 -0.18 0.82 -0.73 0.00 0.00 179.01 179.60 1xjj h ILE 541 N -0.68 0.49 -0.63 2.32 2.04 -1.25 -2.91 117.51 116.89 1xjj h ILE 541 Ca -0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 1xjj h ILE 541 Cb 0.68 0.49 -0.12 0.00 -0.74 0.00 0.00 36.82 37.13 1xjj h ILE 541 CO 0.00 0.00 -0.21 0.25 0.00 0.00 0.00 178.15 178.20 1xjj h LEU 542 N -0.14 -0.74 -0.86 1.44 6.46 -0.76 -1.55 115.31 119.15 1xjj h LEU 542 Ca 0.16 0.20 -0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1xjj h LEU 542 Cb 0.38 0.45 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 1xjj h LEU 542 CO -0.38 -0.24 -0.41 0.50 -0.62 0.00 0.00 178.44 177.28 1xjj h LYS 543 N -0.05 0.33 0.58 1.25 3.64 -1.32 -0.00 116.57 121.00 1xjj h LYS 543 Ca 0.29 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.48 1xjj h LYS 543 Cb 0.50 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1xjj h LYS 543 CO -0.67 0.69 -0.28 -0.09 -2.27 0.00 0.00 179.45 176.83 1xjj h ARG 544 N 0.28 -0.75 0.00 1.90 2.43 -1.24 -3.36 114.38 113.64 1xjj h ARG 544 Ca 0.02 0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1xjj h ARG 544 Cb 0.84 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 1xjj h ARG 544 CO 0.07 -0.50 -0.43 -0.84 -1.51 0.00 0.00 179.97 176.76 1xjj h ILE 545 N -0.93 1.23 -0.90 1.20 3.07 -1.24 -3.35 117.51 116.58 1xjj h ILE 545 Ca -0.08 -1.50 0.37 0.00 1.55 0.00 0.00 64.86 65.19 1xjj h ILE 545 Cb 0.60 1.83 -0.16 0.00 -0.27 0.00 0.00 36.82 38.81 1xjj h ILE 545 CO 0.13 0.42 0.44 -0.62 -1.05 0.00 0.00 178.15 177.47 1xjj n GLU 546 N -3.91 -0.06 0.02 0.16 1.02 -0.02 -0.01 120.64 117.83 1xjj n GLU 546 Ca -0.01 1.26 -0.13 0.00 -0.02 0.00 0.00 57.16 58.26 1xjj n GLU 546 Cb 0.47 -2.23 -0.09 0.00 -0.02 0.00 0.00 31.44 29.57 1xjj n GLU 546 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1xjj h LYS 547 N 0.00 -0.01 -0.03 3.49 1.57 -1.82 -2.38 116.57 117.39 1xjj h LYS 547 Ca 0.75 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.40 1xjj h LYS 547 Cb 1.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 1xjj h LYS 547 CO -0.71 0.25 -0.54 1.49 -0.57 0.00 0.00 179.45 179.37 1xjj h GLU 548 N -0.28 0.08 -0.20 3.15 4.81 -0.70 -2.45 114.58 118.99 1xjj h GLU 548 Ca -0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1xjj h GLU 548 Cb 0.27 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1xjj h GLU 548 CO 0.00 0.61 0.06 1.25 -0.73 0.00 0.00 179.01 180.20 1xjj h LEU 549 N 0.06 0.29 -0.56 1.64 5.85 -1.18 0.33 115.31 121.74 1xjj h LEU 549 Ca -0.00 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.45 1xjj h LEU 549 Cb 0.98 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 1xjj h LEU 549 CO 0.08 0.42 0.12 0.40 -0.34 0.00 0.00 178.44 179.12 1xjj h ILE 550 N 0.14 1.25 -0.42 4.05 2.04 -1.41 0.12 117.51 123.28 1xjj h ILE 550 Ca 0.06 -0.92 0.03 0.00 1.00 0.00 0.00 64.86 65.03 1xjj h ILE 550 Cb 0.24 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.05 1xjj h ILE 550 CO -0.00 0.34 0.20 -0.08 0.00 0.00 0.00 178.15 178.61 1xjj h GLU 551 N 0.81 0.40 0.00 2.37 4.81 -1.28 -3.35 114.58 118.34 1xjj h GLU 551 Ca 0.17 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1xjj h GLU 551 Cb 0.37 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1xjj h GLU 551 CO 0.01 0.27 -2.00 1.63 -0.73 0.00 0.00 179.01 178.18 1xjj n LYS 552 N -4.92 0.66 -0.71 