#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 3.52 0.25 0.00 2.20 -0.74 -4.92 114.94 115.25 1xjw s ASN 2 Ca 0.00 2.28 -0.03 0.00 -0.94 0.00 0.00 52.86 54.17 1xjw s ASN 2 Cb 0.00 -2.58 0.51 0.00 -2.00 0.00 0.00 41.25 37.18 1xjw s ASN 2 CO 0.00 -2.71 1.71 -0.65 -2.94 0.00 0.00 177.10 172.51 1xjw h PRO 3 N -1.13 0.36 -0.25 3.55 0.11 -1.94 -2.70 132.00 130.00 1xjw h PRO 3 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xjw h PRO 3 Cb 1.28 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xjw h PRO 3 CO 0.45 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 179.76 1xjw n LEU 4 N -5.07 1.48 -4.73 2.35 4.77 -1.26 -4.87 117.00 109.67 1xjw n LEU 4 Ca 0.16 -0.71 -0.42 0.00 -0.03 0.00 0.00 56.01 55.00 1xjw n LEU 4 Cb 0.47 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1xjw n LEU 4 CO 0.15 0.36 1.30 -0.47 -1.33 0.00 0.00 177.39 177.40 1xjw s TYR 5 N -1.67 2.89 -1.11 -1.77 5.04 -1.02 -2.02 117.35 117.70 1xjw s TYR 5 Ca 0.22 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 1xjw s TYR 5 Cb 0.11 -4.07 0.00 0.00 0.35 0.00 0.00 41.96 38.35 1xjw s TYR 5 CO 0.16 -3.91 0.00 1.04 -1.34 0.00 0.00 175.55 171.49 1xjw n GLN 6 N 3.42 -1.56 -3.23 4.97 1.13 0.11 -4.94 117.38 117.28 1xjw n GLN 6 Ca 0.13 0.74 -0.37 0.00 -1.94 0.00 0.00 57.00 55.56 1xjw n GLN 6 Cb 0.36 -4.93 -0.06 0.00 0.11 0.00 0.00 30.24 25.73 1xjw n GLN 6 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1xjw s LYS 7 N -2.72 4.17 0.27 -1.09 2.47 -0.86 -4.73 119.74 117.26 1xjw s LYS 7 Ca 0.00 0.72 -0.29 0.00 -1.56 0.00 0.00 55.97 54.84 1xjw s LYS 7 Cb 0.00 -3.05 -0.09 0.00 -1.46 0.00 0.00 37.83 33.23 1xjw s LYS 7 CO 0.00 0.52 1.01 -1.01 0.16 0.00 0.00 175.35 176.03 1xjw s HIS 8 N -1.34 3.76 -0.75 4.03 3.76 -1.26 -4.67 115.29 118.82 1xjw s HIS 8 Ca 0.36 1.80 0.04 0.00 -0.15 0.00 0.00 55.06 57.11 1xjw s HIS 8 Cb -0.18 -3.11 0.18 0.00 1.11 0.00 0.00 32.58 30.59 1xjw s HIS 8 CO 0.20 -0.03 0.56 0.42 -0.85 0.00 0.00 174.74 175.04 1xjw s ILE 9 N -1.24 3.22 -0.25 0.60 -1.09 -0.69 -4.90 121.20 116.86 1xjw s ILE 9 Ca 0.44 -4.22 -0.15 0.00 -2.23 0.00 0.00 60.65 54.49 1xjw s ILE 9 Cb -0.28 -3.08 -0.16 0.00 -1.58 0.00 0.00 42.46 37.37 1xjw s ILE 9 CO 0.35 -1.03 -0.12 -0.38 -1.23 0.00 0.00 174.94 172.53 1xjw n ILE 10 N 2.02 1.54 -3.99 2.92 2.08 -1.26 -1.60 119.36 121.07 1xjw n ILE 10 Ca 0.20 -0.29 -0.14 0.00 0.56 0.00 0.00 62.75 63.08 1xjw n ILE 10 Cb 0.35 -1.89 -0.14 0.00 -0.75 0.00 0.00 39.64 37.21 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 -7.19 0.28 0.48 4.38 0.15 -1.26 -4.61 113.70 105.93 1xjw s SER 11 Ca -0.34 -0.04 0.32 0.00 0.70 0.00 0.00 55.95 56.59 1xjw s SER 11 Cb 0.11 -0.04 1.72 0.00 -1.71 0.00 0.00 66.02 66.10 1xjw s SER 11 CO 0.55 0.02 1.99 0.40 1.20 0.00 0.00 173.24 177.40 1xjw h ILE 12 N 5.17 0.00 0.00 6.45 5.03 -1.94 0.10 117.51 132.32 1xjw h ILE 12 Ca -0.27 -0.04 0.00 0.00 -0.12 0.00 0.00 64.86 64.43 1xjw h ILE 12 Cb 1.20 0.79 0.00 0.00 -3.03 0.00 0.00 36.82 35.77 1xjw h ILE 12 CO 0.50 0.00 0.00 -1.13 -0.68 0.00 0.00 178.15 176.84 1xjw h ASN 13 N 0.00 0.00 0.32 1.72 -0.00 -1.94 -2.59 115.58 113.09 1xjw h ASN 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1xjw h ASN 13 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.37 1xjw h ASN 13 CO 0.00 0.00 -1.05 0.47 -0.00 0.00 0.00 177.43 176.85 1xjw n ASP 14 N -2.61 0.63 -4.98 1.15 8.00 0.36 -4.95 116.55 114.15 1xjw n ASP 14 Ca 0.01 -0.35 -0.20 0.00 0.71 0.00 0.00 54.79 54.96 1xjw n ASP 14 Cb 0.26 0.88 0.03 0.00 -0.02 0.00 0.00 41.12 42.26 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 -3.72 3.43 0.27 0.64 1.43 -0.98 -5.08 118.68 114.67 1xjw s LEU 15 Ca 0.04 -0.05 0.09 0.00 -1.03 0.00 0.00 54.13 53.17 1xjw s LEU 15 Cb 0.15 -2.86 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 1xjw s LEU 15 CO 0.81 -0.98 -0.12 -0.94 0.23 0.00 0.00 176.35 175.35 1xjw s SER 16 N -4.37 3.07 0.52 2.29 1.04 -1.26 -4.99 113.70 109.98 1xjw s SER 16 Ca 0.55 -1.11 0.32 0.00 0.48 0.00 0.00 55.95 56.19 1xjw s SER 16 Cb -0.10 -0.22 1.45 0.00 0.10 0.00 0.00 66.02 67.24 1xjw s SER 16 CO 0.37 -0.18 1.83 -0.09 0.98 0.00 0.00 173.24 176.15 1xjw h ARG 17 N 2.31 0.07 -0.10 4.02 2.43 -1.95 0.12 114.38 121.28 1xjw h ARG 17 Ca -0.40 -0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.71 1xjw h ARG 17 Cb 1.24 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1xjw h ARG 17 CO 0.65 0.05 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.55 1xjw h ASP 18 N 0.07 0.32 -0.92 -3.80 3.32 -1.97 -1.12 116.42 112.32 1xjw h ASP 18 Ca 0.52 -0.53 0.02 0.00 0.02 0.00 0.00 57.03 57.06 