#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xjw s ASN 2 N 0.00 6.16 0.34 0.00 2.20 0.93 -4.95 114.94 119.61 1xjw s ASN 2 Ca 0.00 1.18 0.11 0.00 -0.94 0.00 0.00 52.86 53.21 1xjw s ASN 2 Cb 0.00 -2.31 0.91 0.00 -2.00 0.00 0.00 41.25 37.85 1xjw s ASN 2 CO 0.00 -0.80 1.76 -0.65 -2.94 0.00 0.00 177.10 174.47 1xjw h PRO 3 N -0.13 0.56 -0.00 3.55 0.11 -1.93 -1.90 132.00 132.25 1xjw h PRO 3 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xjw h PRO 3 Cb 1.20 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1xjw h PRO 3 CO 0.62 0.37 -0.29 1.28 -0.21 0.00 0.00 178.00 179.77 1xjw n LEU 4 N -4.77 0.63 -4.69 2.35 4.77 -1.26 -4.82 117.00 109.21 1xjw n LEU 4 Ca 0.25 -0.05 -0.56 0.00 -0.03 0.00 0.00 56.01 55.62 1xjw n LEU 4 Cb 0.73 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.54 1xjw n LEU 4 CO 0.21 0.13 1.38 0.00 -1.33 0.00 0.00 177.39 177.77 1xjw n TYR 5 N -1.09 2.07 -0.89 -1.77 9.36 -0.72 -0.83 117.16 123.29 1xjw n TYR 5 Ca 0.10 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.77 1xjw n TYR 5 Cb 0.33 -2.49 0.00 0.00 -0.63 0.00 0.00 39.34 36.55 1xjw n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1xjw n GLN 6 N 5.72 -0.97 -1.82 2.98 1.13 0.46 -4.96 117.38 119.91 1xjw n GLN 6 Ca 0.27 0.24 -0.32 0.00 -1.94 0.00 0.00 57.00 55.26 1xjw n GLN 6 Cb 0.15 -4.26 0.02 0.00 0.11 0.00 0.00 30.24 26.27 1xjw n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1xjw s LYS 7 N -1.19 3.25 -0.01 -1.09 -0.14 -0.01 -4.67 119.74 115.87 1xjw s LYS 7 Ca 0.00 0.98 -0.16 0.00 -1.36 0.00 0.00 55.97 55.43 1xjw s LYS 7 Cb 0.00 -2.03 -0.06 0.00 -1.68 0.00 0.00 37.83 34.06 1xjw s LYS 7 CO 0.00 -0.85 0.44 -1.01 -0.76 0.00 0.00 175.35 173.17 1xjw s HIS 8 N -2.89 3.70 -0.63 3.18 3.76 -1.26 -4.62 115.29 116.54 1xjw s HIS 8 Ca 0.59 1.01 -0.07 0.00 -0.15 0.00 0.00 55.06 56.44 1xjw s HIS 8 Cb -0.13 -2.36 0.16 0.00 1.11 0.00 0.00 32.58 31.36 1xjw s HIS 8 CO 0.48 0.56 0.49 0.42 -0.85 0.00 0.00 174.74 175.83 1xjw s ILE 9 N -0.79 4.30 -0.15 0.60 -1.09 -0.57 -4.87 121.20 118.64 1xjw s ILE 9 Ca 0.25 -2.49 -0.10 0.00 -2.23 0.00 0.00 60.65 56.08 1xjw s ILE 9 Cb -0.17 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.88 1xjw s ILE 9 CO 0.14 -0.88 -0.22 -0.38 -1.23 0.00 0.00 174.94 172.36 1xjw n ILE 10 N 4.03 1.09 -4.19 2.92 2.08 -1.26 -0.01 119.36 124.03 1xjw n ILE 10 Ca 0.05 -0.10 -0.17 0.00 0.56 0.00 0.00 62.75 63.08 1xjw n ILE 10 Cb 0.41 -1.84 -0.15 0.00 -0.75 0.00 0.00 39.64 37.32 1xjw n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1xjw s SER 11 N -6.39 0.75 0.57 4.38 0.15 -1.26 -4.67 113.70 107.23 1xjw s SER 11 Ca -0.23 -0.11 0.27 0.00 0.70 0.00 0.00 55.95 56.59 1xjw s SER 11 Cb 0.07 -0.17 1.56 0.00 -1.71 0.00 0.00 66.02 65.78 1xjw s SER 11 CO 0.30 0.04 2.05 0.40 1.20 0.00 0.00 173.24 177.23 1xjw h ILE 12 N 5.31 0.53 0.00 6.45 1.08 -1.94 0.10 117.51 129.05 1xjw h ILE 12 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.15 1xjw h ILE 12 Cb 1.18 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1xjw h ILE 12 CO 0.49 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 174.75 1xjw n ASN 13 N -3.93 0.37 -0.37 1.72 2.85 -1.26 -1.57 115.26 113.06 1xjw n ASN 13 Ca 0.04 0.64 0.10 0.00 -0.11 0.00 0.00 54.58 55.25 1xjw n ASN 13 Cb 0.42 -0.70 -0.03 0.00 1.24 0.00 0.00 39.78 40.71 1xjw n ASN 13 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1xjw n ASP 14 N -1.95 1.73 -4.92 1.20 8.00 0.36 -4.94 116.55 116.03 1xjw n ASP 14 Ca 0.01 -1.37 -0.31 0.00 0.71 0.00 0.00 54.79 53.82 1xjw n ASP 14 Cb 0.09 0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 41.74 1xjw n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xjw s LEU 15 N -2.51 4.36 0.63 0.64 1.43 -0.61 -5.07 118.68 117.55 1xjw s LEU 15 Ca 0.15 0.30 0.07 0.00 -1.03 0.00 0.00 54.13 53.62 1xjw s LEU 15 Cb 0.17 -2.93 0.11 0.00 0.03 0.00 0.00 46.19 43.57 1xjw s LEU 15 CO 0.60 0.18 0.87 -0.94 0.23 0.00 0.00 176.35 177.29 1xjw s SER 16 N -2.42 4.81 0.26 2.29 1.04 -1.26 -4.96 113.70 113.46 1xjw s SER 16 Ca 0.34 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1xjw s SER 16 Cb -0.13 0.28 0.34 0.00 0.10 0.00 0.00 66.02 66.61 1xjw s SER 16 CO 0.26 -1.55 1.74 -0.09 0.98 0.00 0.00 173.24 174.58 1xjw h ARG 17 N -0.07 0.72 -0.13 4.02 2.43 -1.97 -2.45 114.38 116.92 1xjw h ARG 17 Ca -0.31 -0.22 -0.17 0.00 -0.81 0.00 0.00 59.98 58.47 1xjw h ARG 17 Cb 1.28 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1xjw h ARG 17 CO 0.40 0.79 -0.62 -0.44 -1.51 0.00 0.00 179.97 178.58 1xjw h ASP 18 N 0.66 0.54 -0.35 -3.80 3.32 -1.97 -1.47 116.42 113.34 1xjw h ASP 18 Ca 0.12 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 1xjw h ASP 18 Cb 0.53 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.91 1xjw h ASP 18 CO 0.03 1.03 0.16 0.44 -1.72 0.00 0.00 179.24 179.17 1xjw h ASP 19 N 0.35 0.47 -0.26 6.45 3.32 -1.89 0.21 116.42 125.07 1xjw h ASP 19 Ca -0.01 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1xjw h ASP 19 Cb 1.17 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 1xjw h ASP 19 CO 0.11 0.48 0.16 -0.07 -1.72 0.00 0.00 179.24 178.21 1xjw h LEU 20 N 0.43 0.30 -1.61 1.55 3.38 -1.37 -2.01 115.31 115.98 1xjw h LEU 20 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xjw h LEU 20 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xjw h LEU 20 CO -0.01 0.24 0.23 0.78 0.09 0.00 0.00 178.44 179.77 1xjw h ASN 21 N 0.34 0.43 -0.40 -0.43 -0.26 -0.96 -2.03 115.58 112.26 1xjw h ASN 21 Ca 0.09 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.73 1xjw h ASN 21 Cb -0.02 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 1xjw h ASN 21 CO -0.02 0.33 -0.07 0.25 -1.06 0.00 0.00 177.43 176.86 1xjw h LEU 22 N 0.51 0.82 -0.45 1.61 5.85 -0.24 -1.61 115.31 121.79 1xjw h LEU 22 Ca 0.14 -0.23 -0.16 0.00 0.84 0.00 0.00 57.88 58.47 1xjw h LEU 22 Cb -0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 1xjw h LEU 22 CO -0.03 0.92 -0.40 0.58 -0.34 0.00 0.00 178.44 179.18 1xjw h VAL 23 N 0.76 1.28 -0.41 1.05 2.07 -0.91 -2.24 116.25 117.85 1xjw h VAL 23 Ca 0.13 -1.57 -0.11 0.00 0.82 0.00 0.00 66.70 65.97 1xjw h VAL 23 Cb 0.56 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 1xjw h VAL 23 CO 0.03 0.52 -0.18 -0.07 0.02 0.00 0.00 177.57 177.89 1xjw h LEU 24 N 0.70 0.88 -0.12 2.57 3.38 -1.26 0.14 115.31 121.60 1xjw h LEU 24 Ca 0.06 -0.40 -0.00 0.00 0.09 0.00 0.00 57.88 57.63 1xjw h LEU 24 Cb 0.97 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1xjw h LEU 24 CO 0.09 1.08 0.07 0.00 0.09 0.00 0.00 178.44 179.77 1xjw h ALA 25 N 0.83 0.15 -0.41 1.53 0.00 -1.29 -0.90 119.26 119.17 1xjw h ALA 25 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xjw h ALA 25 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1xjw h ALA 25 CO 0.06 -0.33 0.25 1.15 0.00 0.00 0.00 179.25 180.38 1xjw h THR 26 N 0.11 1.13 -0.91 0.00 2.02 -1.35 -1.84 112.91 112.07 1xjw h THR 26 Ca 0.04 -0.30 0.11 0.00 0.77 0.00 0.00 66.41 67.03 1xjw h THR 26 Cb 0.05 0.59 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 1xjw h THR 26 CO -0.01 0.13 0.55 0.00 0.37 0.00 0.00 175.52 176.56 1xjw h ALA 27 N 1.11 1.33 -0.60 6.16 0.00 -0.74 -0.14 119.26 126.39 1xjw h ALA 27 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.10 1xjw h ALA 27 Cb -0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1xjw h ALA 27 CO -0.03 0.16 0.38 0.00 0.00 0.00 0.00 179.25 179.76 1xjw h ALA 28 N 1.50 0.76 -0.10 0.00 0.00 -0.37 -1.42 119.26 119.63 1xjw h ALA 28 Ca 0.44 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 1xjw h ALA 28 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xjw h ALA 28 CO -0.26 0.15 -0.03 0.87 0.00 0.00 0.00 179.25 179.98 1xjw h LYS 29 N 0.77 0.20 -0.16 0.00 1.57 -0.51 -3.05 116.57 115.38 1xjw h LYS 29 Ca 0.23 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1xjw h LYS 29 Cb -0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1xjw h LYS 29 CO -0.07 0.53 -0.04 -0.07 -0.57 0.00 0.00 179.45 179.23 1xjw h LEU 30 N -0.14 0.22 -1.65 2.94 3.38 -1.02 1.13 115.31 120.17 1xjw h LEU 30 Ca 0.02 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xjw h LEU 30 Cb 0.46 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xjw h LEU 30 CO 0.01 0.30 -0.17 0.50 0.09 0.00 0.00 178.44 179.17 1xjw h LYS 31 N 0.24 0.00 0.00 1.13 3.64 -1.20 -3.12 116.57 117.26 1xjw h LYS 31 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1xjw h LYS 31 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xjw h LYS 31 CO 0.01 0.17 -1.15 0.00 -2.27 0.00 0.00 179.45 176.21 1xjw n ALA 32 N -2.27 2.50 -3.38 5.00 0.00 -0.66 -4.86 120.51 116.85 1xjw n ALA 32 Ca -0.01 -0.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.95 1xjw n ALA 32 Cb 0.30 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1xjw n ALA 32 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1xjw n ASN 33 N -1.65 0.05 -4.53 0.00 5.15 0.38 -5.09 115.26 109.56 1xjw n ASN 33 Ca -0.01 -2.54 -0.44 0.00 -0.60 0.00 0.00 54.58 50.99 1xjw n ASN 33 Cb 0.20 -0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 38.85 1xjw n ASN 33 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1xjw n PRO 34 N 2.35 0.98 -3.29 1.20 -0.02 -1.20 -4.42 135.00 130.60 1xjw n PRO 34 Ca 0.27 0.35 -0.26 0.00 -2.02 0.00 0.00 63.50 61.83 1xjw n PRO 34 Cb 0.48 -1.67 -0.07 0.00 -0.02 0.00 0.00 33.50 32.22 1xjw n PRO 34 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xjw n GLN 35 N 0.65 2.35 0.27 -0.52 1.13 -1.26 -4.98 117.38 115.03 1xjw n GLN 35 Ca 0.11 -4.46 0.08 0.00 -1.94 0.00 0.00 57.00 50.79 1xjw n GLN 35 Cb 0.34 -2.09 0.31 0.00 0.11 0.00 0.00 30.24 28.91 1xjw n GLN 35 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1xjw h PRO 36 N 3.88 0.00 0.00 -1.09 0.13 -1.89 -1.52 132.00 131.51 1xjw h PRO 36 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1xjw h PRO 36 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xjw h PRO 36 CO 0.77 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.93 1xjw n GLU 37 N -2.73 0.90 -0.51 0.86 4.71 -1.26 -2.71 120.64 119.90 1xjw n GLU 37 Ca 0.02 -0.91 0.44 0.00 -0.01 0.00 0.00 57.16 56.70 1xjw n GLU 37 Cb 0.85 -0.93 0.78 0.00 -1.01 0.00 0.00 31.44 31.13 1xjw n GLU 37 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 1xjw h LEU 38 N 0.00 0.02 -3.20 -4.62 5.85 -1.26 -0.31 115.31 111.78 1xjw h LEU 38 Ca 0.00 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.61 1xjw h LEU 38 Cb 0.32 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 41.21 1xjw h LEU 38 CO 0.00 -0.01 -0.66 0.18 -0.34 0.00 0.00 178.44 177.61 1xjw n LEU 39 N -4.09 2.69 -4.74 2.25 4.77 0.31 -5.01 117.00 113.19 1xjw n LEU 39 Ca 0.35 -3.67 -0.42 0.00 -0.03 0.00 0.00 56.01 52.24 1xjw n LEU 39 Cb 1.62 -0.37 -0.02 0.00 -2.33 0.00 0.00 43.42 42.31 1xjw n LEU 39 CO 0.42 1.34 1.25 -0.75 -1.33 0.00 0.00 177.39 178.31 1xjw s LYS 40 N -2.76 4.16 0.00 3.23 2.20 -0.13 -2.38 119.74 124.07 1xjw s LYS 40 Ca 0.39 2.50 0.00 0.00 -0.36 0.00 0.00 55.97 58.50 1xjw s LYS 40 Cb 0.38 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.62 1xjw s LYS 40 CO -0.07 -0.62 0.00 0.72 -0.36 0.00 0.00 175.35 175.02 1xjw n HIS 41 N 2.93 0.00 -3.79 4.03 8.25 -1.26 -5.01 115.22 120.37 1xjw n HIS 41 Ca 0.11 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.25 1xjw n HIS 41 Cb 0.38 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 1xjw n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1xjw s LYS 42 N -0.34 3.54 -0.11 -0.41 -0.14 -1.00 -5.00 119.74 116.28 1xjw s LYS 42 Ca 0.00 -0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.40 1xjw s LYS 42 Cb 0.00 -2.97 0.02 0.00 -1.68 0.00 0.00 37.83 33.20 1xjw s LYS 42 CO 0.00 0.56 -0.14 0.08 -0.76 0.00 0.00 175.35 175.08 1xjw s VAL 43 N -1.53 1.44 -0.06 3.17 1.01 -1.26 -0.87 120.40 122.29 1xjw s VAL 43 Ca 0.36 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1xjw s VAL 43 Cb -0.13 -1.33 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1xjw s VAL 43 CO 0.24 0.43 -0.18 -0.63 0.00 0.00 0.00 175.10 174.96 1xjw s ILE 44 N 1.04 2.70 -0.21 2.22 1.01 0.11 -0.93 121.20 127.14 1xjw s ILE 44 Ca -0.06 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 1xjw s ILE 44 Cb -0.15 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.25 1xjw s ILE 44 CO -0.02 0.57 0.53 0.00 0.00 0.00 0.00 174.94 176.02 1xjw s ALA 45 N -0.37 3.55 -0.53 9.38 0.00 -0.86 -0.98 121.76 131.95 1xjw s ALA 45 Ca 0.03 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.47 1xjw s ALA 45 Cb -0.12 -2.85 0.13 0.00 0.00 0.00 0.00 23.12 20.29 1xjw s ALA 45 CO 0.02 -0.50 0.42 0.45 0.00 0.00 0.00 175.76 176.15 1xjw s SER 46 N 1.22 5.86 -0.47 0.00 0.15 0.14 -1.05 113.70 119.54 1xjw s SER 46 Ca 0.24 -2.05 -0.06 0.00 0.70 0.00 0.00 55.95 54.79 1xjw s SER 46 Cb -0.15 -2.05 0.12 0.00 -1.71 0.00 0.00 66.02 62.23 1xjw s SER 46 CO 0.10 -0.69 0.30 0.00 1.20 0.00 0.00 173.24 174.15 1xjw s PHE 48 N 1.06 3.23 -1.17 0.00 0.40 -0.73 -1.98 117.98 118.80 1xjw s PHE 48 Ca 0.08 -1.03 0.14 0.00 -0.60 0.00 0.00 56.93 55.52 1xjw s PHE 48 Cb -0.24 -2.38 0.56 0.00 0.51 0.00 0.00 43.02 41.47 1xjw s PHE 48 CO -0.03 -0.64 1.42 1.19 0.70 0.00 0.00 175.22 177.86 1xjw n PHE 49 N 4.94 1.18 -3.64 0.36 3.01 0.19 -3.35 117.46 120.17 1xjw n PHE 49 Ca -0.12 -0.46 -0.14 0.00 1.01 0.00 0.00 57.45 57.73 1xjw n PHE 49 Cb 0.46 -0.22 -0.07 0.00 -0.01 0.00 0.00 39.48 39.65 1xjw n PHE 49 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 1xjw s GLU 50 N -1.82 0.92 0.63 -1.08 2.12 -1.26 -4.54 118.70 113.67 1xjw s GLU 50 Ca 0.39 -0.16 -0.17 0.00 0.36 0.00 0.00 54.97 55.38 1xjw s GLU 50 Cb 0.26 0.42 -0.05 0.00 0.26 0.00 0.00 34.13 35.01 1xjw s GLU 50 CO 0.18 -0.30 0.71 0.00 -0.54 0.00 0.00 175.26 175.31 1xjw n ALA 51 N 0.75 -0.70 -3.63 6.30 0.00 -1.26 -4.97 120.51 116.99 1xjw n ALA 51 Ca -0.19 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 1xjw n ALA 51 Cb 0.58 -1.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.03 1xjw n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xjw s SER 52 N -1.31 -0.17 0.13 0.00 0.15 -1.26 -5.06 113.70 106.19 1xjw s SER 52 Ca 0.71 0.25 0.00 0.00 0.70 0.00 0.00 55.95 57.61 1xjw s SER 52 Cb -0.41 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.14 1xjw s SER 52 CO 0.52 -0.11 0.00 0.41 1.20 0.00 0.00 173.24 175.26 1xjw n THR 53 N 1.15 0.68 0.36 6.45 -1.04 -1.26 -4.76 114.28 115.87 1xjw n THR 53 Ca -0.07 0.23 -0.14 0.00 -2.04 0.00 0.00 64.05 62.02 1xjw n THR 53 Cb 0.58 -1.14 -0.07 0.00 -1.82 0.00 0.00 70.33 67.88 1xjw n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1xjw h ARG 54 N 0.00 -0.90 -0.14 -2.82 3.08 -1.97 -2.32 114.38 109.31 1xjw h ARG 54 Ca 0.00 0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.16 1xjw h ARG 54 Cb 0.00 0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1xjw h ARG 54 CO 0.00 -0.60 -0.31 1.15 -1.07 0.00 0.00 179.97 179.14 1xjw h THR 55 N -1.03 0.30 0.62 2.04 2.02 -1.98 0.59 112.91 115.47 1xjw h THR 55 Ca -0.09 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1xjw h THR 55 Cb 0.71 0.30 0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1xjw h THR 55 CO 0.16 0.00 -0.30 -0.09 0.37 0.00 0.00 175.52 175.66 1xjw h ARG 56 N -0.38 -0.80 -0.75 6.66 2.43 -1.86 -1.67 114.38 118.01 1xjw h ARG 56 Ca 0.10 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1xjw h ARG 56 Cb 0.54 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 1xjw h ARG 56 CO -0.36 -0.49 0.47 -0.07 -1.51 0.00 0.00 179.97 178.01 1xjw h LEU 57 N -0.99 0.76 -0.72 3.80 3.38 -1.30 0.37 115.31 120.62 1xjw h LEU 57 Ca -0.08 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 1xjw h LEU 57 Cb 0.68 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1xjw h LEU 57 CO 0.14 0.52 0.02 0.77 0.09 0.00 0.00 178.44 179.98 1xjw h SER 58 N 0.91 0.97 -0.20 -0.43 4.64 0.16 -0.38 113.55 119.22 1xjw h SER 58 Ca 0.31 -0.26 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1xjw h SER 58 Cb 0.05 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.87 1xjw h SER 58 CO -0.12 1.01 0.04 -0.26 -0.87 0.00 0.00 176.83 176.62 1xjw h PHE 59 N 0.92 0.35 0.00 4.77 0.04 -0.51 -0.44 116.94 122.07 1xjw h PHE 59 Ca 0.17 -0.05 -0.10 0.00 2.80 0.00 0.00 57.97 60.80 1xjw h PHE 59 Cb 0.51 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 1xjw h PHE 59 CO 0.03 0.47 -0.46 0.93 -0.60 0.00 0.00 178.31 178.68 1xjw h GLU 60 N 0.13 0.00 -0.35 1.51 5.08 -0.88 -2.05 114.58 118.02 1xjw h GLU 60 Ca 0.06 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 1xjw h GLU 60 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xjw h GLU 60 CO 0.00 0.46 -0.26 1.15 -1.00 0.00 0.00 179.01 179.36 1xjw h THR 61 N 0.00 1.29 -0.40 1.13 2.02 -0.83 -2.38 112.91 113.73 1xjw h THR 61 Ca -0.00 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.74 1xjw h THR 61 Cb 0.83 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.64 1xjw h THR 61 CO 0.06 0.46 0.13 0.28 0.37 0.00 0.00 175.52 176.83 1xjw h SER 62 N 0.58 0.53 -0.57 4.18 0.02 -0.77 0.11 113.55 117.63 1xjw h SER 62 Ca 0.07 -0.06 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1xjw h SER 62 Cb 0.82 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1xjw h SER 62 CO 0.07 0.50 -0.01 0.24 -1.14 0.00 0.00 176.83 176.49 1xjw h MET 63 N 0.58 1.01 -0.18 3.45 2.07 -1.10 -2.16 114.93 118.60 1xjw h MET 63 Ca 0.14 -0.33 -0.19 0.00 -2.07 0.00 0.00 59.70 57.26 1xjw h MET 63 Cb 0.16 -0.09 0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1xjw h MET 63 CO -0.01 1.01 -0.61 0.45 1.07 0.00 0.00 176.91 178.82 1xjw h HIS 64 N 0.89 0.96 -0.85 -0.22 3.86 -0.92 0.37 115.15 119.25 1xjw h HIS 64 Ca 0.16 -0.39 0.12 0.00 -1.16 0.00 0.00 60.37 59.09 1xjw h HIS 64 Cb 0.56 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.81 1xjw h HIS 64 CO 0.04 1.21 0.55 0.00 0.86 0.00 0.00 177.93 180.59 1xjw h ARG 65 N 0.45 0.70 -0.37 2.45 2.47 -0.89 0.17 114.38 119.36 1xjw h ARG 65 Ca -0.02 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1xjw h ARG 65 Cb 1.23 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 1xjw h ARG 65 CO 0.13 0.47 0.00 1.28 0.56 0.00 0.00 179.97 182.40 1xjw n LEU 66 N -4.53 2.02 -0.17 3.04 4.77 -0.82 -3.98 117.00 117.33 1xjw n LEU 66 Ca 0.15 -1.01 -0.02 0.00 -0.03 0.00 0.00 56.01 55.11 1xjw n LEU 66 Cb 0.39 -0.25 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 1xjw n LEU 66 CO 0.31 0.50 -0.02 0.61 -1.33 0.00 0.00 177.39 177.46 1xjw n GLY 67 N 1.10 0.56 3.95 -0.72 0.00 0.58 -0.53 105.19 110.14 1xjw n GLY 67 Ca 0.13 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 1xjw n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjw s ALA 68 N -2.03 3.66 -0.01 4.61 0.00 0.13 -3.82 121.76 124.29 1xjw s ALA 68 Ca 0.00 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.90 1xjw s ALA 68 Cb 0.00 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.83 1xjw s ALA 68 CO 0.00 -0.66 0.08 -1.12 0.00 0.00 0.00 175.76 174.06 1xjw s SER 69 N -4.33 5.70 -0.00 0.00 0.01 -0.05 -4.25 113.70 110.78 1xjw s SER 69 Ca 0.53 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.99 1xjw s SER 69 Cb -0.10 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 1xjw s SER 69 CO 0.40 0.28 -0.09 -0.69 0.41 0.00 0.00 173.24 173.55 1xjw s VAL 70 N -1.18 3.46 0.01 3.43 1.01 -1.26 -0.71 120.40 125.15 1xjw s VAL 70 Ca 0.22 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1xjw s VAL 70 Cb -0.12 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 1xjw s VAL 70 CO 0.13 0.42 0.11 0.54 0.00 0.00 0.00 175.10 176.30 1xjw s VAL 71 N -0.94 0.09 -5.00 2.92 0.11 -0.15 -4.92 120.40 112.52 1xjw s VAL 71 Ca 0.16 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 1xjw s VAL 71 Cb -0.11 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 1xjw s VAL 71 CO 0.06 -0.43 0.00 0.61 -3.33 0.00 0.00 175.10 172.01 1xjw n GLY 72 N 1.37 0.11 3.24 6.54 0.00 -1.26 0.27 105.19 115.46 1xjw n GLY 72 Ca -0.22 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 1xjw n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xjw s PHE 73 N -3.23 -0.34 -2.85 1.61 -0.12 -0.96 -4.98 117.98 107.13 1xjw s PHE 73 Ca 0.00 0.79 0.23 0.00 -0.05 0.00 0.00 56.93 57.90 1xjw s PHE 73 Cb 0.00 0.13 0.20 0.00 -0.63 0.00 0.00 43.02 42.72 1xjw s PHE 73 CO 0.00 -0.24 1.25 -1.13 -0.05 0.00 0.00 175.22 175.05 1xjw n SER 74 N 2.50 2.97 -3.67 1.98 3.41 -1.26 -1.77 113.62 117.79 1xjw n SER 74 Ca -0.15 -1.97 -0.09 0.00 -0.26 0.00 0.00 58.87 56.41 1xjw n SER 74 Cb 0.57 -0.02 -0.10 0.00 -0.26 0.00 0.00 64.21 64.40 1xjw n SER 74 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xjw s ASP 75 N -1.88 -0.32 0.00 4.04 2.15 -1.21 -4.66 116.67 114.79 1xjw s ASP 75 Ca 0.28 0.98 0.20 0.00 0.43 0.00 0.00 52.55 54.44 1xjw s ASP 75 Cb 0.20 1.23 1.11 0.00 -0.30 0.00 0.00 42.92 45.15 1xjw s ASP 75 CO 0.29 -0.22 1.58 -1.54 -0.17 0.00 0.00 175.17 175.11 1xjw n SER 76 N 5.13 0.00 0.28 -0.34 3.41 -1.26 -3.52 113.62 117.33 1xjw n SER 76 Ca -0.12 -0.39 0.14 0.00 -0.26 0.00 0.00 58.87 58.23 1xjw n SER 76 Cb 0.51 -0.10 0.84 0.00 -0.26 0.00 0.00 64.21 65.19 1xjw n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xjw h ALA 77 N 3.12 1.49 -0.17 7.33 0.00 -1.95 -2.85 119.26 126.23 1xjw h ALA 77 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1xjw h ALA 77 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xjw h ALA 77 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1xjw n ASN 78 N -3.84 2.61 -4.53 0.00 3.02 -1.23 -4.38 115.26 106.91 1xjw n ASN 78 Ca -0.03 -2.19 -0.26 0.00 -0.03 0.00 0.00 54.58 52.07 1xjw n ASN 78 Cb 0.13 -0.19 0.13 0.00 -0.61 0.00 0.00 39.78 39.24 1xjw n ASN 78 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xjw s THR 79 N -1.33 2.12 -0.99 3.41 -4.23 -1.08 -4.92 115.64 108.62 1xjw s THR 79 Ca 0.17 -0.34 0.27 0.00 -1.18 0.00 0.00 61.69 60.61 1xjw s THR 79 Cb 0.11 -2.78 0.12 0.00 1.34 0.00 0.00 72.50 71.29 1xjw s THR 79 CO 0.08 0.00 1.67 -1.20 -0.54 0.00 0.00 174.62 174.63 1xjw n SER 80 N -3.16 0.27 0.14 3.99 7.64 -1.26 -2.42 113.62 118.82 1xjw n SER 80 Ca 0.14 0.13 0.02 0.00 1.01 0.00 0.00 58.87 60.17 1xjw n SER 80 Cb 0.60 -0.13 0.11 0.00 -1.01 0.00 0.00 64.21 63.78 1xjw n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1xjw h LEU 81 N 0.00 0.00 0.15 -3.43 6.46 -1.85 0.62 115.31 117.26 1xjw h LEU 81 Ca 0.00 0.00 -0.32 0.00 -0.12 0.00 0.00 57.88 57.44 1xjw h LEU 81 Cb 0.51 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 1xjw h LEU 81 CO 0.00 0.54 -1.63 1.23 -0.62 0.00 0.00 178.44 177.95 1xjw h GLY 82 N 2.91 0.36 0.00 3.75 0.00 -1.49 -3.35 103.07 105.25 1xjw h GLY 82 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1xjw h GLY 82 CO 0.07 0.81 -1.42 0.28 0.00 0.00 0.00 176.54 176.29 1xjw n LYS 83 N -3.73 0.84 0.00 4.80 4.76 -1.01 -4.63 118.16 119.19 1xjw n LYS 83 Ca -0.26 -0.10 0.04 0.00 -2.87 0.00 0.00 58.31 55.13 1xjw n LYS 83 Cb 1.00 -1.38 0.02 0.00 -1.84 0.00 0.00 35.03 32.83 1xjw n LYS 83 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xjw n LYS 84 N -1.83 1.07 -0.79 1.97 5.02 0.19 -5.01 118.16 118.78 1xjw n LYS 84 Ca -0.01 -0.82 0.00 0.00 -2.02 0.00 0.00 58.31 55.46 1xjw n LYS 84 Cb 0.39 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1xjw n LYS 84 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjw n GLY 85 N 0.63 0.58 3.77 0.72 0.00 -1.12 -4.99 105.19 104.78 1xjw n GLY 85 Ca 0.04 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 1xjw n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xjw s GLU 86 N -0.57 4.04 0.81 1.61 2.12 -1.19 -5.00 118.70 120.52 1xjw s GLU 86 Ca 0.00 2.24 -0.12 0.00 0.36 0.00 0.00 54.97 57.45 1xjw s GLU 86 Cb 0.00 -2.84 0.08 0.00 0.26 0.00 0.00 34.13 31.63 1xjw s GLU 86 CO 0.00 -0.46 1.12 0.95 -0.54 0.00 0.00 175.26 176.33 1xjw s THR 87 N -1.22 2.77 0.19 -1.70 -4.23 -1.26 -4.56 115.64 105.63 1xjw s THR 87 Ca 0.55 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.28 1xjw s THR 87 Cb -0.40 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.30 1xjw s THR 87 CO 0.52 -0.33 1.48 0.25 -0.54 0.00 0.00 174.62 176.00 1xjw h LEU 88 N -1.10 0.58 -0.35 4.79 5.85 -1.98 -2.76 115.31 120.34 1xjw h LEU 88 Ca -0.47 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 57.97 1xjw h LEU 88 Cb 1.29 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 1xjw h LEU 88 CO 0.62 1.05 0.06 0.00 -0.34 0.00 0.00 178.44 179.83 1xjw h ALA 89 N 0.95 0.37 -0.42 1.25 0.00 -1.95 -0.83 119.26 118.64 1xjw h ALA 89 Ca -0.01 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1xjw h ALA 89 Cb 1.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1xjw h ALA 89 CO 0.11 -0.34 -0.10 -0.44 0.00 0.00 0.00 179.25 178.47 1xjw h ASP 90 N 0.18 0.72 -0.08 0.00 5.19 -1.94 -0.19 116.42 120.30 1xjw h ASP 90 Ca 0.17 -0.21 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 1xjw h ASP 90 Cb 0.20 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1xjw h ASP 90 CO -0.23 0.85 0.05 0.74 -3.12 0.00 0.00 179.24 177.54 1xjw h THR 91 N 0.67 1.03 -0.25 0.35 2.02 -1.09 -2.39 112.91 113.25 1xjw h THR 91 Ca 0.12 -0.07 -0.10 0.00 0.77 0.00 0.00 66.41 67.13 1xjw h THR 91 Cb 0.56 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1xjw h THR 91 CO 0.03 0.03 -0.25 0.40 0.37 0.00 0.00 175.52 176.10 1xjw h ILE 92 N 0.10 1.27 -0.61 3.11 1.08 -1.01 -2.12 117.51 119.32 1xjw h ILE 92 Ca 0.03 -1.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 1xjw h ILE 92 Cb 0.00 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 1xjw h ILE 92 CO -0.01 0.40 0.35 0.28 -0.69 0.00 0.00 178.15 178.49 1xjw h SER 93 N 0.43 0.75 0.17 1.72 0.02 -0.68 -1.44 113.55 114.53 1xjw h SER 93 Ca 0.06 -0.08 -0.23 0.00 -0.84 0.00 0.00 61.79 60.70 1xjw h SER 93 Cb 0.67 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 63.05 1xjw h SER 93 CO 0.05 0.61 -1.03 -0.37 -1.14 0.00 0.00 176.83 174.95 1xjw h VAL 94 N 0.83 1.42 -0.90 2.27 -1.51 -1.40 -3.31 116.25 113.65 1xjw h VAL 94 Ca 0.22 -2.57 0.12 0.00 -1.23 0.00 0.00 66.70 63.24 1xjw h VAL 94 Cb 0.01 3.13 -0.07 0.00 -2.13 0.00 0.00 31.29 32.23 1xjw h VAL 94 CO -0.04 0.74 0.58 0.40 -1.23 0.00 0.00 177.57 178.02 1xjw h ILE 95 N -0.23 0.91 0.00 7.19 1.08 -1.38 0.21 117.51 125.29 1xjw h ILE 95 Ca -0.19 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.00 1xjw h ILE 95 Cb 1.79 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 1xjw h ILE 95 CO 0.18 0.15 0.00 -1.54 -0.69 0.00 0.00 178.15 176.25 1xjw n SER 96 N -4.55 0.00 -0.94 1.72 3.41 -0.55 -1.41 113.62 111.31 1xjw n SER 96 Ca 0.16 0.17 0.12 0.00 -0.26 0.00 0.00 58.87 59.06 1xjw n SER 96 Cb 0.37 -0.32 0.25 0.00 -0.26 0.00 0.00 64.21 64.25 1xjw n SER 96 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xjw n THR 97 N -1.32 0.30 -0.07 6.66 -2.24 0.73 -4.38 114.28 113.96 1xjw n THR 97 Ca 0.06 -0.57 -0.10 0.00 -2.27 0.00 0.00 64.05 61.17 1xjw n THR 97 Cb 0.11 0.92 -0.06 0.00 -2.10 0.00 0.00 70.33 69.20 1xjw n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1xjw n TYR 98 N 1.12 0.00 -3.79 4.78 4.01 -0.50 -5.09 117.16 117.69 1xjw n TYR 98 Ca 0.18 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.69 1xjw n TYR 98 Cb 0.53 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 39.01 1xjw n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1xjw s VAL 99 N -2.26 2.69 -0.16 -0.72 -7.23 -1.12 -4.96 120.40 106.64 1xjw s VAL 99 Ca -0.18 -1.47 0.21 0.00 -1.81 0.00 0.00 61.98 58.73 1xjw s VAL 99 Cb 0.05 -3.02 -0.12 0.00 0.56 0.00 0.00 36.38 33.85 1xjw s VAL 99 CO 0.29 -0.04 0.82 0.47 -0.31 0.00 0.00 175.10 176.34 1xjw n ASP 100 N -1.41 0.59 -3.51 4.85 8.00 -0.11 -4.89 116.55 120.07 1xjw n ASP 100 Ca 0.01 0.24 -0.12 0.00 0.71 0.00 0.00 54.79 55.63 1xjw n ASP 100 Cb 0.62 0.83 -0.03 0.00 -0.02 0.00 0.00 41.12 42.52 1xjw n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xjw s ALA 101 N -3.30 -1.37 -0.09 2.24 0.00 -1.25 -4.27 121.76 113.71 1xjw s ALA 101 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1xjw s ALA 101 Cb 0.10 0.70 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1xjw s ALA 101 CO 0.83 -0.67 -0.07 0.42 0.00 0.00 0.00 175.76 176.27 1xjw s ILE 102 N -3.41 0.90 -0.21 0.00 1.01 -0.31 -2.03 121.20 117.14 1xjw s ILE 102 Ca -0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.32 1xjw s ILE 102 Cb -0.00 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.51 1xjw s ILE 102 CO -0.10 0.33 0.09 -0.69 0.00 0.00 0.00 174.94 174.58 1xjw s VAL 103 N 1.48 4.83 -0.03 2.92 1.01 -0.22 0.68 120.40 131.07 1xjw s VAL 103 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1xjw s VAL 103 Cb -0.13 -3.22 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1xjw s VAL 103 CO -0.05 0.40 0.05 -0.32 0.00 0.00 0.00 175.10 175.18 1xjw s MET 104 N 0.86 0.02 -0.08 2.72 0.00 -0.58 -0.53 119.30 121.71 1xjw s MET 104 Ca 0.05 0.16 0.04 0.00 0.00 0.00 0.00 55.69 55.94 1xjw s MET 104 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 34.83 34.57 1xjw s MET 104 CO 0.03 -0.10 -0.20 0.50 0.00 0.00 0.00 175.02 175.25 1xjw s ARG 105 N 0.65 2.50 0.03 4.11 3.52 -0.84 0.08 118.95 129.00 1xjw s ARG 105 Ca -0.05 -0.72 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1xjw s ARG 105 Cb -0.07 -1.96 -0.02 0.00 -1.56 0.00 0.00 34.95 31.33 1xjw s ARG 105 CO -0.02 0.16 -0.04 -1.58 -0.81 0.00 0.00 175.30 173.01 1xjw s HIS 106 N 0.37 0.36 0.17 5.12 2.46 0.12 -0.63 115.29 123.25 1xjw s HIS 106 Ca -0.15 -0.63 0.31 0.00 0.47 0.00 0.00 55.06 55.06 1xjw s HIS 106 Cb -0.16 -0.25 1.31 0.00 -0.13 0.00 0.00 32.58 33.34 1xjw s HIS 106 CO 0.06 -0.21 1.97 -1.35 -2.47 0.00 0.00 174.74 172.74 1xjw h PRO 107 N 4.34 0.00 -5.69 2.88 0.11 -1.85 0.24 132.00 132.02 1xjw h PRO 107 Ca -0.33 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.12 1xjw h PRO 107 Cb 1.20 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.11 1xjw h PRO 107 CO 0.46 0.08 -0.67 -0.65 -0.21 0.00 0.00 178.00 177.01 1xjw s GLN 108 N -3.74 3.25 0.32 1.05 -0.21 -1.26 -3.70 119.66 115.36 1xjw s GLN 108 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 55.36 54.59 1xjw s GLN 108 Cb 0.10 -2.79 -0.12 0.00 1.00 0.00 0.00 33.01 31.20 1xjw s GLN 108 CO 0.57 0.47 1.50 0.39 -2.12 0.00 0.00 175.29 176.09 1xjw n GLU 109 N 2.84 2.54 -0.19 2.91 4.71 -1.24 -2.52 120.64 129.68 1xjw n GLU 109 Ca -0.18 0.90 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 1xjw n GLU 109 Cb 0.53 -2.62 0.00 0.00 -1.01 0.00 0.00 31.44 28.34 1xjw n GLU 109 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xjw n GLY 110 N 1.43 0.83 0.35 0.62 0.00 -1.26 -4.95 105.19 102.21 1xjw n GLY 110 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 1xjw n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xjw h ALA 111 N 0.00 1.37 -0.12 4.61 0.00 -1.84 -1.90 119.26 121.38 1xjw h ALA 111 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1xjw h ALA 111 Cb 0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1xjw h ALA 111 CO 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 179.25 179.67 1xjw h ALA 112 N 1.45 0.18 -0.75 0.00 0.00 -1.92 -2.19 119.26 116.03 1xjw h ALA 112 Ca 0.29 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.97 1xjw h ALA 112 Cb -0.06 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.62 1xjw h ALA 112 CO -0.06 0.05 0.39 -0.09 0.00 0.00 0.00 179.25 179.54 1xjw h ARG 113 N -0.10 0.64 -0.74 0.00 9.65 -1.90 -1.22 114.38 120.71 1xjw h ARG 113 Ca 0.02 -0.04 0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1xjw h ARG 113 Cb 0.66 -0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.06 1xjw h ARG 113 CO 0.03 0.42 0.49 1.25 2.80 0.00 0.00 179.97 184.97 1xjw h LEU 114 N 0.66 0.85 -1.16 3.80 5.85 -1.27 -2.63 115.31 121.40 1xjw h LEU 114 Ca 0.37 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 59.12 1xjw h LEU 114 Cb 0.37 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1xjw h LEU 114 CO -0.26 0.61 0.58 0.00 -0.34 0.00 0.00 178.44 179.03 1xjw h ALA 115 N 1.27 1.51 0.00 1.25 0.00 -0.57 -1.50 119.26 121.22 1xjw h ALA 115 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1xjw h ALA 115 Cb -0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 1xjw h ALA 115 CO -0.06 0.37 -0.05 1.79 0.00 0.00 0.00 179.25 181.30 1xjw h THR 116 N 1.03 0.58 -0.00 0.00 1.35 -1.09 -0.19 112.91 114.58 1xjw h THR 116 Ca 0.38 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1xjw h THR 116 Cb 0.16 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xjw h THR 116 CO -0.13 0.04 -0.00 -0.62 -0.25 0.00 0.00 175.52 174.56 1xjw n GLU 117 N -3.82 0.20 0.00 4.72 1.02 -0.57 -3.65 120.64 118.54 1xjw n GLU 117 Ca -0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1xjw n GLU 117 Cb 0.14 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1xjw n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1xjw n PHE 118 N -1.40 0.00 1.16 -0.32 3.72 -0.22 -4.79 117.46 115.61 1xjw n PHE 118 Ca 0.10 -0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.63 1xjw n PHE 118 Cb 0.29 -0.00 0.32 0.00 -0.94 0.00 0.00 39.48 39.15 1xjw n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xjw n SER 119 N -0.00 2.27 0.00 4.37 3.41 -0.39 -3.96 113.62 119.32 1xjw n SER 119 Ca 0.00 -1.76 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1xjw n SER 119 Cb 0.09 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1xjw n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xjw n GLY 120 N 1.27 3.13 0.08 5.00 0.00 -1.26 -1.84 105.19 111.56 1xjw n GLY 120 Ca 0.17 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1xjw n GLY 120 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xjw n ASN 121 N 3.14 0.52 -4.65 1.61 4.13 -1.26 -4.77 115.26 113.98 1xjw n ASN 121 Ca 0.00 0.57 -0.43 0.00 1.68 0.00 0.00 54.58 56.40 1xjw n ASN 121 Cb 0.00 -0.70 -0.03 0.00 -1.54 0.00 0.00 39.78 37.51 1xjw n ASN 121 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xjw s VAL 122 N -3.11 3.78 0.49 2.41 1.01 -0.77 -4.98 120.40 119.23 1xjw s VAL 122 Ca 0.10 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 62.77 1xjw s VAL 122 Cb 0.13 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.75 1xjw s VAL 122 CO 0.51 -0.19 1.17 -2.16 0.00 0.00 0.00 175.10 174.42 1xjw s PRO 123 N 4.22 3.58 -0.13 2.72 0.04 -1.26 -4.79 135.00 139.39 1xjw s PRO 123 Ca 0.68 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.51 1xjw s PRO 123 Cb -0.27 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1xjw s PRO 123 CO 0.26 -0.70 -0.19 0.08 0.04 0.00 0.00 177.00 176.50 1xjw s VAL 124 N -1.59 2.37 -0.24 -0.36 1.01 -1.26 -1.16 120.40 119.17 1xjw s VAL 124 Ca 0.67 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1xjw s VAL 124 Cb -0.28 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.11 1xjw s VAL 124 CO 0.33 0.54 0.06 -0.76 0.00 0.00 0.00 175.10 175.27 1xjw s LEU 125 N 0.65 3.41 -0.62 3.92 1.02 0.21 -1.52 118.68 125.76 1xjw s LEU 125 Ca -0.10 -0.21 -0.28 0.00 0.02 0.00 0.00 54.13 53.56 1xjw s LEU 125 Cb -0.16 -1.91 0.03 0.00 0.02 0.00 0.00 46.19 44.17 1xjw s LEU 125 CO 0.02 -0.03 1.26 0.21 0.02 0.00 0.00 176.35 177.83 1xjw s ASN 126 N 1.56 6.32 0.00 2.29 2.47 0.99 -1.52 114.94 127.05 1xjw s ASN 126 Ca 0.06 0.01 0.16 0.00 0.42 0.00 0.00 52.86 53.51 1xjw s ASN 126 Cb -0.15 -2.55 0.61 0.00 -1.45 0.00 0.00 41.25 37.71 1xjw s ASN 126 CO 0.03 -1.61 1.44 0.00 -3.72 0.00 0.00 177.10 173.24 1xjw n ALA 127 N 8.89 2.51 0.00 1.71 0.00 0.11 -4.18 120.51 129.56 1xjw n ALA 127 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1xjw n ALA 127 Cb 0.49 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1xjw n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xjw n GLY 128 N 1.01 3.67 2.82 0.00 0.00 -1.21 -4.73 105.19 106.75 1xjw n GLY 128 Ca 0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1xjw n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1xjw s ASP 129 N 0.00 4.12 1.38 1.61 -4.77 -1.19 0.14 116.67 117.96 1xjw s ASP 129 Ca 0.00 -2.24 0.00 0.00 -3.30 0.00 0.00 52.55 47.01 1xjw s ASP 129 Cb 0.00 -1.19 0.00 0.00 -1.09 0.00 0.00 42.92 40.64 1xjw s ASP 129 CO 0.00 -0.34 0.00 0.61 0.70 0.00 0.00 175.17 176.14 1xjw n GLY 130 N 4.08 3.20 1.77 2.12 0.00 0.83 -1.47 105.19 115.73 1xjw n GLY 130 Ca 0.04 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1xjw n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xjw n SER 131 N 2.71 5.32 0.00 1.61 3.41 -1.26 -4.77 113.62 120.64 1xjw n SER 131 Ca 0.00 -2.70 0.00 0.00 -0.26 0.00 0.00 58.87 55.91 1xjw n SER 131 Cb 0.00 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1xjw n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1xjw n ASN 132 N 0.89 0.00 -4.84 4.04 5.15 -0.54 -3.78 115.26 116.18 1xjw n ASN 132 Ca 0.27 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.98 1xjw n ASN 132 Cb 1.06 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 40.26 1xjw n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1xjw s GLN 133 N 0.08 3.06 -0.41 1.20 -1.52 -1.26 -4.26 119.66 116.55 1xjw s GLN 133 Ca 0.00 -0.77 0.09 0.00 -1.95 0.00 0.00 55.36 52.73 1xjw s GLN 133 Cb 0.00 -2.75 0.31 0.00 -0.22 0.00 0.00 33.01 30.35 1xjw s GLN 133 CO 0.00 0.50 0.80 1.58 -0.25 0.00 0.00 175.29 177.93 1xjw n HIS 134 N -0.32 -1.01 -0.22 0.91 -0.00 -1.25 -3.17 115.22 110.16 1xjw n HIS 134 Ca -0.08 -3.16 -0.07 0.00 0.46 0.00 0.00 57.72 54.86 1xjw n HIS 134 Cb 0.54 0.29 -0.03 0.00 -0.12 0.00 0.00 29.99 30.67 1xjw n HIS 134 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1xjw h PRO 135 N 3.28 -0.19 0.00 1.57 0.11 -1.83 -1.97 132.00 132.97 1xjw h PRO 135 Ca 0.02 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 1xjw h PRO 135 Cb 0.99 0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xjw h PRO 135 CO 0.39 -0.13 -0.05 1.79 -0.21 0.00 0.00 178.00 179.78 1xjw h THR 136 N -0.20 0.18 -0.02 -1.15 1.35 -1.94 -1.86 112.91 109.26 1xjw h THR 136 Ca 0.20 -0.53 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 1xjw h THR 136 Cb 0.56 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1xjw h THR 136 CO -0.71 0.05 -0.02 0.00 -0.25 0.00 0.00 175.52 174.59 1xjw h ALA 137 N 1.95 0.03 -0.61 6.62 0.00 -1.73 -2.69 119.26 122.83 1xjw h ALA 137 Ca -0.00 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xjw h ALA 137 Cb 0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1xjw h ALA 137 CO 0.01 -0.21 0.40 1.15 0.00 0.00 0.00 179.25 180.60 1xjw h THR 138 N -0.41 1.03 -0.60 0.00 2.02 -1.10 0.19 112.91 114.04 1xjw h THR 138 Ca 0.00 -0.22 -0.08 0.00 0.77 0.00 0.00 66.41 66.88 1xjw h THR 138 Cb 0.50 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1xjw h THR 138 CO 0.01 0.12 0.05 -0.07 0.37 0.00 0.00 175.52 176.00 1xjw h LEU 139 N 0.64 0.99 -0.58 2.58 3.38 -1.26 0.89 115.31 121.96 1xjw h LEU 139 Ca 0.26 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1xjw h LEU 139 Cb 0.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1xjw h LEU 139 CO -0.07 1.03 -0.71 0.17 0.09 0.00 0.00 178.44 178.95 1xjw h LEU 140 N 0.92 0.00 -0.14 1.67 8.10 -1.01 -1.57 115.31 123.28 1xjw h LEU 140 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 57.88 58.11 1xjw h LEU 140 Cb 0.49 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.70 1xjw h LEU 140 CO 0.02 0.71 -0.12 0.44 -4.11 0.00 0.00 178.44 175.37 1xjw h ASP 141 N 0.00 0.35 -0.15 0.17 3.32 -0.66 -0.96 116.42 118.50 1xjw h ASP 141 Ca -0.01 -0.47 0.03 0.00 0.02 0.00 0.00 57.03 56.61 1xjw h ASP 141 Cb 1.26 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1xjw h ASP 141 CO 0.09 0.75 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.24 1xjw h LEU 142 N -0.04 -0.16 -0.62 1.55 3.38 -0.79 0.61 115.31 119.24 1xjw h LEU 142 Ca 0.02 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.14 1xjw h LEU 142 Cb 0.64 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1xjw h LEU 142 CO 0.03 -0.06 0.23 0.15 0.09 0.00 0.00 178.44 178.88 1xjw h PHE 143 N -0.01 0.41 -0.28 1.13 3.57 -1.24 0.14 116.94 120.65 1xjw h PHE 143 Ca 0.08 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 1xjw h PHE 143 Cb 0.13 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1xjw h PHE 143 CO -0.19 0.10 -0.36 1.15 -2.23 0.00 0.00 178.31 176.78 1xjw h THR 144 N 0.41 1.29 -0.12 4.41 2.02 -0.18 -1.85 112.91 118.88 1xjw h THR 144 Ca 0.31 -1.50 -0.02 0.00 0.77 0.00 0.00 66.41 65.97 1xjw h THR 144 Cb 0.39 1.47 -0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1xjw h THR 144 CO -0.31 0.48 -0.01 0.40 0.37 0.00 0.00 175.52 176.45 1xjw h ILE 145 N 0.52 1.27 -0.57 3.11 2.04 1.00 -2.96 117.51 121.91 1xjw h ILE 145 Ca 0.05 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1xjw h ILE 145 Cb 0.86 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.53 1xjw h ILE 145 CO 0.07 0.26 0.37 -0.61 0.00 0.00 0.00 178.15 178.24 1xjw h GLN 146 N -0.06 0.76 0.00 2.37 4.15 -0.65 0.16 115.11 121.84 1xjw h GLN 146 Ca 0.03 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.39 1xjw h GLN 146 Cb 0.40 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.92 1xjw h GLN 146 CO 0.01 0.51 -0.06 1.05 -1.93 0.00 0.00 178.83 178.41 1xjw h GLU 147 N 0.78 0.00 0.00 1.69 4.11 -1.33 0.29 114.58 120.12 1xjw h GLU 147 Ca 0.21 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.47 1xjw h GLU 147 Cb -0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 1xjw h GLU 147 CO -0.04 0.06 -1.67 0.25 0.07 0.00 0.00 179.01 177.68 1xjw n THR 148 N -3.12 1.00 0.23 -1.06 -2.24 -0.93 -4.44 114.28 103.72 1xjw n THR 148 Ca 0.03 -0.68 0.03 0.00 -2.27 0.00 0.00 64.05 61.16 1xjw n THR 148 Cb 0.53 -0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 68.17 1xjw n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xjw n GLN 149 N -2.75 3.27 -1.67 -0.78 1.13 0.00 -5.00 117.38 111.58 1xjw n GLN 149 Ca -0.13 -0.02 -0.14 0.00 -1.94 0.00 0.00 57.00 54.78 1xjw n GLN 149 Cb 0.84 -0.94 -0.04 0.00 0.11 0.00 0.00 30.24 30.21 1xjw n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xjw n GLY 150 N 1.46 0.93 3.59 1.08 0.00 0.10 -4.95 105.19 107.40 1xjw n GLY 150 Ca 0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 46.02 45.63 1xjw n GLY 150 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xjw s ARG 151 N -3.65 0.38 -0.08 1.61 1.70 -1.24 -5.02 118.95 112.65 1xjw s ARG 151 Ca 0.00 -0.15 0.11 0.00 -0.47 0.00 0.00 55.73 55.22 1xjw s ARG 151 Cb 0.00 0.17 0.17 0.00 -0.57 0.00 0.00 34.95 34.72 1xjw s ARG 151 CO 0.00 -0.17 1.08 1.28 -1.08 0.00 0.00 175.30 176.42 1xjw n LEU 152 N -0.15 1.40 -4.42 -1.89 4.77 -1.26 -4.33 117.00 111.13 1xjw n LEU 152 Ca -0.01 -2.23 -0.26 0.00 -0.03 0.00 0.00 56.01 53.48 1xjw n LEU 152 Cb 0.59 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.31 1xjw n LEU 152 CO 0.09 0.52 -0.52 -1.81 -1.33 0.00 0.00 177.39 174.35 1xjw s ASP 153 N -2.10 3.36 -1.70 -1.43 1.01 -1.26 -4.51 116.67 110.04 1xjw s ASP 153 Ca 0.19 -0.89 -0.15 0.00 0.71 0.00 0.00 52.55 52.40 1xjw s ASP 153 Cb 0.16 -0.25 0.14 0.00 1.01 0.00 0.00 42.92 43.99 1xjw s ASP 153 CO 0.02 0.09 0.59 0.59 0.21 0.00 0.00 175.17 176.66 1xjw n ASN 154 N 0.12 -1.96 -4.90 0.27 4.13 -0.05 -4.92 115.26 107.95 1xjw n ASN 154 Ca -0.11 -1.11 -0.32 0.00 1.68 0.00 0.00 54.58 54.71 1xjw n ASN 154 Cb 0.57 -2.32 -0.05 0.00 -1.54 0.00 0.00 39.78 36.44 1xjw n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1xjw s LEU 155 N -7.24 4.33 -0.38 3.41 1.43 -1.25 -4.91 118.68 114.06 1xjw s LEU 155 Ca 0.58 0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 54.02 1xjw s LEU 155 Cb -0.32 -2.98 0.02 0.00 0.03 0.00 0.00 46.19 42.94 1xjw s LEU 155 CO 0.96 0.16 0.24 -1.00 0.23 0.00 0.00 176.35 176.94 1xjw s HIS 156 N -1.49 3.24 -0.09 0.29 3.76 -1.26 -0.98 115.29 118.76 1xjw s HIS 156 Ca 0.34 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.52 1xjw s HIS 156 Cb -0.13 -2.50 -0.01 0.00 1.11 0.00 0.00 32.58 31.06 1xjw s HIS 156 CO 0.23 -0.61 -0.20 0.08 -0.85 0.00 0.00 174.74 173.40 