1.92 5.02 0.11 -4.99 118.16 115.24 1xjj n LYS 552 Ca 0.02 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1xjj n LYS 552 Cb 0.11 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1xjj n LYS 552 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjj n GLY 553 N 1.47 0.74 3.41 0.72 0.00 0.40 -5.00 105.19 106.93 1xjj n GLY 553 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 1xjj n GLY 553 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xjj s SER 554 N -2.47 -0.51 0.15 1.61 0.15 -1.25 -4.74 113.70 106.64 1xjj s SER 554 Ca 0.00 0.05 0.26 0.00 0.70 0.00 0.00 55.95 56.95 1xjj s SER 554 Cb 0.00 0.56 0.66 0.00 -1.71 0.00 0.00 66.02 65.53 1xjj s SER 554 CO 0.00 -0.89 1.61 0.18 1.20 0.00 0.00 173.24 175.34 1xjj n LEU 555 N -0.14 0.71 -0.20 3.45 4.77 -1.26 -4.59 117.00 119.74 1xjj n LEU 555 Ca -0.17 0.42 -0.00 0.00 -0.03 0.00 0.00 56.01 56.23 1xjj n LEU 555 Cb 0.63 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1xjj n LEU 555 CO 0.15 -0.11 0.78 0.07 -1.33 0.00 0.00 177.39 176.95 1xjj h LYS 556 N 0.00 0.05 -0.95 3.23 2.10 -1.93 -1.74 116.57 117.33 1xjj h LYS 556 Ca 0.00 -0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 58.01 1xjj h LYS 556 Cb 0.71 -0.01 -0.34 0.00 -0.90 0.00 0.00 32.23 31.69 1xjj h LYS 556 CO 0.00 0.03 0.25 -0.25 -2.00 0.00 0.00 179.45 177.48 1xjj n ASP 557 N -5.35 6.67 -4.56 7.07 8.00 -1.26 -4.93 116.55 122.18 1xjj n ASP 557 Ca 0.08 -3.78 -0.36 0.00 0.71 0.00 0.00 54.79 51.44 1xjj n ASP 557 Cb 0.33 -0.75 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 1xjj n ASP 557 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjj s ILE 558 N -4.77 4.74 0.22 0.53 1.01 -0.66 -5.07 121.20 117.20 1xjj s ILE 558 Ca 0.59 -0.03 -0.31 0.00 0.00 0.00 0.00 60.65 60.90 1xjj s ILE 558 Cb 0.47 -3.20 -0.11 0.00 0.01 0.00 0.00 42.46 39.63 1xjj s ILE 558 CO -0.01 0.37 1.60 -2.16 0.00 0.00 0.00 174.94 174.73 1xjj s PRO 559 N 1.15 4.18 -0.70 2.79 0.04 -1.26 -3.82 135.00 137.37 1xjj s PRO 559 Ca 0.05 2.47 -0.01 0.00 0.04 0.00 0.00 61.00 63.55 1xjj s PRO 559 Cb -0.14 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1xjj s PRO 559 CO 0.04 -0.62 0.16 -0.25 0.04 0.00 0.00 177.00 176.36 1xjj n ASP 560 N 3.33 -3.34 -4.66 6.66 8.00 -1.26 -5.04 116.55 120.24 1xjj n ASP 560 Ca 0.12 -0.08 -0.35 0.00 0.71 0.00 0.00 54.79 55.20 1xjj n ASP 560 Cb 0.38 -2.40 -0.09 0.00 -0.02 0.00 0.00 41.12 38.98 1xjj n ASP 560 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1xjj s VAL 561 N -2.66 4.63 0.52 2.53 0.11 -1.25 -5.07 120.40 119.21 1xjj s VAL 561 Ca 0.08 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.81 1xjj s VAL 561 Cb -0.03 -3.03 -0.08 0.00 -1.53 0.00 0.00 36.38 31.71 1xjj s VAL 561 CO 0.10 0.52 0.96 -2.65 -3.33 0.00 0.00 175.10 170.70 1xjj n PRO 562 N 2.97 1.09 -0.18 1.54 -0.02 -1.26 -4.77 135.00 134.36 1xjj n PRO 562 Ca -0.18 0.41 -0.04 0.00 -2.02 0.00 0.00 63.50 61.67 1xjj n PRO 562 Cb 0.53 -2.09 0.06 0.00 -0.02 0.00 0.00 33.50 31.98 1xjj n PRO 562 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xjj h GLU 563 N 0.94 0.55 0.00 -0.52 4.57 -1.99 -2.09 114.58 116.05 1xjj h GLU 563 Ca -0.47 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 57.68 1xjj h GLU 563 Cb 1.35 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.82 1xjj h GLU 563 CO 0.53 0.37 -0.02 0.87 -1.18 0.00 0.00 179.01 179.58 1xjj h LYS 564 N 0.57 0.00 0.01 1.92 1.57 -1.99 -0.42 116.57 118.23 1xjj h LYS 564 Ca 0.24 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.89 1xjj h LYS 564 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.44 1xjj h LYS 564 CO -0.15 0.02 -0.49 0.82 -0.57 0.00 0.00 179.45 179.08 1xjj h ILE 565 N 0.00 1.48 -0.24 1.86 1.08 -1.74 -2.13 117.51 117.81 1xjj h ILE 565 Ca -0.00 -2.07 -0.01 0.00 -0.39 0.00 0.00 64.86 62.39 1xjj h ILE 565 Cb 0.04 2.71 -0.01 0.00 -3.07 0.00 0.00 36.82 36.48 1xjj h ILE 565 CO 0.00 0.59 0.12 0.11 -0.69 0.00 0.00 178.15 178.28 1xjj h LYS 566 N -0.27 0.32 0.09 2.37 1.57 -0.83 0.52 116.57 120.34 1xjj h LYS 566 Ca -0.06 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.43 1xjj h LYS 566 Cb 1.23 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1xjj h LYS 566 CO 0.10 0.25 -1.14 0.87 -0.57 0.00 0.00 179.45 178.95 1xjj h LYS 567 N 0.33 0.36 0.02 3.15 1.57 -1.09 -3.35 116.57 117.56 1xjj h LYS 567 Ca 0.09 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1xjj h LYS 567 Cb 0.02 0.17 0.01 0.00 0.08 0.00 0.00 32.23 32.51 1xjj h LYS 567 CO -0.01 1.20 -0.21 0.28 -0.57 0.00 0.00 179.45 180.13 1xjj h VAL 568 N 0.15 1.64 -0.85 0.50 2.07 -1.08 -3.38 116.25 115.30 1xjj h VAL 568 Ca -0.12 -2.15 -0.70 0.00 0.82 0.00 0.00 66.70 64.54 1xjj h VAL 568 Cb 1.83 3.06 -0.09 0.00 -1.52 0.00 0.00 31.29 34.57 1xjj h VAL 568 CO 0.20 0.58 2.63 0.49 0.02 0.00 0.00 177.57 181.49 1xjj n PHE 569 N -4.52 2.47 -2.95 1.57 3.01 0.15 -4.55 117.46 112.64 1xjj n PHE 569 Ca -0.10 -2.83 -0.35 0.00 1.01 0.00 0.00 57.45 55.18 1xjj n PHE 569 Cb 0.53 -1.97 -0.06 0.00 -0.01 0.00 0.00 39.48 37.96 1xjj n PHE 569 CO 0.00 0.00 0.00 0.14 1.01 0.00 0.00 176.76 177.91 1xjj s VAL 570 N -0.37 4.44 0.51 -4.37 -7.23 -1.26 -4.69 120.40 107.43 1xjj s VAL 570 Ca 0.58 1.43 0.06 0.00 -1.81 0.00 0.00 61.98 62.25 1xjj s VAL 570 Cb 0.19 -3.81 0.02 0.00 0.56 0.00 0.00 36.38 33.35 1xjj s VAL 570 CO -0.09 0.00 0.41 0.68 -0.31 0.00 0.00 175.10 175.80 1xjj s VAL 571 N -1.77 1.96 0.20 1.32 -7.23 -1.26 -4.51 120.40 109.10 1xjj s VAL 571 Ca 0.51 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 1xjj s VAL 571 Cb -0.14 -2.40 0.20 0.00 0.56 0.00 0.00 36.38 34.60 1xjj s VAL 571 CO 0.19 0.00 1.63 0.00 -0.31 0.00 0.00 175.10 176.61 1xjj h ALA 572 N 0.82 0.34 0.00 1.32 0.00 -1.14 -1.50 119.26 119.10 1xjj h ALA 572 Ca -0.38 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xjj h ALA 572 Cb 1.29 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1xjj h ALA 572 CO 0.57 -0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1xjj n LEU 573 N -5.41 0.27 0.14 0.00 4.77 -1.26 -2.09 117.00 113.41 1xjj n LEU 573 Ca 0.06 0.54 0.13 0.00 -0.03 0.00 0.00 56.01 56.71 1xjj n LEU 573 Cb 0.31 -0.48 0.47 0.00 -2.33 0.00 0.00 43.42 41.40 1xjj n LEU 573 CO 0.06 -0.21 0.87 0.44 -1.33 0.00 0.00 177.39 177.23 1xjj h ASP 574 N 0.00 0.00 -3.43 -1.43 3.32 -1.66 -3.45 116.42 109.77 1xjj h ASP 574 Ca 0.00 0.00 -0.63 0.00 0.02 0.00 0.00 57.03 56.42 1xjj h ASP 574 Cb 0.44 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.80 1xjj h ASP 574 CO 0.00 0.00 -0.60 -0.63 -1.72 0.00 0.00 179.24 176.29 1xjj s ILE 575 N -3.28 4.49 0.62 0.35 1.01 -0.89 -4.98 121.20 118.52 1xjj s ILE 575 Ca 0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1xjj