1xjw h ASP 18 Cb 1.93 -0.09 -0.05 0.00 0.22 0.00 0.00 39.33 41.34 1xjw h ASP 18 CO -0.06 0.79 0.61 0.44 -1.72 0.00 0.00 179.24 179.30 1xjw h ASP 19 N -0.14 1.04 0.10 6.45 3.32 -1.19 -1.02 116.42 124.98 1xjw h ASP 19 Ca 0.01 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1xjw h ASP 19 Cb 0.72 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1xjw h ASP 19 CO 0.04 0.74 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.18 1xjw h LEU 20 N 1.22 -0.12 -1.35 1.55 3.38 -1.24 -2.14 115.31 116.61 1xjw h LEU 20 Ca 0.35 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1xjw h LEU 20 Cb -0.10 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 1xjw h LEU 20 CO -0.09 0.25 0.52 0.78 0.09 0.00 0.00 178.44 180.00 1xjw h ASN 21 N -0.50 0.65 0.01 -0.43 -0.26 -0.99 -0.71 115.58 113.35 1xjw h ASN 21 Ca -0.01 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1xjw h ASN 21 Cb 0.41 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1xjw h ASN 21 CO 0.02 0.38 -0.00 0.25 -1.06 0.00 0.00 177.43 177.02 1xjw h LEU 22 N 0.72 -0.01 -0.38 1.61 5.85 -1.09 -0.46 115.31 121.55 1xjw h LEU 22 Ca 0.37 -0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1xjw h LEU 22 Cb 0.48 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1xjw h LEU 22 CO -0.15 0.13 0.16 0.58 -0.34 0.00 0.00 178.44 178.82 1xjw h VAL 23 N -0.15 0.93 -0.47 1.05 2.07 -0.56 -1.16 116.25 117.95 1xjw h VAL 23 Ca -0.00 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1xjw h VAL 23 Cb 0.15 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1xjw h VAL 23 CO 0.00 0.06 0.12 -0.07 0.02 0.00 0.00 177.57 177.70 1xjw h LEU 24 N 0.33 0.71 -0.68 2.57 3.38 -1.07 0.17 115.31 120.72 1xjw h LEU 24 Ca 0.17 -0.23 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1xjw h LEU 24 Cb 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 1xjw h LEU 24 CO -0.15 0.75 0.44 0.00 0.09 0.00 0.00 178.44 179.57 1xjw h ALA 25 N 0.99 0.88 -0.47 1.53 0.00 -0.80 -0.02 119.26 121.36 1xjw h ALA 25 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xjw h ALA 25 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xjw h ALA 25 CO 0.00 0.24 -0.09 1.15 0.00 0.00 0.00 179.25 180.56 1xjw h THR 26 N 0.88 1.26 -0.64 0.00 2.02 -1.01 -1.58 112.91 113.84 1xjw h THR 26 Ca 0.26 -1.16 0.04 0.00 0.77 0.00 0.00 66.41 66.31 1xjw h THR 26 Cb -0.05 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1xjw h THR 26 CO -0.08 0.40 0.38 0.00 0.37 0.00 0.00 175.52 176.60 1xjw h ALA 27 N 1.14 0.84 -0.20 6.16 0.00 0.55 -0.66 119.26 127.08 1xjw h ALA 27 Ca 0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 1xjw h ALA 27 Cb 0.58 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1xjw h ALA 27 CO 0.04 0.11 -0.38 0.00 0.00 0.00 0.00 179.25 179.02 1xjw h ALA 28 N 1.29 0.99 -0.21 0.00 0.00 -0.64 -1.49 119.26 119.21 1xjw h ALA 28 Ca 0.26 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.61 1xjw h ALA 28 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1xjw h ALA 28 CO -0.12 0.61 -0.46 0.87 0.00 0.00 0.00 179.25 180.15 1xjw h LYS 29 N 0.36 0.67 -0.13 0.00 1.57 -0.79 -2.44 116.57 115.82 1xjw h LYS 29 Ca 0.04 -0.45 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 1xjw h LYS 29 Cb 0.83 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1xjw h LYS 29 CO 0.07 1.07 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.59 1xjw h LEU 30 N 0.37 0.28 -0.85 2.94 3.38 -1.07 0.54 115.31 120.91 1xjw h LEU 30 Ca 0.00 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 1xjw h LEU 30 Cb 1.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1xjw h LEU 30 CO 0.10 0.62 -0.20 0.50 0.09 0.00 0.00 178.44 179.55 1xjw h LYS 31 N 0.24 0.63 0.24 1.13 3.64 -1.24 -3.05 116.57 118.16 1xjw h LYS 31 Ca 0.03 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1xjw h LYS 31 Cb 0.74 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1xjw h LYS 31 CO 0.06 0.79 -0.11 0.00 -2.27 0.00 0.00 179.45 177.91 1xjw h ALA 32 N 1.22 -0.32 -3.08 5.00 0.00 -0.90 -3.42 119.26 117.76 1xjw h ALA 32 Ca 0.09 -0.20 -0.59 0.00 0.00 0.00 0.00 54.91 54.20 1xjw h ALA 32 Cb 0.65 0.12 -0.40 0.00 0.00 0.00 0.00 17.79 18.17 1xjw h ALA 32 CO 0.05 -0.42 -0.76 0.54 0.00 0.00 0.00 179.25 178.66 1xjw s ASN 33 N -5.27 3.87 0.54 0.00 2.20 0.12 -5.11 114.94 111.30 1xjw s ASN 33 Ca -0.13 -1.97 -0.20 0.00 -0.94 0.00 0.00 52.86 49.62 1xjw s ASN 33 Cb 0.01 -0.90 -0.07 0.00 -2.00 0.00 0.00 41.25 38.30 1xjw s ASN 33 CO 0.49 -0.37 0.96 -0.81 -2.94 0.00 0.00 177.10 174.44 1xjw n PRO 34 N 4.41 1.06 -3.59 3.55 -0.04 -1.15 -4.57 135.00 134.67 1xjw n