1xjw s VAL 157 N 1.61 2.50 -0.10 -0.90 1.01 0.10 0.41 120.40 125.03 1xjw s VAL 157 Ca 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1xjw s VAL 157 Cb -0.19 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1xjw s VAL 157 CO 0.08 0.56 -0.19 0.00 0.00 0.00 0.00 175.10 175.54 1xjw s ALA 158 N 0.01 2.37 -0.22 5.51 0.00 -0.49 -0.16 121.76 128.77 1xjw s ALA 158 Ca -0.07 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 1xjw s ALA 158 Cb -0.15 -0.96 0.00 0.00 0.00 0.00 0.00 23.12 22.02 1xjw s ALA 158 CO 0.05 0.30 -0.07 -1.64 0.00 0.00 0.00 175.76 174.40 1xjw s MET 159 N 0.23 3.19 0.04 0.00 -1.94 0.62 0.18 119.30 121.61 1xjw s MET 159 Ca -0.12 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.17 1xjw s MET 159 Cb -0.16 -2.93 -0.03 0.00 2.01 0.00 0.00 34.83 33.72 1xjw s MET 159 CO 0.07 -0.25 -0.14 0.08 -0.01 0.00 0.00 175.02 174.77 1xjw s VAL 160 N 1.41 3.11 0.00 -6.03 1.01 0.46 -1.49 120.40 118.87 1xjw s VAL 160 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1xjw s VAL 160 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1xjw s VAL 160 CO -0.05 0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.99 1xjw n GLY 161 N 1.47 0.35 3.50 4.51 0.00 -0.60 -1.37 105.19 113.05 1xjw n GLY 161 Ca -0.16 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 1xjw n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xjw s ASP 162 N -4.00 6.28 0.19 1.61 -1.08 -1.26 -4.27 116.67 114.15 1xjw s ASP 162 Ca 0.00 -1.02 0.23 0.00 -0.52 0.00 0.00 52.55 51.25 1xjw s ASP 162 Cb 0.00 -2.49 0.14 0.00 -1.46 0.00 0.00 42.92 39.11 1xjw s ASP 162 CO 0.00 -1.54 1.18 -0.07 0.52 0.00 0.00 175.17 175.25 1xjw h LEU 163 N 12.07 0.00 -0.03 -1.34 3.38 -1.53 -3.15 115.31 124.71 1xjw h LEU 163 Ca -0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 1xjw h LEU 163 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1xjw h LEU 163 CO 1.25 0.04 -0.07 0.50 0.09 0.00 0.00 178.44 180.25 1xjw h LYS 164 N 0.00 0.10 -0.01 1.13 3.64 -0.55 -3.32 116.57 117.55 1xjw h LYS 164 Ca 0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1xjw h LYS 164 Cb 0.91 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1xjw h LYS 164 CO 0.00 0.68 -0.20 0.66 -2.27 0.00 0.00 179.45 178.32 1xjw n TYR 165 N -4.71 0.00 -2.62 1.91 4.01 -1.26 -4.81 117.16 109.68 1xjw n TYR 165 Ca -0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.24 1xjw n TYR 165 Cb 0.34 -0.06 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 1xjw n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1xjw s GLY 166 N -2.31 1.31 0.55 2.72 0.00 -1.19 -4.61 107.32 103.79 1xjw s GLY 166 Ca 0.28 -2.21 0.24 0.00 0.00 0.00 0.00 44.72 43.02 1xjw s GLY 166 CO 0.46 2.57 2.08 0.07 0.00 0.00 0.00 173.10 178.27 1xjw h ARG 167 N 9.68 0.00 -0.12 2.90 0.11 -1.74 -1.13 114.38 124.08 1xjw h ARG 167 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1xjw h ARG 167 Cb 1.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.09 1xjw h ARG 167 CO 1.36 0.00 0.08 1.79 0.10 0.00 0.00 179.97 183.29 1xjw h THR 168 N 0.00 1.05 0.00 0.08 1.35 -1.88 -1.75 112.91 111.76 1xjw h THR 168 Ca 0.12 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xjw h THR 168 Cb 0.53 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1xjw h THR 168 CO -0.00 0.05 0.00 -0.37 -0.25 0.00 0.00 175.52 174.95 1xjw h VAL 169 N 0.15 0.00 -0.05 6.82 -1.51 -1.61 -0.65 116.25 119.40 1xjw h VAL 169 Ca 0.04 -0.79 -0.02 0.00 -1.23 0.00 0.00 66.70 64.70 1xjw h VAL 169 Cb 0.01 1.79 -0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1xjw h VAL 169 CO -0.01 0.00 -0.03 0.45 -1.23 0.00 0.00 177.57 176.75 1xjw h HIS 170 N 0.00 0.13 -0.19 5.19 -0.00 -0.93 -2.00 115.15 117.34 1xjw h HIS 170 Ca 0.00 -0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 60.13 1xjw h HIS 170 Cb 0.82 -0.03 0.01 0.00 -0.00 0.00 0.00 27.41 28.21 1xjw h HIS 170 CO 0.00 0.51 -0.70 0.77 -0.00 0.00 0.00 177.93 178.51 1xjw h SER 171 N -0.30 0.91 -0.68 2.45 0.02 -1.26 -2.92 113.55 111.78 1xjw h SER 171 Ca 0.01 -0.56 -0.04 0.00 -0.84 0.00 0.00 61.79 60.36 1xjw h SER 171 Cb 0.48 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1xjw h SER 171 CO 0.01 1.36 0.29 0.25 -1.14 0.00 0.00 176.83 177.60 1xjw h LEU 172 N 0.56 0.94 -0.25 5.07 5.85 -1.16 -2.15 115.31 124.17 1xjw h LEU 172 Ca -0.03 -0.13 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 1xjw h LEU 172 Cb 1.32 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 1xjw h LEU 172 CO 0.15 0.83 -0.40 0.74 -0.34 0.00 0.00 178.44 179.41 1xjw h THR 173 N 1.01 1.31 0.00 1.05 2.02 -1.39 -2.02 112.91 114.88 1xjw h THR 173 Ca 0.24 -1.60 -0.03 0.00 0.77 0.00 0.00 66.41 65.78 1xjw h THR 173 Cb 0.17 1.73 -0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1xjw h THR 173 CO -0.02 0.51 -0.16 1.56 0.37 0.00 0.00 175.52 177.77 1xjw h GLN 174 N 0.43 0.00 0.12 6.66 4.20 -1.35 -2.29 115.11 122.88 1xjw h GLN 174 Ca 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1xjw h GLN 174 Cb 0.99 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1xjw h GLN 174 CO 0.09 0.16 -0.06 0.00 -0.67 0.00 0.00 178.83 178.36 1xjw h ALA 175 N 1.84 -0.16 0.00 3.87 0.00 -1.19 -3.25 119.26 120.37 1xjw h ALA 175 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1xjw h ALA 175 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xjw h ALA 175 CO 0.02 -0.23 0.00 -0.07 0.00 0.00 0.00 179.25 178.97 1xjw h LEU 176 N -0.88 0.00 0.00 0.00 3.38 -1.28 0.19 115.31 116.71 1xjw h LEU 176 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xjw h LEU 176 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xjw h LEU 176 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1xjw n ALA 177 N -2.02 2.31 1.16 1.53 0.00 -0.87 -2.71 120.51 119.91 1xjw n ALA 177 Ca -0.02 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.45 1xjw n ALA 177 Cb 0.08 -1.46 0.47 0.00 0.00 0.00 0.00 19.45 18.54 1xjw n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xjw n LYS 178 N -1.49 0.32 -3.30 0.00 5.02 0.65 -4.85 118.16 114.50 1xjw n LYS 178 Ca 0.07 -0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 56.02 1xjw n LYS 178 Cb 0.33 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1xjw n LYS 178 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1xjw n PHE 179 N -1.23 -1.34 -4.02 2.13 3.01 -1.10 -4.85 117.46 110.06 1xjw n PHE 179 Ca 0.09 -2.05 -0.28 0.00 1.01 0.00 0.00 57.45 56.22 1xjw n PHE 179 Cb 0.32 -0.45 -0.05 0.00 -0.01 0.00 0.00 39.48 39.29 1xjw n PHE 179 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1xjw s ASP 180 N -4.09 5.78 -1.21 4.37 1.01 -1.26 -4.67 116.67 116.60 1xjw s ASP 180 Ca 0.39 0.02 -0.04 0.00 0.71 0.00 0.00 52.55 53.64 1xjw s ASP 180 Cb -0.03 -1.61 0.03 0.00 1.01 0.00 0.00 42.92 42.31 1xjw s ASP 180 CO 0.25 0.12 0.25 0.61 0.21 0.00 0.00 175.17 176.60 1xjw n GLY 181 N 0.00 -0.50 3.79 0.21 0.00 -1.26 -0.88 105.19 106.56 1xjw n GLY 181 Ca -0.08 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1xjw n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1xjw s ASN 182 N -2.35 7.01 -0.19 1.61 0.01 -1.26 -2.89 114.94 116.87 1xjw s ASN 182 Ca 0.18 1.20 -0.02 0.00 -0.71 0.00 0.00 52.86 53.50 1xjw s ASN 182 Cb -0.09 -2.36 -0.01 0.00 0.41 0.00 0.00 41.25 39.20 1xjw s ASN 182 CO 0.22 0.19 -0.08 -0.60 -1.51 0.00 0.00 177.10 175.32 1xjw s ARG 183 N -0.64 3.39 -0.14 -0.60 3.52 -0.15 -4.30 118.95 120.03 1xjw s ARG 183 Ca 0.30 -0.64 -0.07 0.00 -0.13 0.00 0.00 55.73 55.18 1xjw s ARG 183 Cb -0.19 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.30 1xjw s ARG 183 CO 0.18 -0.04 0.12 -0.06 -0.81 0.00 0.00 175.30 174.69 1xjw s PHE 184 N 1.04 3.51 -0.22 5.12 0.08 -0.70 -0.72 117.98 126.08 1xjw s PHE 184 Ca 0.00 0.44 0.02 0.00 0.12 0.00 0.00 56.93 57.51 1xjw s PHE 184 Cb -0.15 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1xjw s PHE 184 CO -0.01 0.60 -0.13 0.71 -0.10 0.00 0.00 175.22 176.28 1xjw s TYR 185 N -0.66 2.91 -0.35 0.36 2.02 0.78 -1.74 117.35 120.68 1xjw s TYR 185 Ca 0.13 -1.95 -0.10 0.00 -0.37 0.00 0.00 57.07 54.78 1xjw s TYR 185 Cb -0.12 -1.85 0.02 0.00 -0.40 0.00 0.00 41.96 39.60 1xjw s TYR 185 CO 0.02 -0.83 0.18 -0.06 -1.57 0.00 0.00 175.55 173.29 1xjw s PHE 186 N 1.23 3.22 -0.35 2.71 0.08 -0.24 -0.27 117.98 124.35 1xjw s PHE 186 Ca -0.03 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 1xjw s PHE 186 Cb -0.17 -2.39 0.09 0.00 -0.57 0.00 0.00 43.02 39.97 1xjw s PHE 186 CO -0.08 -0.58 0.09 0.42 -0.10 0.00 0.00 175.22 174.97 1xjw s ILE 187 N 1.56 2.92 0.12 0.64 1.09 -0.56 -2.56 121.20 124.41 1xjw s ILE 187 Ca 0.03 -1.89 -0.17 0.00 -1.10 0.00 0.00 60.65 57.52 1xjw s ILE 187 Cb -0.18 -2.91 0.04 0.00 -1.06 0.00 0.00 42.46 38.34 1xjw s ILE 187 CO 0.06 -0.45 0.43 0.00 -0.10 0.00 0.00 174.94 174.87 1xjw s ALA 188 N 1.12 -1.02 0.52 9.38 0.00 -1.26 -1.56 121.76 128.94 1xjw s ALA 188 Ca 0.04 0.05 -0.21 0.00 0.00 0.00 0.00 51.96 51.83 1xjw s ALA 188 Cb -0.21 0.69 -0.06 0.00 0.00 0.00 0.00 23.12 23.54 1xjw s ALA 188 CO -0.04 -0.64 1.22 -2.14 0.00 0.00 0.00 175.76 174.16 1xjw s PRO 189 N -3.69 3.39 0.27 0.00 0.02 -1.26 -4.81 135.00 128.91 1xjw s PRO 189 Ca 0.02 1.89 -0.01 0.00 0.02 0.00 0.00 61.00 62.92 1xjw s PRO 189 Cb 0.01 -2.23 0.58 0.00 0.02 0.00 0.00 34.50 32.88 1xjw s PRO 189 CO -0.11 -0.88 1.70 -0.44 -0.33 0.00 0.00 177.00 176.94 1xjw h ASP 190 N 1.57 0.23 0.18 2.53 3.32 -1.98 -0.20 116.42 122.07 1xjw h ASP 190 Ca -0.50 0.14 -0.04 0.00 0.02 0.00 0.00 57.03 56.65 1xjw h ASP 190 Cb 1.27 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.96 1xjw h ASP 190 CO 0.58 0.02 -0.17 0.00 -1.72 0.00 0.00 179.24 177.95 1xjw h ALA 191 N 1.64 1.70 -0.47 3.45 0.00 -2.02 -2.65 119.26 120.92 1xjw h ALA 191 Ca 0.48 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 55.07 1xjw h ALA 191 Cb 0.84 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 1xjw h ALA 191 CO -0.49 0.21 0.09 1.28 0.00 0.00 0.00 179.25 180.35 1xjw n LEU 192 N -4.31 4.73 -4.57 0.00 4.77 -0.16 -4.92 117.00 112.53 1xjw n LEU 192 Ca -0.02 -3.40 -0.30 0.00 -0.03 0.00 0.00 56.01 52.25 1xjw n LEU 192 Cb 0.24 -0.65 0.20 0.00 -2.33 0.00 0.00 43.42 40.87 1xjw n LEU 192 CO 0.36 0.95 0.53 0.00 -1.33 0.00 0.00 177.39 177.90 1xjw n ALA 193 N -0.72 -1.78 -1.91 -1.18 0.00 -0.75 -0.43 120.51 113.73 1xjw n ALA 193 Ca 0.34 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.55 1xjw n ALA 193 Cb 1.13 -2.