s ILE 575 Cb 0.10 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.49 1xjj s ILE 575 CO 0.47 0.42 1.03 1.51 0.00 0.00 0.00 174.94 178.37 1xjj s ASP 576 N 0.81 6.21 0.22 3.58 1.47 -1.26 -4.77 116.67 122.92 1xjj s ASP 576 Ca 0.03 1.43 -0.09 0.00 1.18 0.00 0.00 52.55 55.10 1xjj s ASP 576 Cb -0.14 -2.47 0.34 0.00 -0.34 0.00 0.00 42.92 40.32 1xjj s ASP 576 CO 0.02 -0.89 1.69 -0.65 0.68 0.00 0.00 175.17 176.02 1xjj h PRO 577 N -0.32 0.22 -0.19 2.11 0.11 -1.96 0.66 132.00 132.62 1xjj h PRO 577 Ca -0.44 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1xjj h PRO 577 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1xjj h PRO 577 CO 0.62 0.14 0.03 0.52 -0.21 0.00 0.00 178.00 179.10 1xjj h MET 578 N 0.22 0.27 0.00 1.05 2.86 -1.92 -1.12 114.93 116.29 1xjj h MET 578 Ca 0.35 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.81 1xjj h MET 578 Cb 0.55 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 1xjj h MET 578 CO -0.47 0.27 -0.68 -0.44 1.06 0.00 0.00 176.91 176.65 1xjj h ASP 579 N 0.27 0.00 -0.29 1.22 3.32 -1.27 -0.42 116.42 119.26 1xjj h ASP 579 Ca 0.07 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1xjj h ASP 579 Cb 0.14 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 1xjj h ASP 579 CO -0.00 0.68 0.14 0.45 -1.72 0.00 0.00 179.24 178.79 1xjj h HIS 580 N 0.00 0.41 -0.39 4.55 3.86 -0.53 -2.73 115.15 120.32 1xjj h HIS 580 Ca -0.01 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1xjj h HIS 580 Cb 1.23 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 29.56 1xjj h HIS 580 CO 0.00 0.36 0.07 1.25 0.86 0.00 0.00 177.93 180.47 1xjj h LEU 581 N 0.33 0.62 -1.18 2.43 5.85 -0.97 -2.49 115.31 119.91 1xjj h LEU 581 Ca 0.10 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.49 1xjj h LEU 581 Cb 0.11 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1xjj h LEU 581 CO -0.01 0.72 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.51 1xjj h LEU 582 N 0.50 0.28 -0.13 2.25 3.38 -1.17 -0.81 115.31 119.61 1xjj h LEU 582 Ca 0.12 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xjj h LEU 582 Cb 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1xjj h LEU 582 CO 0.01 0.52 0.08 -0.03 0.09 0.00 0.00 178.44 179.11 1xjj h MET 583 N 0.26 0.17 -0.64 1.13 4.05 -1.13 -1.74 114.93 117.02 1xjj h MET 583 Ca 0.04 -0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.58 1xjj h MET 583 Cb 0.55 -0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.22 1xjj h MET 583 CO 0.04 0.11 0.16 0.37 0.23 0.00 0.00 176.91 177.82 1xjj h GLN 584 N 0.17 0.28 -0.93 0.39 4.15 -1.18 -1.47 115.11 116.51 1xjj h GLN 584 Ca 0.05 -0.02 0.05 0.00 0.77 0.00 0.00 58.65 59.50 1xjj h GLN 584 Cb -0.01 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.55 1xjj h GLN 584 CO -0.01 0.18 0.60 0.22 -1.93 0.00 0.00 178.83 177.89 1xjj h ASP 585 N 0.28 0.97 -0.39 -0.69 1.82 -0.91 0.24 116.42 117.74 1xjj h ASP 585 Ca 0.34 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.96 1xjj h ASP 585 Cb 0.53 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.31 1xjj h ASP 585 CO -0.42 0.64 0.12 0.00 -1.61 0.00 0.00 179.24 177.97 1xjj h ALA 586 N 1.41 0.51 -0.17 -0.78 0.00 -0.36 -2.69 119.26 117.17 1xjj h ALA 586 Ca 0.39 -0.17 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1xjj h ALA 586 Cb 