PRO 34 Ca 0.02 0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 63.61 1xjw n PRO 34 Cb 0.39 -2.12 -0.10 0.00 -0.04 0.00 0.00 33.50 31.64 1xjw n PRO 34 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1xjw n GLN 35 N -0.57 1.36 -0.34 0.54 6.02 -1.26 -5.01 117.38 118.12 1xjw n GLN 35 Ca 0.12 -4.00 0.35 0.00 -0.01 0.00 0.00 57.00 53.46 1xjw n GLN 35 Cb 0.45 -1.98 0.58 0.00 1.02 0.00 0.00 30.24 30.31 1xjw n GLN 35 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1xjw h PRO 36 N 5.07 0.00 0.00 -1.09 0.11 -1.89 -1.79 132.00 132.41 1xjw h PRO 36 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1xjw h PRO 36 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xjw h PRO 36 CO 0.61 0.00 -0.04 0.39 -0.21 0.00 0.00 178.00 178.75 1xjw n GLU 37 N -3.52 1.83 -0.28 1.05 1.02 -1.26 -1.87 120.64 117.61 1xjw n GLU 37 Ca 0.28 -1.66 0.18 0.00 -0.02 0.00 0.00 57.16 55.95 1xjw n GLU 37 Cb 1.60 -1.05 0.46 0.00 -0.02 0.00 0.00 31.44 32.44 1xjw n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1xjw h LEU 38 N 0.00 0.51 -3.41 -4.62 6.46 -1.26 -0.81 115.31 112.17 1xjw h LEU 38 Ca 0.00 0.06 -0.19 0.00 -0.12 0.00 0.00 57.88 57.63 1xjw h LEU 38 Cb 0.79 -0.03 -0.11 0.00 -0.73 0.00 0.00 40.66 40.58 1xjw h LEU 38 CO 0.00 0.19 0.02 0.18 -0.62 0.00 0.00 178.44 178.20 1xjw n LEU 39 N -4.58 4.41 -4.72 2.25 4.77 0.23 -5.01 117.00 114.35 1xjw n LEU 39 Ca 0.21 -3.64 -0.43 0.00 -0.03 0.00 0.00 56.01 52.12 1xjw n LEU 39 Cb 0.69 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 1xjw n LEU 39 CO 0.28 1.15 1.13 1.17 -1.33 0.00 0.00 177.39 179.79 1xjw n LYS 40 N -1.02 2.43 -1.00 3.23 4.81 -0.31 -2.20 118.16 124.09 1xjw n LYS 40 Ca 0.35 0.86 0.00 0.00 -0.87 0.00 0.00 58.31 58.65 1xjw n LYS 40 Cb 1.09 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1xjw n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1xjw n HIS 41 N 1.86 0.00 -3.91 5.64 8.25 -1.26 -4.97 115.22 120.83 1xjw n HIS 41 Ca 0.09 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.21 1xjw n HIS 41 Cb 0.35 -0.03 -0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 -0.03 3.42 -0.17 -0.41 -0.14 -0.93 -5.00 119.74 116.48 1xjw s LYS 42 Ca 0.00 -0.31 0.01 0.00 -1.36 0.00 0.00 55.97 54.31 1xjw s LYS 42 Cb 0.00 -3.10 0.03 0.00 -1.68 0.00 0.00 37.83 33.08 1xjw s LYS 42 CO 0.00 0.69 -0.15 0.08 -0.76 0.00 0.00 175.35 175.20 1xjw s VAL 43 N -1.29 1.74 -0.09 3.17 1.01 -1.26 -0.35 120.40 123.33 1xjw s VAL 43 Ca 0.26 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 1xjw s VAL 43 Cb -0.13 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1xjw s VAL 43 CO 0.17 0.43 -0.03 -0.63 0.00 0.00 0.00 175.10 175.04 1xjw s ILE 44 N 1.41 4.06 -0.10 2.22 -1.09 0.27 -0.59 121.20 127.38 1xjw s ILE 44 Ca 0.04 -0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 57.94 1xjw s ILE 44 Cb -0.14 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.99 1xjw s ILE 44 CO -0.11 0.58 0.50 0.00 -1.23 0.00 0.00 174.94 174.69 1xjw s ALA 45 N -0.61 3.47 -0.41 9.38 0.00 -0.73 -0.91 121.76 131.94 1xjw s ALA 45 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 1xjw s ALA 45 Cb -0.12 -2.67 0.11 0.00 0.00 0.00 0.00 23.12 20.44 1xjw s ALA 45 CO 0.02 0.03 0.20 0.45 0.00 0.00 0.00 175.76 176.46 1xjw s SER 46 N 0.49 5.26 -0.45 0.00 0.15 0.21 -1.18 113.70 118.18 1xjw s SER 46 Ca 0.27 -2.02 -0.03 0.00 0.70 0.00 0.00 55.95 54.88 1xjw s SER 46 Cb -0.16 -1.83 0.12 0.00 -1.71 0.00 0.00 66.02 62.44 1xjw s SER 46 CO 0.12 -0.54 0.25 0.00 1.20 0.00 0.00 173.24 174.26 1xjw s PHE 48 N 0.88 3.18 -2.19 0.00 0.40 -0.61 -1.86 117.98 117.78 1xjw s PHE 48 Ca 0.10 -0.70 0.21 0.00 -0.60 0.00 0.00 56.93 55.94 1xjw s PHE 48 Cb -0.22 -2.35 0.53 0.00 0.51 0.00 0.00 43.02 41.49 1xjw s PHE 48 CO -0.04 -0.51 1.45 1.19 0.70 0.00 0.00 175.22 178.02 1xjw n PHE 49 N 4.97 0.65 -3.97 0.36 3.01 0.16 -3.20 117.46 119.44 1xjw n PHE 49 Ca -0.14 -0.32 -0.08 0.00 1.01 0.00 0.00 57.45 57.92 1xjw n PHE 49 Cb 0.48 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.87 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 -1.35 0.72 0.72 -1.08 2.12 -1.25 -4.52 118.70 114.06 1xjw s GLU 50 Ca 0.40 -1.07 -0.16 0.00 0.36 0.00 0.00 54.97 54.50 1xjw s GLU 50 Cb 0.22 0.27 0.03 0.00 0.26 0.00 0.00 34.13 34.91 1xjw s GLU 50 CO 0.29 -0.19 1.23 0.00 -0.54 0.00 0.00 175.26 176.05 1xjw s ALA 51 N -3.82 2.15 -0.28 6.30 0.00 -1.26 -4.93 121.76 119.92 1xjw s ALA 51 Ca 0.05 0.96 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 1xjw s ALA 51 Cb 0.06 -3.49 0.16 0.00 0.00 0.00 0.00 23.12 19.85 1xjw s ALA 51 CO -0.10 -1.85 1.25 0.45 