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.47 1xjw n ALA 193 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1xjw s MET 194 N -4.45 4.27 0.80 0.00 1.75 -1.26 -2.75 119.30 117.65 1xjw s MET 194 Ca 0.67 2.29 -0.15 0.00 -1.25 0.00 0.00 55.69 57.24 1xjw s MET 194 Cb -0.23 -3.13 -0.01 0.00 2.84 0.00 0.00 34.83 34.29 1xjw s MET 194 CO 0.61 -0.45 0.52 -2.30 -0.65 0.00 0.00 175.02 172.76 1xjw n PRO 195 N 2.78 0.12 0.03 4.11 -0.02 -1.26 -4.90 135.00 135.86 1xjw n PRO 195 Ca 0.08 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.52 1xjw n PRO 195 Cb 0.40 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 1xjw n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1xjw h GLN 196 N -0.76 0.54 -0.63 -0.52 5.75 -2.00 -3.18 115.11 114.32 1xjw h GLN 196 Ca -0.45 -0.48 0.13 0.00 -0.15 0.00 0.00 58.65 57.70 1xjw h GLN 196 Cb 1.32 0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.95 1xjw h GLN 196 CO 0.40 1.11 0.43 0.10 -2.65 0.00 0.00 178.83 178.21 1xjw h TYR 197 N 0.36 0.34 0.05 3.99 -0.00 -2.00 0.19 116.97 119.89 1xjw h TYR 197 Ca -0.05 0.01 -0.25 0.00 -0.00 0.00 0.00 58.73 58.43 1xjw h TYR 197 Cb 1.41 -0.11 0.01 0.00 -0.00 0.00 0.00 36.73 38.05 1xjw h TYR 197 CO 0.06 0.14 -1.07 0.82 -0.00 0.00 0.00 178.16 178.12 1xjw h ILE 198 N 0.30 1.37 -0.37 -0.90 2.04 -1.93 -3.00 117.51 115.02 1xjw h ILE 198 Ca 0.30 -2.52 -0.10 0.00 1.00 0.00 0.00 64.86 63.54 1xjw h ILE 198 Cb 0.77 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1xjw h ILE 198 CO -0.07 0.75 -0.16 -0.07 0.00 0.00 0.00 178.15 178.60 1xjw h LEU 199 N 0.24 0.79 -1.45 1.44 3.38 -1.08 -1.46 115.31 117.17 1xjw h LEU 199 Ca -0.12 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.55 1xjw h LEU 199 Cb 1.73 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1xjw h LEU 199 CO 0.19 1.01 0.48 0.44 0.09 0.00 0.00 178.44 180.65 1xjw h ASP 200 N 0.56 0.56 -0.28 -0.43 5.19 -0.76 0.09 116.42 121.36 1xjw h ASP 200 Ca 0.09 0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.43 1xjw h ASP 200 Cb 0.71 -0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.10 1xjw h ASP 200 CO 0.05 0.34 -0.13 -0.03 -3.12 0.00 0.00 179.24 176.35 1xjw h MET 201 N 0.62 0.58 -0.26 3.56 4.05 -1.31 0.51 114.93 122.69 1xjw h MET 201 Ca 0.33 -0.25 0.02 0.00 -0.28 0.00 0.00 59.70 59.52 1xjw h MET 201 Cb 0.47 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.23 1xjw h MET 201 CO -0.12 0.82 0.12 -0.07 0.23 0.00 0.00 176.91 177.89 1xjw h LEU 202 N 0.32 0.17 0.04 3.39 3.38 -0.05 -2.13 115.31 120.43 1xjw h LEU 202 Ca 0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xjw h LEU 202 Cb 0.64 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xjw h LEU 202 CO 0.04 0.13 -0.02 0.44 0.09 0.00 0.00 178.44 179.12 1xjw h ASP 203 N 0.26 -0.06 -1.02 -0.43 3.32 -0.98 -0.63 116.42 116.89 1xjw h ASP 203 Ca 0.11 0.00 0.32 0.00 0.02 0.00 0.00 57.03 57.48 1xjw h ASP 203 Cb 0.04 0.02 -0.14 0.00 0.22 0.00 0.00 39.33 39.46 1xjw h ASP 203 CO -0.08 -0.04 0.59 -0.08 -1.72 0.00 0.00 179.24 177.91 1xjw h GLU 204 N -0.06 0.33 -0.33 3.56 4.57 -0.56 0.88 114.58 122.97 1xjw h GLU 204 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1xjw h GLU 204 Cb 0.05 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.57 1xjw h GLU 204 CO 0.00 0.22 0.00 1.63 -1.18 0.00 0.00 179.01 179.68 1xjw n LYS 205 N -5.00 1.98 -3.45 1.92 4.76 -0.83 -4.93 118.16 112.61 1xjw n LYS 205 Ca 0.31 -1.50 -0.24 0.00 -2.87 0.00 0.00 58.31 54.02 1xjw n LYS 205 Cb 0.98 -1.39 0.06 0.00 -1.84 0.00 0.00 35.03 32.84 1xjw n LYS 205 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xjw n GLY 206 N 1.22 -0.54 3.78 0.72 0.00 0.30 -4.97 105.19 105.70 1xjw n GLY 206 Ca 0.16 0.22 -0.38 0.00 0.00 0.00 0.00 46.02 46.02 1xjw n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xjw s ILE 207 N -3.28 5.10 -0.19 -0.61 1.01 -0.29 -5.02 121.20 117.93 1xjw s ILE 207 Ca 0.51 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.74 1xjw s ILE 207 Cb -0.23 -3.76 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 1xjw s ILE 207 CO 0.63 0.46 1.11 0.00 0.00 0.00 0.00 174.94 177.14 1xjw s ALA 208 N -0.23 3.65 0.03 9.38 0.00 -1.26 -4.56 121.76 128.77 1xjw s ALA 208 Ca 0.24 0.30 -0.02 0.00 0.00 0.00 0.00 51.96 52.48 1xjw s ALA 208 Cb -0.16 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1xjw s ALA 208 CO 0.11 -1.04 0.01 1.67 0.00 0.00 0.00 175.76 176.52 1xjw s TRP 209 N 3.15 0.27 0.08 0.00 1.48 -1.26 -1.72 118.94 120.93 1xjw s TRP 209 Ca 0.48 -0.57 -0.16 0.00 -1.06 0.00 0.00 56.10 54.79 1xjw s TRP 209 Cb -0.18 -0.20 0.03 0.00 -1.16 0.00 0.00 33.47 31.97 1xjw s TRP 209 CO 0.10 -0.26 0.38 -1.54 -4.06 0.00 0.00 176.95 171.56 1xjw s SER 210 N -1.81 -0.21 0.07 -2.66 1.04 -0.71 -4.99 113.70 104.43 1xjw s SER 210 Ca -0.10 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.15 1xjw s SER 210 Cb -0.05 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1xjw s SER 210 CO -0.03 -0.73 0.16 -0.76 0.98 0.00 0.00 173.24 172.86 1xjw s LEU 211 N -2.37 4.13 -0.06 2.42 1.43 -1.26 -1.08 118.68 121.90 1xjw s LEU 211 Ca -0.01 0.15 -0.09 0.00 -1.03 0.00 0.00 54.13 53.15 1xjw s LEU 211 Cb 0.01 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1xjw s LEU 211 CO -0.07 0.17 0.23 -1.00 0.23 0.00 0.00 176.35 175.92 1xjw s HIS 212 N -1.46 -0.19 -2.40 0.29 3.76 -1.06 -4.93 115.29 109.31 1xjw s HIS 212 Ca 0.33 0.43 0.25 0.00 -0.15 0.00 0.00 55.06 55.92 1xjw s HIS 212 Cb -0.13 0.06 0.96 0.00 1.11 0.00 0.00 32.58 34.58 1xjw s HIS 212 CO 0.26 -0.20 1.68 -1.13 -0.85 0.00 0.00 174.74 174.50 1xjw n SER 213 N 2.39 1.51 -3.62 1.40 3.41 -1.26 -4.33 113.62 113.12 1xjw n SER 213 Ca -0.16 -1.57 -0.11 0.00 -0.26 0.00 0.00 58.87 56.78 1xjw n SER 213 Cb 0.57 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.44 1xjw n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xjw s SER 214 N -1.83 -0.29 0.09 4.04 1.04 -1.26 -5.03 113.70 110.47 1xjw s SER 214 Ca 0.36 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.51 1xjw s SER 214 Cb 0.20 0.52 -0.24 0.00 0.10 0.00 0.00 66.02 66.59 1xjw s SER 214 CO 0.31 -0.91 1.19 0.40 0.98 0.00 0.00 173.24 175.21 1xjw h ILE 215 N 2.27 1.59 0.00 -1.02 2.04 -1.99 -3.27 117.51 117.14 1xjw h ILE 215 Ca -0.33 -3.25 -0.00 0.00 1.00 0.00 0.00 64.86 62.28 1xjw h ILE 215 Cb 1.27 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 40.21 1xjw h ILE 215 CO 0.43 0.93 -0.01 -0.08 0.00 0.00 0.00 178.15 179.43 1xjw h GLU 216 N 0.03 0.00 -0.21 2.37 4.81 -1.96 -0.41 114.58 119.21 1xjw h GLU 216 Ca -0.07 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1xjw h GLU 216 Cb 1.86 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 1xjw h GLU 216 CO 0.16 0.01 -0.06 0.93 -0.73 0.00 0.00 179.01 179.32 1xjw h GLU 217 N 0.00 0.32 -0.00 1.92 5.08 -1.99 -3.27 114.58 116.64 1xjw h GLU 217 Ca -0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1xjw h GLU 217 Cb 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1xjw h GLU 217 CO 0.00 0.40 -0.16 1.33 -1.00 0.00 0.00 179.01 179.58 1xjw n VAL 218 N -4.31 0.00 -0.33 3.13 0.24 -0.77 -4.79 118.33 111.50 1xjw n VAL 218 Ca 0.00 -0.42 0.23 0.00 -2.04 0.00 0.00 64.34 62.12 1xjw n VAL 218 Cb 0.23 1.04 0.46 0.00 -1.47 0.00 0.00 33.84 34.11 1xjw n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1xjw h MET 219 N 0.38 0.25 -0.46 7.34 -1.53 -1.16 0.49 114.93 120.24 1xjw h MET 219 Ca 0.00 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.24 1xjw h MET 219 Cb 0.16 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 1xjw h MET 219 CO 0.00 0.17 0.00 0.00 0.14 0.00 0.00 176.91 177.22 1xjw n ALA 220 N -2.36 2.63 0.00 0.39 0.00 -1.25 -4.04 120.51 115.88 1xjw n ALA 220 Ca 0.31 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.28 1xjw n ALA 220 Cb 0.98 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1xjw n ALA 220 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xjw n GLU 221 N 0.18 2.20 -2.71 0.00 1.02 0.15 -4.69 120.64 116.79 1xjw n GLU 221 Ca 0.08 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.87 1xjw n GLU 221 Cb 0.32 -0.82 -0.06 0.00 -0.02 0.00 0.00 31.44 30.87 1xjw n GLU 221 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1xjw s VAL 222 N -1.30 4.12 -0.14 2.62 -7.23 -1.13 -4.68 120.40 112.66 1xjw s VAL 222 Ca 0.00 1.46 0.17 0.00 -1.81 0.00 0.00 61.98 61.79 1xjw s VAL 222 Cb 0.00 -3.67 -0.24 0.00 0.56 0.00 0.00 36.38 33.03 1xjw s VAL 222 CO 0.00 -0.15 0.15 0.47 -0.31 0.00 0.00 175.10 175.26 1xjw n ASP 223 N -0.35 0.61 -3.75 4.85 8.00 0.17 -4.57 116.55 121.50 1xjw n ASP 223 Ca 0.06 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.38 1xjw n ASP 223 Cb 0.52 1.18 -0.17 0.00 -0.02 0.00 0.00 41.12 42.63 1xjw n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1xjw s ILE 224 N -2.66 0.02 -0.31 0.53 1.09 -1.10 -2.33 121.20 116.44 1xjw s ILE 224 Ca -0.08 0.25 -0.06 0.00 -1.10 0.00 0.00 60.65 59.66 1xjw s ILE 224 Cb 0.07 -0.19 0.02 0.00 -1.06 0.00 0.00 42.46 41.30 1xjw s ILE 224 CO 0.75 0.15 0.07 -0.22 -0.10 0.00 0.00 174.94 175.59 1xjw s LEU 225 N 1.51 3.94 -0.47 2.97 2.96 -0.92 -1.40 118.68 127.27 1xjw s LEU 225 Ca -0.03 -0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 52.87 1xjw s LEU 225 Cb -0.13 -1.86 0.08 0.00 0.50 0.00 0.00 46.19 44.79 1xjw s LEU 225 CO -0.03 -0.23 0.38 -0.47 -1.32 0.00 0.00 176.35 174.68 1xjw s TYR 226 N 1.45 3.27 0.01 5.38 5.04 0.13 -0.53 117.35 132.10 1xjw s TYR 226 Ca 0.01 -1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 53.31 1xjw s TYR 226 Cb -0.18 -3.20 -0.06 0.00 0.35 0.00 0.00 41.96 38.87 1xjw s TYR 226 CO 0.02 -0.84 0.59 -1.64 -1.34 0.00 0.00 175.55 172.34 1xjw s MET 227 N 1.58 4.29 0.31 4.97 -1.94 0.11 -0.40 119.30 128.22 1xjw s MET 227 Ca 0.04 0.73 0.08 0.00 -1.71 0.00 0.00 55.69 54.82 1xjw s MET 227 Cb -0.25 -3.32 -0.06 0.00 2.01 0.00 0.00 34.83 33.21 1xjw s MET 227 CO 0.05 0.42 -0.08 0.95 -0.01 0.00 0.00 175.02 176.36 1xjw s THR 228 N -0.37 1.93 0.00 2.05 -4.23 -0.47 -4.06 115.64 110.48 1xjw s THR 228 Ca 0.30 -2.17 -0.07 0.00 -1.18 0.00 0.00 61.69 58.57 1xjw s THR 228 Cb -0.18 -2.54 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1xjw s THR 228 CO 0.17 -0.25 0.28 -0.60 -0.54 0.00 0.00 174.62 173.67 1xjw s ARG 229 N -3.67 3.60 -0.13 3.99 3.52 -1.26 -4.58 118.95 120.43 1xjw s ARG 229 Ca 0.31 -0.03 -0.29 0.00 -0.13 0.00 0.00 55.73 55.59 1xjw s ARG 229 Cb 0.03 -3.09 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 1xjw s ARG 229 CO 0.14 0.66 1.48 0.08 -0.81 0.00 0.00 175.30 176.85 1xjw s VAL 230 N -1.26 3.90 -0.71 7.11 1.01 -1.26 -4.43 120.40 124.76 1xjw s VAL 230 Ca 0.26 1.07 -0.23 0.00 0.00 0.00 0.00 61.98 63.09 1xjw s VAL 230 Cb -0.13 -3.73 -0.18 0.00 0.00 0.00 0.00 36.38 32.34 1xjw s VAL 230 CO 0.15 -0.14 1.90 0.00 0.00 0.00 0.00 175.10 177.01 1xjw n GLN 231 N 7.00 1.38 -0.21 2.72 1.13 -1.26 -4.75 117.38 123.38 1xjw n GLN 231 Ca 0.16 -1.78 0.02 0.00 -1.94 0.00 0.00 57.00 53.46 1xjw n GLN 231 Cb 0.44 -2.89 0.12 0.00 0.11 0.00 0.00 30.24 28.02 1xjw n GLN 231 CO 0.00 0.00 0.00 -0.22 -1.44 0.00 0.00 177.06 175.40 1xjw h LYS 232 N 8.08 0.24 0.00 -1.09 3.64 -1.94 -0.18 116.57 125.32 1xjw h LYS 232 Ca 0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xjw h LYS 232 Cb 0.67 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1xjw h LYS 232 CO 1.97 0.16 0.00 0.39 -2.27 0.00 0.00 179.45 179.69 1xjw n GLU 233 N -5.15 0.09 -0.00 1.90 4.71 -1.26 -1.84 120.64 119.09 1xjw n GLU 233 Ca 0.10 0.52 0.05 0.00 -0.01 0.00 0.00 