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1xjj h ALA 586 CO -0.15 0.15 -0.67 0.74 0.00 0.00 0.00 179.25 179.32 1xjj h PHE 587 N 0.48 0.87 0.00 0.00 0.04 -1.18 -3.21 116.94 113.94 1xjj h PHE 587 Ca 0.13 -0.35 -0.00 0.00 2.80 0.00 0.00 57.97 60.54 1xjj h PHE 587 Cb 0.25 -0.15 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 1xjj h PHE 587 CO 0.01 1.15 -0.01 0.37 -0.60 0.00 0.00 178.31 179.23 1xjj h GLN 588 N 0.48 0.00 0.00 1.51 5.75 -0.23 0.02 115.11 122.64 1xjj h GLN 588 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1xjj h GLN 588 Cb 1.27 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.82 1xjj h GLN 588 CO 0.13 0.01 0.00 0.00 -2.65 0.00 0.00 178.83 176.32 1xjj h ARG 589 N 0.00 0.00 0.00 1.69 3.08 -1.49 -2.94 114.38 114.72 1xjj h ARG 589 Ca -0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 1xjj h ARG 589 Cb 0.04 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 29.94 1xjj h ARG 589 CO 0.00 0.00 -0.66 0.66 -1.07 0.00 0.00 179.97 178.90 1xjj n TYR 590 N -2.68 0.00 -4.26 3.04 4.01 -0.02 -0.58 117.16 116.67 1xjj n TYR 590 Ca 0.01 -0.86 -0.26 0.00 -0.16 0.00 0.00 57.90 56.62 1xjj n TYR 590 Cb 0.23 -0.17 -0.17 0.00 -0.31 0.00 0.00 39.34 38.92 1xjj n TYR 590 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1xjj s VAL 591 N -1.51 1.14 -0.23 -0.72 1.01 -1.11 -4.65 120.40 114.33 1xjj s VAL 591 Ca 0.31 -0.42 0.17 0.00 0.00 0.00 0.00 61.98 62.04 1xjj s VAL 591 Cb 0.32 -1.09 0.12 0.00 0.00 0.00 0.00 36.38 35.73 1xjj s VAL 591 CO -0.09 0.37 1.45 -2.24 0.00 0.00 0.00 175.10 174.59 1xjj h ASP 592 N 7.57 0.00 0.00 3.32 -0.00 -1.76 -3.44 116.42 122.11 1xjj h ASP 592 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1xjj h ASP 592 Cb 1.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.49 1xjj h ASP 592 CO 0.45 0.37 0.00 0.59 -0.00 0.00 0.00 179.24 180.65 1xjj n ASN 593 N -3.17 0.00 -1.29 4.15 3.02 -1.05 -4.93 115.26 111.99 1xjj n ASN 593 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1xjj n ASN 593 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 1xjj n ASN 593 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xjj n ASN 594 N 0.00 1.23 -4.02 6.41 3.02 0.31 -4.97 115.26 117.25 1xjj n ASN 594 Ca 0.00 -0.65 -0.20 0.00 -0.03 0.00 0.00 54.58 53.70 1xjj n ASN 594 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 1xjj n ASN 594 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xjj s ILE 595 N 0.34 0.81 -0.26 2.41 1.01 -1.26 -2.95 121.20 121.30 1xjj s ILE 595 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 60.65 60.06 1xjj s ILE 595 Cb 0.00 -0.71 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1xjj s ILE 595 CO 0.00 0.25 0.63 -0.55 0.00 0.00 0.00 174.94 175.27 1xjj s SER 596 N 0.08 6.57 -0.17 3.58 0.15 0.15 -4.58 113.70 119.47 1xjj s SER 596 Ca -0.01 0.67 -0.07 0.00 0.70 0.00 0.00 55.95 57.23 1xjj s SER 596 Cb -0.07 -2.34 0.07 0.00 -1.71 0.00 0.00 66.02 61.97 1xjj s SER 596 CO 0.00 -0.39 0.38 -0.75 1.20 0.00 0.00 173.24 173.68 1xjj s LYS 597 N 2.52 0.31 -0.13 5.44 2.47 -1.26 -4.73 119.74 124.36 1xjj s LYS 597 Ca 0.26 0.86 -0.19 0.00 -1.56 0.00 0.00 55.97 55.34 1xjj s LYS 597 Cb -0.15 0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.29 1xjj s LYS 597 CO 0.09 -0.22 0.54 0.99 0.16 0.00 0.00 175.35 176.91 1xjj s THR 598 N 2.03 5.14 -0.67 