0.00 0.00 0.00 175.76 175.50 1xjw s SER 52 N -1.87 -0.22 0.09 0.00 0.15 -1.26 -5.05 113.70 105.54 1xjw s SER 52 Ca 0.76 0.40 0.00 0.00 0.70 0.00 0.00 55.95 57.82 1xjw s SER 52 Cb -0.31 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1xjw s SER 52 CO 0.44 -0.10 0.00 0.41 1.20 0.00 0.00 173.24 175.20 1xjw n THR 53 N 1.65 1.05 0.16 6.45 -1.04 -1.26 -4.75 114.28 116.53 1xjw n THR 53 Ca -0.10 0.35 -0.10 0.00 -2.04 0.00 0.00 64.05 62.15 1xjw n THR 53 Cb 0.57 -1.54 -0.06 0.00 -1.82 0.00 0.00 70.33 67.48 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 -0.45 -0.06 -2.82 3.08 -1.98 -2.07 114.38 110.09 1xjw h ARG 54 Ca 0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1xjw h ARG 54 Cb 0.12 0.10 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 1xjw h ARG 54 CO 0.00 -0.18 -0.41 1.15 -1.07 0.00 0.00 179.97 179.46 1xjw h THR 55 N -1.03 0.16 0.12 2.04 2.02 -1.97 0.78 112.91 115.02 1xjw h THR 55 Ca -0.05 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1xjw h THR 55 Cb 0.48 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1xjw h THR 55 CO 0.08 0.00 -0.06 -0.09 0.37 0.00 0.00 175.52 175.82 1xjw h ARG 56 N -0.53 -0.15 -0.78 6.66 2.43 -1.86 -0.75 114.38 119.40 1xjw h ARG 56 Ca 0.06 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1xjw h ARG 56 Cb 0.64 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1xjw h ARG 56 CO -0.35 0.12 0.30 -0.07 -1.51 0.00 0.00 179.97 178.46 1xjw h LEU 57 N -0.42 1.09 -0.20 3.80 3.38 -1.18 0.71 115.31 122.50 1xjw h LEU 57 Ca -0.02 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1xjw h LEU 57 Cb 0.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1xjw h LEU 57 CO 0.03 0.98 -0.06 0.77 0.09 0.00 0.00 178.44 180.25 1xjw h SER 58 N 1.15 0.39 -0.10 -0.43 4.64 0.56 -0.22 113.55 119.54 1xjw h SER 58 Ca 0.26 -0.37 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1xjw h SER 58 Cb 0.24 -0.11 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 1xjw h SER 58 CO -0.02 0.68 -0.25 -0.26 -0.87 0.00 0.00 176.83 176.10 1xjw h PHE 59 N 0.10 -0.68 -0.41 4.77 0.04 -0.78 0.14 116.94 120.13 1xjw h PHE 59 Ca 0.05 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.79 1xjw h PHE 59 Cb 0.51 0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 1xjw h PHE 59 CO 0.05 -0.34 0.02 0.93 -0.60 0.00 0.00 178.31 178.37 1xjw h GLU 60 N -0.34 0.64 -0.56 1.51 5.08 -0.84 -1.49 114.58 118.58 1xjw h GLU 60 Ca 0.09 -0.15 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1xjw h GLU 60 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1xjw h GLU 60 CO -0.30 0.65 -0.02 1.15 -1.00 0.00 0.00 179.01 179.49 1xjw h THR 61 N 0.61 1.26 -0.62 1.13 2.02 -0.25 -2.48 112.91 114.57 1xjw h THR 61 Ca 0.13 -1.14 -0.00 0.00 0.77 0.00 0.00 66.41 66.17 1xjw h THR 61 Cb 0.36 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.59 1xjw h THR 61 CO 0.01 0.41 0.37 0.28 0.37 0.00 0.00 175.52 176.96 1xjw h SER 62 N 0.89 0.74 -0.69 4.18 0.02 -0.12 0.38 113.55 118.96 1xjw h SER 62 Ca 0.16 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1xjw h SER 62 Cb 0.55 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1xjw h SER 62 CO 0.03 0.58 0.45 0.24 -1.14 0.00 0.00 176.83 177.00 1xjw h MET 63 N 0.84 0.80 -0.03 3.45 2.07 -0.96 -2.11 114.93 119.00 1xjw h MET 63 Ca 0.22 -0.05 -0.22 0.00 -2.07 0.00 0.00 59.70 57.59 1xjw h MET 63 Cb -0.03 -0.18 0.02 0.00 -1.87 0.00 0.00 31.60 29.54 1xjw h MET 63 CO -0.04 0.53 -0.82 0.45 1.07 0.00 0.00 176.91 178.09 1xjw h HIS 64 N 0.82 0.88 -0.32 -0.22 3.86 -0.95 0.23 115.15 119.45 1xjw h HIS 64 Ca 0.27 -0.46 0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1xjw h HIS 64 Cb 0.07 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.42 1xjw h HIS 64 CO -0.00 1.29 0.30 0.00 0.86 0.00 0.00 177.93 180.38 1xjw h ARG 65 N 0.23 0.00 -0.68 2.45 -0.00 -0.37 0.17 114.38 116.18 1xjw h ARG 65 Ca -0.10 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.38 1xjw h ARG 65 Cb 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.46 1xjw h ARG 65 CO 0.16 0.00 0.00 1.28 0.00 0.00 0.00 179.97 181.41 1xjw n LEU 66 N -3.97 4.28 0.00 3.04 4.77 -0.85 -3.82 117.00 120.46 1xjw n LEU 66 Ca 0.05 -2.21 0.00 0.00 -0.03 0.00 0.00 56.01 53.82 1xjw n LEU 66 Cb 0.46 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1xjw n LEU 66 CO 0.30 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.87 1xjw n GLY 67 N 1.36 0.95 3.85 -0.72 0.00 0.58 0.76 105.19 111.97 1xjw n GLY 67 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.81 2.41 0.14 4.61 0.00 0.81 -4.11 121.76 121.80 1xjw s ALA 68 