57.16 57.82 1xjw n GLU 233 Cb 0.35 -1.76 -0.06 0.00 -1.01 0.00 0.00 31.44 28.96 1xjw n GLU 233 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 1xjw n ARG 234 N -1.96 3.50 -1.53 3.49 1.74 -0.14 -5.02 116.66 116.74 1xjw n ARG 234 Ca 0.00 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1xjw n ARG 234 Cb 0.07 -0.99 0.09 0.00 -1.02 0.00 0.00 32.46 30.61 1xjw n ARG 234 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xjw n LEU 235 N -1.27 5.33 -4.87 0.55 4.77 -0.77 -5.01 117.00 115.73 1xjw n LEU 235 Ca 0.02 0.75 -0.36 0.00 -0.03 0.00 0.00 56.01 56.39 1xjw n LEU 235 Cb 0.16 -1.53 -0.06 0.00 -2.33 0.00 0.00 43.42 39.67 1xjw n LEU 235 CO 0.20 -1.30 -0.04 -0.62 -1.33 0.00 0.00 177.39 174.31 1xjw s ASP 236 N -1.59 6.56 0.46 -1.43 -1.08 -1.26 -4.97 116.67 113.37 1xjw s ASP 236 Ca 0.79 0.66 0.31 0.00 -0.52 0.00 0.00 52.55 53.80 1xjw s ASP 236 Cb -0.36 -2.13 1.42 0.00 -1.46 0.00 0.00 42.92 40.39 1xjw s ASP 236 CO 0.44 0.31 1.68 -0.65 0.52 0.00 0.00 175.17 177.47 1xjw h PRO 237 N 4.44 0.12 0.00 4.34 0.11 -1.99 1.99 132.00 141.02 1xjw h PRO 237 Ca -0.52 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1xjw h PRO 237 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1xjw h PRO 237 CO 0.63 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.37 1xjw n SER 238 N -4.49 0.00 -0.28 -2.05 3.41 -1.26 -2.37 113.62 106.58 1xjw n SER 238 Ca 0.34 -0.06 0.03 0.00 -0.26 0.00 0.00 58.87 58.92 1xjw n SER 238 Cb 1.36 -0.25 0.05 0.00 -0.26 0.00 0.00 64.21 65.11 1xjw n SER 238 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1xjw n GLU 239 N -1.25 1.08 0.00 4.33 1.02 0.67 -4.66 120.64 121.83 1xjw n GLU 239 Ca 0.09 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1xjw n GLU 239 Cb 0.13 -1.13 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 1xjw n GLU 239 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xjw n TYR 240 N 0.22 0.00 0.53 -0.32 4.02 -1.00 -0.73 117.16 119.89 1xjw n TYR 240 Ca 0.05 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 58.06 1xjw n TYR 240 Cb 0.23 -0.05 0.31 0.00 -0.02 0.00 0.00 39.34 39.81 1xjw n TYR 240 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1xjw h ALA 241 N 1.77 0.90 -0.48 -0.72 0.00 -1.84 -3.31 119.26 115.58 1xjw h ALA 241 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xjw h ALA 241 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xjw h ALA 241 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1xjw n ASN 242 N -2.38 3.29 -0.25 0.00 4.13 0.09 -4.58 115.26 115.55 1xjw n ASN 242 Ca 0.05 -1.99 -0.03 0.00 1.68 0.00 0.00 54.58 54.29 1xjw n ASN 242 Cb 0.45 -0.32 0.09 0.00 -1.54 0.00 0.00 39.78 38.46 1xjw n ASN 242 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 1xjw h VAL 243 N 2.87 1.07 -3.86 2.41 -1.51 -1.72 -3.41 116.25 112.09 1xjw h VAL 243 Ca 0.00 -0.29 -0.52 0.00 -1.23 0.00 0.00 66.70 64.66 1xjw h VAL 243 Cb 0.82 0.15 0.05 0.00 -2.13 0.00 0.00 31.29 30.18 1xjw h VAL 243 CO 0.00 0.15 0.58 -0.54 -1.23 0.00 0.00 177.57 176.53 1xjw s LYS 244 N -6.11 4.42 0.11 5.19 -0.14 -1.26 -4.81 119.74 117.14 1xjw s LYS 244 Ca -0.13 2.07 -0.31 0.00 -1.36 0.00 0.00 55.97 56.24 1xjw s LYS 244 Cb 0.16 -3.08 -0.10 0.00 -1.68 0.00 0.00 37.83 33.13 1xjw s LYS 244 CO 0.77 -0.08 1.72 0.00 -0.76 0.00 0.00 175.35 177.00 1xjw s ALA 245 N -1.16 3.75 -0.03 5.17 0.00 -1.26 -4.90 121.76 123.32 1xjw s ALA 245 Ca 0.48 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 1xjw s ALA 245 Cb -0.37 -3.71 -0.32 0.00 0.00 0.00 0.00 23.12 18.72 1xjw s ALA 245 CO 0.48 -1.10 0.79 0.37 0.00 0.00 0.00 175.76 176.30 1xjw h GLN 246 N 8.16 0.41 -4.71 0.00 4.15 -1.91 -3.43 115.11 117.77 1xjw h GLN 246 Ca -0.44 -0.71 -0.69 0.00 0.77 0.00 0.00 58.65 57.58 1xjw h GLN 246 Cb 1.21 0.26 -0.29 0.00 0.21 0.00 0.00 27.48 28.87 1xjw h GLN 246 CO 0.94 1.34 -0.63 -0.06 -1.93 0.00 0.00 178.83 178.49 1xjw s PHE 247 N -2.55 3.24 -0.16 3.99 0.08 -1.26 -5.08 117.98 116.23 1xjw s PHE 247 Ca -0.14 -1.47 -0.02 0.00 0.12 0.00 0.00 56.93 55.42 1xjw s PHE 247 Cb 0.04 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 1xjw s PHE 247 CO 0.87 -0.73 -0.07 0.08 -0.10 0.00 0.00 175.22 175.27 1xjw s VAL 248 N 1.38 3.44 -0.20 -0.44 1.01 -1.26 -4.77 120.40 119.57 1xjw s VAL 248 Ca -0.02 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.29 1xjw s VAL 248 Cb -0.19 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 1xjw s VAL 248 CO 0.02 0.48 0.43 -0.22 0.00 0.00 0.00 175.10 175.81 1xjw s LEU 249 N 0.68 4.16 0.33 3.92 2.96 0.36 -4.98 118.68 126.12 1xjw s LEU 249 Ca -0.04 0.57 0.09 0.00 -0.22 0.00 0.00 54.13 54.54 1xjw s LEU 249 Cb -0.15 -2.57 -0.06 0.00 0.50 0.00 0.00 46.19 43.91 1xjw s LEU 249 CO 0.02 -0.10 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.80 1xjw s ARG 250 N 1.35 1.99 0.36 1.98 0.52 -1.26 -0.78 118.95 123.11 1xjw s ARG 250 Ca 0.21 -1.79 0.06 0.00 -0.52 0.00 0.00 55.73 53.68 1xjw s ARG 250 Cb -0.15 -1.87 0.74 0.00 0.52 0.00 0.00 34.95 34.19 1xjw s ARG 250 CO 0.08 0.16 1.96 0.00 0.02 0.00 0.00 175.30 177.52 1xjw h ALA 251 N 1.90 1.70 -0.88 2.13 0.00 -1.89 -2.78 119.26 119.43 1xjw h ALA 251 Ca -0.42 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1xjw h ALA 251 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1xjw h ALA 251 CO 0.67 0.19 0.47 0.66 0.00 0.00 0.00 179.25 181.24 1xjw h SER 252 N 0.76 1.12 0.02 0.00 4.64 -1.96 -2.65 113.55 115.49 1xjw h SER 252 Ca 0.31 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1xjw h SER 252 Cb 0.25 -0.29 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1xjw h SER 252 CO -0.10 0.91 0.00 0.47 -0.87 0.00 0.00 176.83 177.23 1xjw n ASP 253 N -4.32 0.00 -1.03 4.97 8.00 -1.05 -2.45 116.55 120.67 1xjw n ASP 253 Ca 0.09 -0.15 0.12 0.00 0.71 0.00 0.00 54.79 55.56 1xjw n ASP 253 Cb 0.11 -0.05 0.24 0.00 -0.02 0.00 0.00 41.12 41.41 1xjw n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xjw n LEU 254 N -1.05 3.09 -0.27 0.64 4.77 -1.00 -4.60 117.00 118.58 1xjw n LEU 254 Ca 0.05 -1.32 -0.05 0.00 -0.03 0.00 0.00 56.01 54.66 1xjw n LEU 254 Cb 0.03 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 40.96 1xjw n LEU 254 CO 0.04 0.66 1.13 1.12 -1.33 0.00 0.00 177.39 179.01 1xjw h HIS 255 N 4.02 1.02 -0.60 -1.77 2.07 -1.69 -2.96 115.15 115.24 1xjw h HIS 255 Ca 0.00 -0.02 -0.12 0.00 -2.85 0.00 0.00 60.37 57.38 1xjw h HIS 255 Cb 0.88 -0.33 -0.07 0.00 2.57 0.00 0.00 27.41 30.46 1xjw h HIS 255 CO 0.22 0.70 0.16 0.27 -3.07 0.00 0.00 177.93 176.20 1xjw n ASN 256 N -4.47 4.70 -4.83 3.10 6.94 -1.26 -4.97 115.26 114.47 1xjw n ASN 256 Ca 0.07 -2.96 -0.35 0.00 -0.02 0.00 0.00 54.58 51.32 1xjw n ASN 256 Cb 0.08 -0.70 -0.06 0.00 -2.36 0.00 0.00 39.78 36.74 1xjw n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xjw s ALA 257 N -2.61 3.42 0.38 -2.53 0.00 -1.12 -3.89 121.76 115.40 1xjw s ALA 257 Ca 0.48 0.07 -0.25 0.00 0.00 0.00 0.00 51.96 52.26 1xjw s ALA 257 Cb 0.37 -2.75 -0.12 0.00 0.00 0.00 0.00 23.12 20.62 1xjw s ALA 257 CO 0.13 0.35 0.96 1.63 0.00 0.00 0.00 175.76 178.83 1xjw n LYS 258 N 0.41 1.27 0.27 0.00 5.02 -1.26 -4.83 118.16 119.04 1xjw n LYS 258 Ca -0.01 0.45 0.13 0.00 -2.02 0.00 0.00 58.31 56.86 1xjw n LYS 258 Cb 0.52 -1.91 0.78 0.00 -0.02 0.00 0.00 35.03 34.40 1xjw n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xjw h ALA 259 N 1.61 1.47 -0.21 7.82 0.00 -1.96 -2.37 119.26 125.63 1xjw h ALA 259 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xjw h ALA 259 Cb 1.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xjw h ALA 259 CO 0.57 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.18 1xjw n ASN 260 N -3.85 2.72 -4.74 0.00 6.94 -1.26 -4.94 115.26 110.13 1xjw n ASN 260 Ca -0.02 -1.88 -0.41 0.00 -0.02 0.00 0.00 54.58 52.25 1xjw n ASN 260 Cb 0.16 -0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.41 1xjw n ASN 260 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xjw s MET 261 N -1.75 4.68 0.04 -3.83 0.23 -0.89 -4.92 119.30 112.86 1xjw s MET 261 Ca 0.34 1.59 0.06 0.00 -1.03 0.00 0.00 55.69 56.65 1xjw s MET 261 Cb 0.21 -3.31 -0.03 0.00 -1.53 0.00 0.00 34.83 30.17 1xjw s MET 261 CO 0.30 0.21 -0.15 0.15 -2.03 0.00 0.00 175.02 173.51 1xjw s LYS 262 N -0.45 2.18 -0.29 3.16 -0.14 -0.98 -4.55 119.74 118.67 1xjw s LYS 262 Ca 0.47 -0.93 -0.13 0.00 -1.36 0.00 0.00 55.97 54.02 1xjw s LYS 262 Cb -0.27 -2.26 -0.04 0.00 -1.68 0.00 0.00 37.83 33.58 1xjw s LYS 262 CO 0.33 0.55 0.29 0.08 -0.76 0.00 0.00 175.35 175.84 1xjw s VAL 263 N -0.96 5.23 0.22 3.17 1.01 0.91 -2.17 120.40 127.81 1xjw s VAL 263 Ca 0.16 0.25 0.08 0.00 0.00 0.00 0.00 61.98 62.46 1xjw s VAL 263 Cb -0.11 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1xjw s VAL 263 CO 0.06 0.13 0.06 -0.76 0.00 0.00 0.00 175.10 174.59 1xjw s LEU 264 N 1.91 3.44 -0.29 3.92 1.43 0.31 -2.13 118.68 127.27 1xjw s LEU 264 Ca 0.11 -0.41 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1xjw s LEU 264 Cb -0.16 -2.02 0.13 0.00 0.03 0.00 0.00 46.19 44.16 1xjw s LEU 264 CO 0.11 0.03 0.83 -2.28 0.23 0.00 0.00 176.35 175.27 1xjw s HIS 265 N -2.01 -0.87 0.53 0.29 2.46 -1.26 -0.71 115.29 113.72 1xjw s HIS 265 Ca 0.30 1.66 0.29 0.00 0.47 0.00 0.00 55.06 57.77 1xjw s HIS 265 Cb -0.08 0.52 1.68 0.00 -0.13 0.00 0.00 32.58 34.57 1xjw s HIS 265 CO 0.21 -0.43 2.19 -1.35 -2.47 0.00 0.00 174.74 172.88 1xjw h PRO 266 N 6.90 0.00 -1.76 2.88 0.11 -1.95 -3.46 132.00 134.72 1xjw h PRO 266 Ca -0.25 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.95 1xjw h PRO 266 Cb 1.18 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1xjw h PRO 266 CO 0.15 0.05 -0.56 1.28 -0.21 0.00 0.00 178.00 178.71 1xjw n LEU 267 N -3.79 -0.65 -4.82 2.35 4.77 -1.26 -5.02 117.00 108.58 1xjw n LEU 267 Ca -0.03 1.28 -0.31 0.00 -0.03 0.00 0.00 56.01 56.93 1xjw n LEU 267 Cb 0.14 -1.27 0.05 0.00 -2.33 0.00 0.00 43.42 40.02 1xjw n LEU 267 CO 0.28 -0.74 0.71 -2.84 -1.33 0.00 0.00 177.39 173.47 1xjw s PRO 268 N -4.13 2.88 -0.00 3.23 0.02 -1.26 -5.02 135.00 130.72 1xjw s PRO 268 Ca 0.00 0.92 -0.01 0.00 0.02 0.00 0.00 61.00 61.93 1xjw s PRO 268 Cb 0.00 -1.99 -0.04 0.00 0.02 0.00 0.00 34.50 32.49 1xjw s PRO 268 CO 0.00 -1.13 0.11 -0.98 -0.33 0.00 0.00 177.00 174.67 1xjw s ARG 269 N -5.06 3.15 0.00 5.54 1.70 -1.26 -4.63 118.95 118.39 1xjw s ARG 269 Ca 0.58 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 1xjw s ARG 269 Cb -0.14 -2.91 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 1xjw s ARG 269 CO 0.55 0.65 0.00 0.28 -1.08 0.00 0.00 175.30 175.70 1xjw n VAL 270 N 1.07 0.00 -0.20 4.99 0.31 -1.26 -4.95 118.33 118.30 1xjw n VAL 270 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1xjw n VAL 270 Cb 0.53 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 1xjw n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xjw n ASP 271 N -0.63 0.69 0.30 4.52 5.75 -1.26 -4.75 116.55 121.17 1xjw n ASP 271 Ca 0.00 -0.93 0.18 0.00 -0.01 0.00 0.00 54.79 54.03 1xjw n ASP 271 Cb 0.00 0.09 