3.43 2.01 -1.26 -4.11 115.64 122.21 1xjj s THR 598 Ca -0.05 1.06 -0.20 0.00 0.31 0.00 0.00 61.69 62.81 1xjj s THR 598 Cb -0.11 -3.87 0.09 0.00 0.01 0.00 0.00 72.50 68.63 1xjj s THR 598 CO -0.12 0.27 0.88 -0.63 -0.69 0.00 0.00 174.62 174.33 1xjj s ILE 599 N 0.90 4.60 0.33 1.82 -1.09 0.78 -4.95 121.20 123.60 1xjj s ILE 599 Ca 0.28 -0.82 -0.28 0.00 -2.23 0.00 0.00 60.65 57.60 1xjj s ILE 599 Cb -0.16 -4.62 -0.09 0.00 -1.58 0.00 0.00 42.46 36.01 1xjj s ILE 599 CO 0.12 -1.33 1.12 0.20 -1.23 0.00 0.00 174.94 173.82 1xjj s ASN 600 N 3.62 7.00 0.03 3.58 -0.87 -1.26 -2.02 114.94 125.02 1xjj s ASN 600 Ca 0.19 2.28 0.04 0.00 -1.57 0.00 0.00 52.86 53.80 1xjj s ASN 600 Cb -0.18 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.41 1xjj s ASN 600 CO 0.06 -0.34 -0.12 -0.04 -2.57 0.00 0.00 177.10 174.09 1xjj s MET 601 N -1.82 0.83 0.66 -0.60 -1.94 -0.19 -4.06 119.30 112.18 1xjj s MET 601 Ca 0.50 -0.67 -0.16 0.00 -1.71 0.00 0.00 55.69 53.64 1xjj s MET 601 Cb -0.31 -0.80 0.00 0.00 2.01 0.00 0.00 34.83 35.73 1xjj s MET 601 CO 0.39 0.20 1.18 -1.25 -0.01 0.00 0.00 175.02 175.53 1xjj s PRO 602 N -1.03 2.63 0.55 2.03 0.04 -1.26 -0.83 135.00 137.14 1xjj s PRO 602 Ca 0.00 1.69 0.28 0.00 0.04 0.00 0.00 61.00 63.01 1xjj s PRO 602 Cb -0.07 -1.90 1.46 0.00 0.04 0.00 0.00 34.50 34.02 1xjj s PRO 602 CO 0.01 -1.44 1.94 0.37 0.04 0.00 0.00 177.00 177.92 1xjj h GLN 603 N 0.25 0.00 -0.01 4.56 4.15 -1.91 -0.16 115.11 121.98 1xjj h GLN 603 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xjj h GLN 603 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 1xjj h GLN 603 CO 0.53 0.00 -0.01 -1.13 -1.93 0.00 0.00 178.83 176.29 1xjj n SER 604 N -4.13 1.05 -4.75 -0.69 3.41 -1.26 -4.84 113.62 102.41 1xjj n SER 604 Ca 0.11 -1.33 -0.39 0.00 -0.26 0.00 0.00 58.87 57.01 1xjj n SER 604 Cb 0.71 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.70 1xjj n SER 604 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjj s ALA 605 N -2.02 2.92 0.41 7.33 0.00 -0.07 -5.05 121.76 125.28 1xjj s ALA 605 Ca 0.40 1.36 0.08 0.00 0.00 0.00 0.00 51.96 53.81 1xjj s ALA 605 Cb 0.21 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1xjj s ALA 605 CO 0.35 -1.33 0.51 0.95 0.00 0.00 0.00 175.76 176.24 1xjj s THR 606 N -1.28 2.98 0.24 0.00 -4.23 -1.26 -5.01 115.64 107.09 1xjj s THR 606 Ca 0.69 -1.10 -0.06 0.00 -1.18 0.00 0.00 61.69 60.05 1xjj s THR 606 Cb -0.41 -3.03 0.23 0.00 1.34 0.00 0.00 72.50 70.63 1xjj s THR 606 CO 0.50 -0.01 1.88 0.58 -0.54 0.00 0.00 174.62 177.02 1xjj h VAL 607 N 0.77 1.12 -0.65 2.29 2.07 -1.97 -2.18 116.25 117.70 1xjj h VAL 607 Ca -0.41 -0.38 0.12 0.00 0.82 0.00 0.00 66.70 66.85 1xjj h VAL 607 Cb 1.27 -0.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.88 1xjj h VAL 607 CO 0.49 0.20 0.22 0.44 0.02 0.00 0.00 177.57 178.94 1xjj h ASP 608 N 1.11 0.17 -0.90 0.57 3.32 -1.97 -0.42 116.42 118.30 1xjj h ASP 608 Ca 0.37 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.63 1xjj h ASP 608 Cb 0.06 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.64 1xjj h ASP 608 CO -0.14 0.08 0.58 0.44 -1.72 0.00 0.00 179.24 178.48 1xjj h ASP 609 N 0.37 0.77 -0.13 6.45 3.32 -1.80 -1.59 116.42 123.81 1xjj h ASP 609 Ca 0.35 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.38 1xjj h ASP 609 Cb 0.49 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1xjj