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.57 1xjw s ALA 68 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1xjw s ALA 68 CO 0.00 -1.71 0.04 -1.12 0.00 0.00 0.00 175.76 172.97 1xjw s SER 69 N -4.25 5.08 -0.08 0.00 0.01 0.52 -4.26 113.70 110.73 1xjw s SER 69 Ca 0.61 -0.24 0.04 0.00 1.31 0.00 0.00 55.95 57.67 1xjw s SER 69 Cb -0.13 -1.20 0.00 0.00 0.21 0.00 0.00 66.02 64.90 1xjw s SER 69 CO 0.52 0.12 -0.19 -0.69 0.41 0.00 0.00 173.24 173.41 1xjw s VAL 70 N -1.58 1.62 0.21 3.43 1.01 -1.26 -0.57 120.40 123.27 1xjw s VAL 70 Ca 0.28 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.55 1xjw s VAL 70 Cb -0.10 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1xjw s VAL 70 CO 0.20 0.46 -0.12 0.68 0.00 0.00 0.00 175.10 176.32 1xjw s VAL 71 N 0.37 1.62 -5.00 2.92 -7.23 -0.09 -4.96 120.40 108.02 1xjw s VAL 71 Ca -0.14 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 57.86 1xjw s VAL 71 Cb -0.16 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.69 1xjw s VAL 71 CO 0.06 -0.56 0.00 0.61 -0.31 0.00 0.00 175.10 174.90 1xjw n GLY 72 N -0.39 0.39 3.04 2.32 0.00 -1.26 0.65 105.19 109.94 1xjw n GLY 72 Ca -0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.66 0.07 -1.38 1.61 -0.12 -0.82 -4.96 117.98 109.72 1xjw s PHE 73 Ca 0.00 -0.16 0.19 0.00 -0.05 0.00 0.00 56.93 56.92 1xjw s PHE 73 Cb 0.00 -0.07 -0.10 0.00 -0.63 0.00 0.00 43.02 42.22 1xjw s PHE 73 CO 0.00 -0.20 0.91 -1.13 -0.05 0.00 0.00 175.22 174.75 1xjw n SER 74 N 1.88 1.41 -3.70 1.98 3.41 -1.26 -1.58 113.62 115.76 1xjw n SER 74 Ca -0.21 -1.20 -0.11 0.00 -0.26 0.00 0.00 58.87 57.09 1xjw n SER 74 Cb 0.56 0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 65.13 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 -2.51 -0.45 0.00 4.04 2.15 -1.19 -4.68 116.67 114.02 1xjw s ASP 75 Ca 0.12 0.80 0.20 0.00 0.43 0.00 0.00 52.55 54.09 1xjw s ASP 75 Cb 0.15 0.68 0.99 0.00 -0.30 0.00 0.00 42.92 44.45 1xjw s ASP 75 CO 0.64 -0.18 1.62 -1.54 -0.17 0.00 0.00 175.17 175.54 1xjw n SER 76 N 4.21 0.00 -0.33 -0.34 3.41 -1.26 -3.96 113.62 115.35 1xjw n SER 76 Ca -0.24 0.03 0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1xjw n SER 76 Cb 0.55 -0.30 0.33 0.00 -0.26 0.00 0.00 64.21 64.53 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 2.92 1.73 -0.42 7.33 0.00 -1.96 -2.30 119.26 126.56 1xjw h ALA 77 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xjw h ALA 77 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xjw h ALA 77 CO 0.00 -0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.29 1xjw n ASN 78 N -4.67 3.35 -4.86 0.00 4.13 -1.25 -4.22 115.26 107.74 1xjw n ASN 78 Ca 0.21 -1.95 -0.30 0.00 1.68 0.00 0.00 54.58 54.22 1xjw n ASN 78 Cb 0.53 -0.27 0.07 0.00 -1.54 0.00 0.00 39.78 38.56 1xjw n ASN 78 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1xjw s THR 79 N -1.26 3.08 -0.03 3.41 -4.23 -0.87 -4.92 115.64 110.82 1xjw s THR 79 Ca 0.36 0.35 0.27 0.00 -1.18 0.00 0.00 61.69 61.50 1xjw s THR 79 Cb 0.20 -3.27 0.32 0.00 1.34 0.00 0.00 72.50 71.09 1xjw s THR 79 CO 0.28 -0.46 1.82 0.28 -0.54 0.00 0.00 174.62 176.00 1xjw h SER 80 N -0.87 0.00 0.09 3.99 0.02 -1.92 -2.12 113.55 112.74 1xjw h SER 80 Ca -0.46 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1xjw h SER 80 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 1xjw h SER 80 CO 0.63 0.09 -0.29 0.25 -1.14 0.00 0.00 176.83 176.37 1xjw h LEU 81 N 0.00 0.32 0.00 5.07 6.46 -1.85 0.64 115.31 125.95 1xjw h LEU 81 Ca -0.00 -0.11 -0.16 0.00 -0.12 0.00 0.00 57.88 57.50 1xjw h LEU 81 Cb 0.74 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1xjw h LEU 81 CO 0.01 0.61 -0.78 1.23 -0.62 0.00 0.00 178.44 178.89 1xjw h GLY 82 N 1.04 0.00 0.00 3.75 0.00 -1.39 -3.35 103.07 103.13 1xjw h GLY 82 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1xjw h GLY 82 CO 0.05 0.00 -0.59 0.28 0.00 0.00 0.00 176.54 176.28 1xjw n LYS 83 N -3.26 3.01 -0.12 4.80 4.76 -1.05 -4.77 118.16 121.53 1xjw n LYS 83 Ca 0.00 -0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.49 1xjw n LYS 83 Cb 0.83 -0.81 0.11 0.00 -1.84 0.00 0.00 35.03 33.32 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 -1.30 2.52 -1.90 1.97 5.02 0.22 -4.99 118.16 119.69 1xjw n LYS 84 Ca -0.00 -2.10 -0.14 0.00 -2.02 0.00 0.00 58.31 54.05 1xjw n LYS 84 Cb 0.02 -1.31 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 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 -0.53 0.49 3.76 0.72 0.00 -1.20 -4.95 105.19 103.48 1xjw n GLY 85 Ca 0.10 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 