0.94 0.00 -1.03 0.00 0.00 41.12 41.12 1xjw n ASP 271 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1xjw h GLU 272 N 0.00 0.00 -4.41 0.11 9.09 -1.91 -3.39 114.58 114.07 1xjw h GLU 272 Ca 0.00 0.00 -0.58 0.00 0.05 0.00 0.00 59.36 58.83 1xjw h GLU 272 Cb 0.10 0.00 -0.37 0.00 -1.65 0.00 0.00 28.75 26.83 1xjw h GLU 272 CO 0.00 0.03 -0.81 0.42 0.05 0.00 0.00 179.01 178.71 1xjw s ILE 273 N -4.13 1.36 0.54 -1.06 1.09 -1.26 -0.48 121.20 117.25 1xjw s ILE 273 Ca -0.03 -0.68 -0.21 0.00 -1.10 0.00 0.00 60.65 58.62 1xjw s ILE 273 Cb 0.12 -1.42 -0.05 0.00 -1.06 0.00 0.00 42.46 40.06 1xjw s ILE 273 CO 0.50 0.26 1.29 0.00 -0.10 0.00 0.00 174.94 176.89 1xjw s ALA 274 N 1.54 2.79 -0.90 9.38 0.00 0.04 -4.87 121.76 129.74 1xjw s ALA 274 Ca 0.02 1.19 0.15 0.00 0.00 0.00 0.00 51.96 53.32 1xjw s ALA 274 Cb -0.14 -3.51 0.63 0.00 0.00 0.00 0.00 23.12 20.09 1xjw s ALA 274 CO -0.09 -1.20 1.46 0.25 0.00 0.00 0.00 175.76 176.19 1xjw n THR 275 N -1.04 1.08 0.75 0.00 -2.24 -1.26 -1.91 114.28 109.65 1xjw n THR 275 Ca 0.10 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 1xjw n THR 275 Cb 0.46 -1.10 0.49 0.00 -2.10 0.00 0.00 70.33 68.09 1xjw n THR 275 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1xjw n ASP 276 N -1.64 0.21 0.21 3.42 5.75 -1.26 -1.88 116.55 121.35 1xjw n ASP 276 Ca 0.03 0.53 0.09 0.00 -0.01 0.00 0.00 54.79 55.43 1xjw n ASP 276 Cb 0.16 -0.58 0.27 0.00 -1.03 0.00 0.00 41.12 39.94 1xjw n ASP 276 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 1xjw h VAL 277 N 0.00 0.39 -0.60 2.12 2.07 -1.72 -3.26 116.25 115.25 1xjw h VAL 277 Ca 0.00 -1.32 0.08 0.00 0.82 0.00 0.00 66.70 66.29 1xjw h VAL 277 Cb 0.46 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.19 1xjw h VAL 277 CO 0.00 0.20 0.40 0.44 0.02 0.00 0.00 177.57 178.63 1xjw h ASP 278 N 0.00 0.43 -0.36 0.57 5.19 -1.54 -2.44 116.42 118.27 1xjw h ASP 278 Ca -0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xjw h ASP 278 Cb 0.98 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.40 1xjw h ASP 278 CO 0.03 0.27 0.00 0.29 -3.12 0.00 0.00 179.24 176.70 1xjw n LYS 279 N -4.48 2.38 -4.12 3.56 5.02 -1.23 -4.79 118.16 114.51 1xjw n LYS 279 Ca 0.09 -1.51 -0.31 0.00 -2.02 0.00 0.00 58.31 54.56 1xjw n LYS 279 Cb 0.31 -1.55 -0.07 0.00 -0.02 0.00 0.00 35.03 33.70 1xjw n LYS 279 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1xjw s THR 280 N -1.66 4.40 0.41 -0.18 -4.23 -0.92 -4.98 115.64 108.47 1xjw s THR 280 Ca 0.27 -0.71 0.24 0.00 -1.18 0.00 0.00 61.69 60.31 1xjw s THR 280 Cb 0.17 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 71.19 1xjw s THR 280 CO 0.14 0.21 1.70 -0.65 -0.54 0.00 0.00 174.62 175.48 1xjw h PRO 281 N 3.66 0.00 0.14 3.99 0.11 -1.91 -1.40 132.00 136.60 1xjw h PRO 281 Ca -0.48 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.35 1xjw h PRO 281 Cb 1.17 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1xjw h PRO 281 CO 0.62 0.00 -1.27 0.45 -0.21 0.00 0.00 178.00 177.60 1xjw h HIS 282 N 0.00 0.62 -2.27 0.65 3.86 -1.88 -3.45 115.15 112.68 1xjw h HIS 282 Ca 0.00 -0.44 -0.58 0.00 -1.16 0.00 0.00 60.37 58.19 1xjw h HIS 282 Cb 0.61 -0.03 0.04 0.00 1.06 0.00 0.00 27.41 29.09 1xjw h HIS 282 CO 0.00 1.33 0.97 0.00 0.86 0.00 0.00 177.93 181.09 1xjw n ALA 283 N -2.58 1.48 -1.19 2.45 0.00 -0.53 -0.06 120.51 120.08 1xjw n ALA 283 Ca -0.10 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1xjw n ALA 283 Cb 1.02 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1xjw n ALA 283 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1xjw n TRP 284 N 4.90 0.00 -0.24 0.00 -0.00 -0.91 -4.84 117.44 116.35 1xjw n TRP 284 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.73 1xjw n TRP 284 Cb 0.31 0.02 0.29 0.00 -0.00 0.00 0.00 31.31 31.93 1xjw n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1xjw h TYR 285 N 0.00 0.91 -0.02 5.87 -0.00 -1.85 0.39 116.97 122.27 1xjw h TYR 285 Ca 0.00 0.02 -0.17 0.00 -0.00 0.00 0.00 58.73 58.59 1xjw h TYR 285 Cb 0.83 -0.30 -0.02 0.00 -0.00 0.00 0.00 36.73 37.24 1xjw h TYR 285 CO 0.00 0.50 -0.74 0.74 -0.00 0.00 0.00 178.16 178.66 1xjw h PHE 286 N 0.92 0.19 -0.39 0.10 0.04 -1.91 -0.87 116.94 115.02 1xjw h PHE 286 Ca 0.33 -0.09 -0.13 0.00 2.80 0.00 0.00 57.97 60.88 1xjw h PHE 286 Cb 0.15 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.27 1xjw h PHE 286 CO -0.00 0.83 -0.27 1.96 -0.60 0.00 0.00 178.31 180.23 1xjw h GLN 287 N 0.09 0.86 -0.91 1.51 7.50 -1.77 -2.12 115.11 120.27 1xjw h GLN 287 Ca -0.02 -0.41 0.05 0.00 0.50 0.00 0.00 58.65 58.77 1xjw h GLN 287 Cb 1.31 -0.01 -0.06 0.00 0.05 0.00 0.00 27.48 28.77 1xjw h GLN 287 CO 0.11 1.05 0.59 0.37 -1.50 0.00 0.00 178.83 179.45 1xjw h GLN 288 N 0.67 1.04 -0.18 1.46 4.15 -0.75 -1.50 115.11 120.00 1xjw h GLN 288 Ca 0.08 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.41 1xjw h GLN 288 Cb 0.84 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1xjw h GLN 288 CO 0.07 0.69 0.03 0.00 -1.93 0.00 0.00 178.83 177.69 1xjw h ALA 289 N 1.49 0.23 -0.43 3.38 0.00 -0.73 -2.67 119.26 120.54 1xjw h ALA 289 Ca 0.38 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1xjw h ALA 289 Cb 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xjw h ALA 289 CO -0.13 -0.11 0.28 0.78 0.00 0.00 0.00 179.25 180.08 1xjw h GLY 290 N 0.08 0.52 2.00 0.00 0.00 -0.84 0.54 103.07 105.38 1xjw h GLY 290 Ca 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1xjw h GLY 290 CO 0.00 0.16 0.00 0.70 0.00 0.00 0.00 176.54 177.40 1xjw n ASN 291 N -4.48 0.34 0.23 0.19 5.03 -0.62 -1.96 115.26 114.00 1xjw n ASN 291 Ca 0.04 0.61 0.06 0.00 0.87 0.00 0.00 54.58 56.17 1xjw n ASN 291 Cb 0.15 -0.67 0.54 0.00 -1.02 0.00 0.00 39.78 38.78 1xjw n ASN 291 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1xjw h GLY 292 N 1.30 0.00 1.05 7.41 0.00 -0.86 -1.70 103.07 110.27 1xjw h GLY 292 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1xjw h GLY 292 CO 0.00 0.00 0.07 -2.22 0.00 0.00 0.00 176.54 174.39 1xjw h ILE 293 N 0.00 1.26 -0.00 2.60 5.03 -1.57 -2.10 117.51 122.73 1xjw h ILE 293 Ca -0.00 -1.04 -0.12 0.00 -0.12 0.00 0.00 64.86 63.57 1xjw h ILE 293 Cb 0.22 0.77 0.01 0.00 -3.03 0.00 0.00 36.82 34.79 1xjw h ILE 293 CO 0.02 0.38 -0.48 -0.26 -0.68 0.00 0.00 178.15 177.13 1xjw h PHE 294 N 0.91 0.49 -0.51 1.37 0.04 -1.60 -2.25 116.94 115.39 1xjw h PHE 294 Ca 0.18 -0.26 0.03 0.00 2.80 0.00 0.00 57.97 60.71 1xjw h PHE 294 Cb 0.47 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.52 1xjw h PHE 294 CO 0.03 1.08 0.29 0.00 -0.60 0.00 0.00 178.31 179.11 1xjw h ALA 295 N 0.30 0.65 0.00 2.45 0.00 -1.36 -2.27 119.26 119.03 1xjw h ALA 295 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 1xjw h ALA 295 Cb 1.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xjw h ALA 295 CO 0.09 -0.03 -0.44 0.00 0.00 0.00 0.00 179.25 178.87 1xjw h ARG 296 N 0.57 0.00 -0.16 0.00 3.08 -1.45 -2.56 114.38 113.86 1xjw h ARG 296 Ca 0.21 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 1xjw h ARG 296 Cb 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xjw h ARG 296 CO -0.11 0.44 -0.17 1.96 -1.07 0.00 0.00 179.97 181.02 1xjw h GLN 297 N 0.00 0.40 -0.38 0.04 4.20 -1.16 -2.41 115.11 115.80 1xjw h GLN 297 Ca -0.00 -0.21 0.07 0.00 0.06 0.00 0.00 58.65 58.57 1xjw h GLN 297 Cb 0.95 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.67 1xjw h GLN 297 CO 0.06 0.77 -0.04 0.00 -0.67 0.00 0.00 178.83 178.95 1xjw h ALA 298 N 0.62 0.31 -0.10 3.87 0.00 -1.31 0.36 119.26 123.00 1xjw h ALA 298 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xjw h ALA 298 Cb 0.70 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1xjw h ALA 298 CO 0.04 -0.42 0.07 1.25 0.00 0.00 0.00 179.25 180.18 1xjw h LEU 299 N 0.06 0.12 -0.82 0.00 5.85 -1.46 0.86 115.31 119.91 1xjw h LEU 299 Ca 0.18 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 1xjw h LEU 299 Cb 0.27 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1xjw h LEU 299 CO -0.34 0.09 0.50 -0.07 -0.34 0.00 0.00 178.44 178.28 1xjw h LEU 300 N 0.13 0.99 -0.25 2.25 3.38 -0.87 -1.03 115.31 119.91 1xjw h LEU 300 Ca 0.04 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xjw h LEU 300 Cb -0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xjw h LEU 300 CO -0.01 0.76 0.12 0.00 0.09 0.00 0.00 178.44 179.40 1xjw h ALA 301 N 1.27 0.32 -0.10 1.53 0.00 0.16 -2.19 119.26 120.25 1xjw h ALA 301 Ca 0.30 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1xjw h ALA 301 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xjw h ALA 301 CO -0.06 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.25 178.64 1xjw h LEU 302 N 0.27 0.22 0.05 0.00 3.38 -0.57 -1.92 115.31 116.73 1xjw h LEU 302 Ca 0.09 -0.08 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 1xjw h LEU 302 Cb 0.13 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1xjw h LEU 302 CO -0.01 0.58 -1.12 0.58 0.09 0.00 0.00 178.44 178.57 1xjw h VAL 303 N 0.18 1.61 -0.27 1.22 2.07 -1.11 -2.99 116.25 116.96 1xjw h VAL 303 Ca 0.02 -3.27 0.00 0.00 0.82 0.00 0.00 66.70 64.27 1xjw h VAL 303 Cb 0.76 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 33.39 1xjw h VAL 303 CO 0.06 0.93 0.00 0.18 0.02 0.00 0.00 177.57 178.76 1xjw n LEU 304 N -3.40 3.13 -3.94 2.57 4.77 -0.83 -0.40 117.00 118.89 1xjw n LEU 304 Ca -0.04 -1.38 -0.28 0.00 -0.03 0.00 0.00 56.01 54.28 1xjw n LEU 304 Cb 0.97 -0.17 -0.17 0.00 -2.33 0.00 0.00 43.42 41.73 1xjw n LEU 304 CO 0.49 0.65 -0.45 0.20 -1.33 0.00 0.00 177.39 176.95 1xjw s ASN 305 N -1.46 2.41 0.08 -1.43 0.01 -0.72 -5.03 114.94 108.80 1xjw s ASN 305 Ca 0.32 -0.40 -0.23 0.00 -0.71 0.00 0.00 52.86 51.84 1xjw s ASN 305 Cb 0.19 -0.96 -0.15 0.00 0.41 0.00 0.00 41.25 40.75 1xjw s ASN 305 CO 0.28 -0.11 1.69 -0.09 -1.51 0.00 0.00 177.10 177.37 1xjw h ARG 306 N 8.13 0.03 -5.15 -0.60 2.43 -1.87 -3.42 114.38 113.93 1xjw h ARG 306 Ca -0.32 -0.00 -0.62 0.00 -0.81 0.00 0.00 59.98 58.23 1xjw h ARG 306 Cb 1.13 -0.01 -0.33 0.00 -0.42 0.00 0.00 29.97 30.34 1xjw h ARG 306 CO 0.45 0.07 -0.86 0.34 -1.51 0.00 0.00 179.97 178.46 1xjw s ASP 307 N -5.27 2.62 -0.08 -3.80 2.15 -1.26 -0.05 116.67 110.97 1xjw s ASP 307 Ca -0.13 -0.46 0.02 0.00 0.43 0.00 0.00 52.55 52.41 1xjw s ASP 307 Cb 0.06 -1.12 0.01 0.00 -0.30 0.00 0.00 42.92 41.57 1xjw s ASP 307 CO 0.67 0.13 -0.15 -0.22 -0.17 0.00 0.00 175.17 175.42 1xjw s LEU 308 N 0.37 1.74 -0.33 -1.34 2.96 -1.26 -5.05 118.68 115.77 1xjw s LEU 308 Ca -0.15 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.37 1xjw s LEU 308 Cb -0.16 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.62 1xjw s LEU 308 CO 0.06 0.05 0.12 0.54 -1.32 0.00 0.00 176.35 175.80 1xjw s VAL 309 N 0.72 0.96 0.00 1.68 0.11 -1.26 -5.11 120.40 117.49 1xjw s VAL 309 Ca -0.13 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 57.34 1xjw s VAL 309 Cb -0.16 -1.72 0.00 0.00 -1.53 0.00 0.00 36.38 32.97 1xjw s VAL 309 CO 0.03 -0.71 0.29 0.18 -3.33 0.00 0.00 175.10 171.56