h ASP 609 CO -0.37 0.44 -0.11 0.58 -1.72 0.00 0.00 179.24 178.06 1xjj h VAL 610 N 0.84 1.34 -0.80 -1.35 2.07 -0.71 -2.13 116.25 115.51 1xjj h VAL 610 Ca 0.43 -1.23 0.14 0.00 0.82 0.00 0.00 66.70 66.87 1xjj h VAL 610 Cb 0.50 1.86 -0.09 0.00 -1.52 0.00 0.00 31.29 32.04 1xjj h VAL 610 CO -0.19 0.36 0.37 -0.07 0.02 0.00 0.00 177.57 178.06 1xjj h LEU 611 N -0.07 0.42 -1.08 2.57 3.38 -0.90 -1.02 115.31 118.60 1xjj h LEU 611 Ca 0.02 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1xjj h LEU 611 Cb 0.61 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1xjj h LEU 611 CO 0.03 0.17 0.29 0.78 0.09 0.00 0.00 178.44 179.80 1xjj h ASN 612 N 0.54 0.85 -0.29 -0.43 2.35 -1.19 0.51 115.58 117.92 1xjj h ASN 612 Ca 0.44 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 56.08 1xjj h ASN 612 Cb 0.63 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1xjj h ASN 612 CO -0.37 0.74 0.16 0.58 -1.65 0.00 0.00 177.43 176.89 1xjj h VAL 613 N 0.93 1.13 -0.42 2.81 2.07 -0.54 -0.86 116.25 121.36 1xjj h VAL 613 Ca 0.22 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1xjj h VAL 613 Cb 0.14 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 1xjj h VAL 613 CO -0.02 0.13 0.28 1.88 0.02 0.00 0.00 177.57 179.85 1xjj h TYR 614 N 0.35 0.54 -0.60 1.57 0.05 -0.59 0.19 116.97 118.48 1xjj h TYR 614 Ca 0.10 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.89 1xjj h TYR 614 Cb 0.07 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 1xjj h TYR 614 CO -0.03 0.34 0.37 -0.07 -1.05 0.00 0.00 178.16 177.72 1xjj h LEU 615 N 0.57 0.71 -1.04 3.88 3.38 0.15 -1.30 115.31 121.65 1xjj h LEU 615 Ca 0.16 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1xjj h LEU 615 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1xjj h LEU 615 CO -0.03 0.54 -0.17 -0.08 0.09 0.00 0.00 178.44 178.79 1xjj h GLU 616 N 0.81 0.48 -0.93 1.13 4.57 -0.93 -2.37 114.58 117.34 1xjj h GLU 616 Ca 0.22 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1xjj h GLU 616 Cb -0.04 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1xjj h GLU 616 CO -0.04 0.64 0.56 0.00 -1.18 0.00 0.00 179.01 178.99 1xjj h ALA 617 N 1.38 1.23 0.00 2.92 0.00 -0.17 -0.38 119.26 124.25 1xjj h ALA 617 Ca 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xjj h ALA 617 Cb 0.55 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xjj h ALA 617 CO 0.04 0.66 -0.11 -0.07 0.00 0.00 0.00 179.25 179.76 1xjj h LEU 618 N 1.28 0.00 0.00 0.00 3.38 -0.72 -2.72 115.31 116.54 1xjj h LEU 618 Ca 0.33 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1xjj h LEU 618 Cb -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1xjj h LEU 618 CO -0.06 0.11 -1.54 0.54 0.09 0.00 0.00 178.44 177.58 1xjj n ARG 619 N -3.62 0.63 -0.46 1.13 1.74 -0.35 -4.69 116.66 111.03 1xjj n ARG 619 Ca -0.02 0.06 -0.04 0.00 -0.77 0.00 0.00 57.85 57.08 1xjj n ARG 619 Cb 0.23 -1.71 0.03 0.00 -1.02 0.00 0.00 32.46 29.98 1xjj n ARG 619 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1xjj n THR 620 N -2.64 0.00 -0.56 0.55 -2.24 -0.30 -5.00 114.28 104.09 1xjj n THR 620 Ca -0.08 -0.17 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1xjj n THR 620 Cb 0.71 -1.74 0.34 0.00 -2.10 0.00 0.00 70.33 67.54 1xjj n THR 620 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1xjj n