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 -4.06 4.56 0.54 1.61 2.12 -1.23 -5.02 118.70 117.22 1xjw s GLU 86 Ca 0.00 1.62 -0.16 0.00 0.36 0.00 0.00 54.97 56.79 1xjw s GLU 86 Cb 0.00 -3.01 -0.07 0.00 0.26 0.00 0.00 34.13 31.32 1xjw s GLU 86 CO 0.00 0.19 1.00 0.95 -0.54 0.00 0.00 175.26 176.86 1xjw s THR 87 N -1.34 4.48 0.37 -1.70 -4.23 -1.26 -4.58 115.64 107.38 1xjw s THR 87 Ca 0.48 1.13 0.04 0.00 -1.18 0.00 0.00 61.69 62.16 1xjw s THR 87 Cb -0.27 -3.70 0.25 0.00 1.34 0.00 0.00 72.50 70.12 1xjw s THR 87 CO 0.34 -0.73 2.02 0.25 -0.54 0.00 0.00 174.62 175.96 1xjw h LEU 88 N 0.69 0.61 0.04 4.79 5.85 -1.98 -1.93 115.31 123.37 1xjw h LEU 88 Ca -0.46 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1xjw h LEU 88 Cb 1.19 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1xjw h LEU 88 CO 0.61 0.46 -0.03 0.00 -0.34 0.00 0.00 178.44 179.14 1xjw h ALA 89 N 1.65 -0.06 -0.24 1.25 0.00 -1.94 -0.38 119.26 119.54 1xjw h ALA 89 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1xjw h ALA 89 Cb -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1xjw h ALA 89 CO -0.04 -0.54 -0.20 -0.44 0.00 0.00 0.00 179.25 178.03 1xjw h ASP 90 N -0.07 0.43 0.51 0.00 5.19 -1.88 -0.39 116.42 120.20 1xjw h ASP 90 Ca 0.00 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.26 1xjw h ASP 90 Cb 0.07 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.47 1xjw h ASP 90 CO -0.01 0.64 -0.24 0.74 -3.12 0.00 0.00 179.24 177.25 1xjw h THR 91 N 0.39 0.49 0.00 0.35 2.02 -0.95 -2.10 112.91 113.11 1xjw h THR 91 Ca 0.07 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1xjw h THR 91 Cb 0.58 0.54 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1xjw h THR 91 CO 0.04 0.02 -0.02 0.40 0.37 0.00 0.00 175.52 176.33 1xjw h ILE 92 N -0.75 0.14 0.13 3.11 2.04 -0.88 -1.50 117.51 119.79 1xjw h ILE 92 Ca -0.07 -0.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1xjw h ILE 92 Cb 0.56 1.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1xjw h ILE 92 CO 0.11 0.02 -0.06 0.28 0.00 0.00 0.00 178.15 178.50 1xjw h SER 93 N 0.00 -0.15 -0.26 1.72 0.02 -0.43 -2.31 113.55 112.14 1xjw h SER 93 Ca -0.00 -0.36 -0.19 0.00 -0.84 0.00 0.00 61.79 60.41 1xjw h SER 93 Cb 0.19 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1xjw h SER 93 CO 0.00 0.31 -0.55 -0.37 -1.14 0.00 0.00 176.83 175.09 1xjw h VAL 94 N -0.65 1.28 -0.86 2.27 -1.51 -1.18 -3.18 116.25 112.42 1xjw h VAL 94 Ca -0.02 -1.74 0.04 0.00 -1.23 0.00 0.00 66.70 63.76 1xjw h VAL 94 Cb 0.49 1.64 -0.05 0.00 -2.13 0.00 0.00 31.29 31.24 1xjw h VAL 94 CO 0.03 0.57 0.55 0.40 -1.23 0.00 0.00 177.57 177.88 1xjw h ILE 95 N 0.66 1.11 0.00 7.19 1.08 -1.36 -1.14 117.51 125.04 1xjw h ILE 95 Ca 0.01 -0.36 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1xjw h ILE 95 Cb 1.16 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1xjw h ILE 95 CO 0.12 0.19 0.00 -1.54 -0.69 0.00 0.00 178.15 176.23 1xjw n SER 96 N -4.57 0.00 -1.04 1.72 3.41 -0.87 -1.42 113.62 110.85 1xjw n SER 96 Ca 0.11 -0.13 0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1xjw n SER 96 Cb 0.12 -0.13 0.25 0.00 -0.26 0.00 0.00 64.21 64.19 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 -1.13 0.98 -0.02 6.66 -2.24 -0.43 -4.51 114.28 113.59 1xjw n THR 97 Ca 0.07 -0.99 -0.03 0.00 -2.27 0.00 0.00 64.05 60.83 1xjw n THR 97 Cb 0.06 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.16 0.00 -4.07 4.78 4.01 -0.51 -5.10 117.16 117.44 1xjw n TYR 98 Ca 0.19 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.70 1xjw n TYR 98 Cb 0.54 -0.18 -0.06 0.00 -0.31 0.00 0.00 39.34 39.33 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 -2.09 2.98 -0.13 -0.72 -7.23 -1.18 -4.97 120.40 107.07 1xjw s VAL 99 Ca -0.06 -1.67 0.15 0.00 -1.81 0.00 0.00 61.98 58.60 1xjw s VAL 99 Cb 0.02 -2.99 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1xjw s VAL 99 CO 0.11 -0.16 1.17 0.44 -0.31 0.00 0.00 175.10 176.35 1xjw h ASP 100 N 1.51 0.00 -5.02 4.85 3.32 -1.22 -3.47 116.42 116.39 1xjw h ASP 100 Ca -0.44 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.55 1xjw h ASP 100 Cb 1.25 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.64 1xjw h ASP 100 CO 0.63 0.56 0.04 0.00 -1.72 0.00 0.00 179.24 178.75 1xjw s ALA 101 N -2.94 -1.35 -0.13 3.45 0.00 -1.25 -4.15 121.76 115.39 1xjw s ALA 101 Ca 0.01 0.65 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1xjw s ALA 101 Cb 0.08 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1xjw s ALA 101 CO 0.78 -0.49 -0.18 0.42 0.00 0.00 0.00 175.76 176.28 1xjw s ILE 102 N -2.33 1.78 -0.21 0.00 1.01 -0.11 -1.78 121.20 119.56 1xjw s ILE 102 Ca -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 60.65 59.75 1xjw s ILE 102 Cb -0.01 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1xjw s ILE 102 CO -0.01 0.49 -0.03 -0.69 0.00 0.00 0.00 174.94 174.71 1xjw s VAL 103 N 0.95 3.61 -0.00 2.92 1.01 -0.32 -0.08 120.40 128.49 1xjw s VAL 103 Ca -0.06 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1xjw s VAL 103 Cb -0.15 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1xjw s VAL 103 CO -0.03 0.43 -0.00 0.00 0.00 0.00 0.00 175.10 175.50 1xjw s MET 104 N 1.22 0.01 -0.07 2.72 0.00 -0.87 -0.17 119.30 122.14 1xjw s MET 104 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 55.69 55.75 1xjw s MET 104 Cb -0.14 -0.02 -0.02 0.00 0.00 0.00 0.00 34.83 34.65 1xjw s MET 104 CO -0.00 -0.00 -0.16 0.50 0.00 0.00 0.00 175.02 175.35 1xjw s ARG 105 N 0.03 2.77 0.01 3.16 3.52 -0.78 -0.74 118.95 126.93 1xjw s ARG 105 Ca -0.00 -0.74 -0.05 0.00 -0.13 0.00 0.00 55.73 54.81 1xjw s ARG 105 Cb -0.00 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 30.98 1xjw s ARG 105 CO -0.00 0.45 0.09 -1.58 -0.81 0.00 0.00 175.30 173.45 1xjw s HIS 106 N -0.29 0.11 -0.38 5.12 2.46 0.25 -0.66 115.29 121.90 1xjw s HIS 106 Ca 0.02 -0.27 0.26 0.00 0.47 0.00 0.00 55.06 55.54 1xjw s HIS 106 Cb -0.13 -0.09 1.01 0.00 -0.13 0.00 0.00 32.58 33.24 1xjw s HIS 106 CO 0.03 -0.27 1.78 -1.00 -2.47 0.00 0.00 174.74 172.81 1xjw h PRO 107 N 4.29 0.00 -5.65 2.88 0.13 -1.86 0.28 132.00 132.08 1xjw h PRO 107 Ca -0.31 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.16 1xjw h PRO 107 Cb 1.20 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 1xjw h PRO 107 CO 0.42 0.00 -0.63 -0.65 -0.23 0.00 0.00 178.00 176.90 1xjw s GLN 108 N -3.36 3.35 0.33 0.86 -0.21 -1.26 -3.93 119.66 115.45 1xjw s GLN 108 Ca 0.05 -0.44 -0.29 0.00 0.02 0.00 0.00 55.36 54.70 1xjw s GLN 108 Cb 0.09 -2.89 -0.12 0.00 1.00 0.00 0.00 33.01 31.10 1xjw s GLN 108 CO 0.48 0.48 1.39 0.39 -2.12 0.00 0.00 175.29 175.91 1xjw n GLU 109 N 2.82 2.33 -0.69 2.91 4.71 -1.26 -2.45 120.64 129.01 1xjw n GLU 109 Ca -0.18 0.82 0.00 0.00 -0.01 0.00 0.00 57.16 57.79 1xjw n GLU 109 Cb 0.53 -2.47 0.00 0.00 -1.01 0.00 0.00 31.44 28.49 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 1.01 0.97 0.24 0.62 0.00 -1.26 -4.94 105.19 101.83 1xjw n GLY 110 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.80 -0.66 4.61 0.00 -1.83 -0.62 119.26 121.55 1xjw h ALA 111 Ca 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1xjw h ALA 111 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1xjw h ALA 111 CO 0.00 0.07 0.13 0.00 0.00 0.00 0.00 179.25 179.45 1xjw h ALA 112 N 1.29 0.88 -0.33 0.00 0.00 -1.91 -2.13 119.26 117.05 1xjw h ALA 112 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1xjw h ALA 112 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xjw h ALA 112 CO -0.13 0.63 0.20 -0.09 0.00 0.00 0.00 179.25 179.87 1xjw h ARG 113 N 1.01 0.40 -0.93 0.00 9.65 -1.84 -2.33 114.38 120.34 1xjw h ARG 113 Ca 0.20 -0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.16 1xjw h ARG 113 Cb 0.42 -0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 28.84 1xjw h ARG 113 CO 0.01 0.27 0.60 1.25 2.80 0.00 0.00 179.97 184.89 1xjw h LEU 114 N 0.41 0.84 -0.58 3.80 7.12 -0.79 -2.49 115.31 123.63 1xjw h LEU 114 Ca 0.13 0.03 -0.04 0.00 0.13 0.00 0.00 57.88 58.12 1xjw h LEU 114 Cb -0.02 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 39.94 1xjw h LEU 114 CO -0.05 0.49 0.19 0.00 -0.13 0.00 0.00 178.44 178.94 1xjw h ALA 115 N 1.54 0.75 -0.02 1.25 0.00 -0.84 -2.45 119.26 119.50 1xjw h ALA 115 Ca 0.43 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xjw h ALA 115 Cb 0.42 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xjw h ALA 115 CO -0.20 0.41 0.04 1.79 0.00 0.00 0.00 179.25 181.29 1xjw h THR 116 N 0.81 0.28 -0.00 0.00 1.35 -1.23 0.24 112.91 114.35 1xjw h THR 116 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1xjw h THR 116 Cb 0.27 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1xjw h THR 116 CO -0.01 0.00 -0.02 -0.62 -0.25 0.00 0.00 175.52 174.63 1xjw n GLU 117 N -3.48 0.25 0.00 4.72 1.02 -0.92 -3.79 120.64 118.44 1xjw n GLU 117 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1xjw n GLU 117 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.37 0.00 1.58 -0.32 3.72 0.54 -4.81 117.46 116.81 1xjw n PHE 118 Ca 0.11 -0.02 0.06 0.00 -0.05 0.00 0.00 57.45 57.56 1xjw n PHE 118 Cb 0.29 -0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.02 0.79 0.00 4.37 3.41 0.42 -4.17 113.62 118.42 1xjw n