ASN 621 N -3.08 4.87 -4.78 3.42 3.02 -1.26 -4.99 115.26 112.45 1xjj n ASN 621 Ca 0.02 -2.68 -0.33 0.00 -0.03 0.00 0.00 54.58 51.56 1xjj n ASN 621 Cb 0.08 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 38.65 1xjj n ASN 621 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xjj s VAL 622 N -2.31 3.45 -1.13 2.41 -7.23 -1.26 -4.87 120.40 109.47 1xjj s VAL 622 Ca 0.47 0.72 0.22 0.00 -1.81 0.00 0.00 61.98 61.57 1xjj s VAL 622 Cb 0.34 -3.24 -0.18 0.00 0.56 0.00 0.00 36.38 33.87 1xjj s VAL 622 CO 0.16 -0.38 0.97 0.54 -0.31 0.00 0.00 175.10 176.09 1xjj n ARG 623 N -2.08 0.15 -3.79 4.82 1.74 -1.26 -4.95 116.66 111.28 1xjj n ARG 623 Ca 0.10 -0.12 -0.01 0.00 -0.77 0.00 0.00 57.85 57.05 1xjj n ARG 623 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.47 1xjj n ARG 623 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xjj s GLY 624 N -2.94 -0.18 -0.02 -0.13 0.00 -1.26 -0.89 107.32 101.90 1xjj s GLY 624 Ca 0.10 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.99 1xjj s GLY 624 CO 0.82 1.76 -0.03 -0.42 0.00 0.00 0.00 173.10 175.23 1xjj s ILE 625 N -2.47 0.36 -0.07 0.90 -1.09 -0.34 -4.98 121.20 113.50 1xjj s ILE 625 Ca 0.19 -0.08 0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1xjj s ILE 625 Cb 0.00 -0.38 0.01 0.00 -1.58 0.00 0.00 42.46 40.51 1xjj s ILE 625 CO 0.01 0.16 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.80 1xjj s THR 626 N 0.58 1.55 0.06 2.92 2.01 -1.26 -1.38 115.64 120.13 1xjj s THR 626 Ca -0.06 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.28 1xjj s THR 626 Cb -0.10 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1xjj s THR 626 CO -0.01 0.45 -0.21 0.68 -0.69 0.00 0.00 174.62 174.84 1xjj s VAL 627 N 0.42 2.59 -0.08 3.82 -7.23 -1.26 -0.15 120.40 118.51 1xjj s VAL 627 Ca -0.14 -1.35 -0.02 0.00 -1.81 0.00 0.00 61.98 58.65 1xjj s VAL 627 Cb -0.16 -2.10 0.04 0.00 0.56 0.00 0.00 36.38 34.72 1xjj s VAL 627 CO 0.05 0.28 0.04 -0.47 -0.31 0.00 0.00 175.10 174.70 1xjj s TYR 628 N -0.95 0.33 -0.19 2.82 5.04 -0.86 -4.52 117.35 119.02 1xjj s TYR 628 Ca 0.14 -0.02 -0.17 0.00 -2.44 0.00 0.00 57.07 54.58 1xjj s TYR 628 Cb -0.10 -0.64 -0.04 0.00 0.35 0.00 0.00 41.96 41.52 1xjj s TYR 628 CO 0.05 -0.30 0.44 0.50 -1.34 0.00 0.00 175.55 174.90 1xjj s ARG 629 N 2.08 4.20 0.26 4.97 3.52 -1.26 -1.02 118.95 131.69 1xjj s ARG 629 Ca 0.04 0.29 -0.31 0.00 -0.13 0.00 0.00 55.73 55.62 1xjj s ARG 629 Cb -0.13 -3.53 -0.13 0.00 -1.56 0.00 0.00 34.95 29.60 1xjj s ARG 629 CO -0.05 -0.04 1.51 -3.47 -0.81 0.00 0.00 175.30 172.44 1xjj n ASP 630 N 4.45 3.27 0.00 -2.12 4.64 -0.01 -1.56 116.55 125.22 1xjj n ASP 630 Ca -0.07 1.14 0.00 0.00 -1.38 0.00 0.00 54.79 54.47 1xjj n ASP 630 Cb 0.51 -1.50 0.00 0.00 -1.04 0.00 0.00 41.12 39.09 1xjj n ASP 630 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xjj n GLY 631 N 2.31 1.46 0.18 0.27 0.00 -1.26 -3.82 105.19 104.32 1xjj n GLY 631 Ca 0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.94 1xjj n GLY 631 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xjj h SER 632 N 0.00 0.79 -0.03 1.61 4.64 -1.59 -3.52 113.55 115.46 1xjj h SER 632 Ca 0.00 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.66 1xjj h SER 632 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1xjj h SER 632 CO 0.00 1.46 0.00 0.18 -0.87 0.00 0.00 176.83 177.60