SER 119 Ca 0.00 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.84 1xjw n SER 119 Cb 0.19 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.85 3.36 0.02 5.00 0.00 -1.26 -1.15 105.19 112.00 1xjw n GLY 120 Ca 0.10 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1xjw n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xjw n ASN 121 N 4.15 0.42 -4.70 1.61 6.94 -1.26 -4.88 115.26 117.54 1xjw n ASN 121 Ca 0.00 0.06 -0.42 0.00 -0.02 0.00 0.00 54.58 54.20 1xjw n ASN 121 Cb 0.00 -0.02 -0.03 0.00 -2.36 0.00 0.00 39.78 37.37 1xjw n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xjw s VAL 122 N -3.03 3.82 0.55 3.53 1.01 -0.30 -5.01 120.40 120.98 1xjw s VAL 122 Ca 0.11 1.24 -0.19 0.00 0.00 0.00 0.00 61.98 63.15 1xjw s VAL 122 Cb 0.17 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1xjw s VAL 122 CO 0.65 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.73 1xjw s PRO 123 N 1.85 3.36 -0.17 2.72 0.04 -1.26 -4.79 135.00 136.75 1xjw s PRO 123 Ca 0.61 1.50 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1xjw s PRO 123 Cb -0.31 -2.02 0.01 0.00 0.04 0.00 0.00 34.50 32.23 1xjw s PRO 123 CO 0.27 -0.82 -0.17 0.08 0.04 0.00 0.00 177.00 176.40 1xjw s VAL 124 N -1.94 2.36 -0.29 -0.36 1.01 -1.26 -0.94 120.40 118.98 1xjw s VAL 124 Ca 0.70 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.75 1xjw s VAL 124 Cb -0.21 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1xjw s VAL 124 CO 0.28 0.52 0.09 -0.76 0.00 0.00 0.00 175.10 175.24 1xjw s LEU 125 N 1.11 3.84 -0.45 3.92 1.43 0.89 -1.71 118.68 127.71 1xjw s LEU 125 Ca 0.00 -0.60 -0.28 0.00 -1.03 0.00 0.00 54.13 52.23 1xjw s LEU 125 Cb -0.14 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1xjw s LEU 125 CO -0.07 -0.17 1.53 0.21 0.23 0.00 0.00 176.35 178.08 1xjw s ASN 126 N 1.54 6.10 -0.02 2.29 2.47 -0.62 -2.04 114.94 124.66 1xjw s ASN 126 Ca 0.04 0.74 0.10 0.00 0.42 0.00 0.00 52.86 54.16 1xjw s ASN 126 Cb -0.17 -2.54 0.32 0.00 -1.45 0.00 0.00 41.25 37.42 1xjw s ASN 126 CO 0.03 -1.64 1.24 0.00 -3.72 0.00 0.00 177.10 173.01 1xjw n ALA 127 N 9.64 2.54 0.00 1.71 0.00 0.09 -4.27 120.51 130.22 1xjw n ALA 127 Ca 0.17 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1xjw n ALA 127 Cb 0.48 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.95 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 0.96 3.56 2.84 0.00 0.00 -1.24 -4.69 105.19 106.62 1xjw n GLY 128 Ca 0.12 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 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 4.19 1.42 1.61 -4.77 -1.14 -0.59 116.67 117.39 1xjw s ASP 129 Ca 0.00 -2.21 0.00 0.00 -3.30 0.00 0.00 52.55 47.04 1xjw s ASP 129 Cb 0.00 -1.23 0.00 0.00 -1.09 0.00 0.00 42.92 40.60 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 4.12 3.24 1.51 2.12 0.00 0.09 -1.08 105.19 115.19 1xjw n GLY 130 Ca 0.03 -0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 3.34 4.53 0.00 1.61 3.41 -1.26 -4.74 113.62 120.51 1xjw n SER 131 Ca 0.00 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.28 1xjw n SER 131 Cb 0.00 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 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 1.25 0.00 -4.91 4.04 5.15 -0.24 -4.18 115.26 116.36 1xjw n ASN 132 Ca 0.25 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 54.03 1xjw n ASN 132 Cb 0.82 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 40.04 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 0.04 2.62 -0.42 1.20 -1.52 -1.26 -4.51 119.66 115.82 1xjw s GLN 133 Ca 0.00 -1.45 0.05 0.00 -1.95 0.00 0.00 55.36 52.01 1xjw s GLN 133 Cb 0.00 -2.48 0.30 0.00 -0.22 0.00 0.00 33.01 30.61 1xjw s GLN 133 CO 0.00 -0.20 1.15 1.58 -0.25 0.00 0.00 175.29 177.57 1xjw n HIS 134 N -1.62 -2.15 -0.13 0.91 -0.00 -1.25 -2.88 115.22 108.10 1xjw n HIS 134 Ca 0.04 -1.55 -0.05 0.00 -0.00 0.00 0.00 57.72 56.16 1xjw n HIS 134 Cb 0.61 1.45 0.01 0.00 -0.00 0.00 0.00 29.99 32.06 1xjw n HIS 134 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1xjw h PRO 135 N 3.06 -0.14 0.00 1.57 0.13 -1.82 -2.01 132.00 132.80 1xjw h PRO 135 Ca -0.18 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 1xjw h PRO 135 Cb 1.12 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xjw h PRO 135 CO 0.11 -0.09 -0.05 1.79 -0.23 0.00 0.00 178.00 179.53 1xjw h THR 136 N -0.14 0.22 -0.02 1.56 1.35 -1.92 -0.58 112.91 113.36 1xjw h THR 136 Ca 0.21 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 65.66 1xjw h THR 136 Cb 0.47 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1xjw h THR 136 CO -0.53 0.05 -0.08 0.00 -0.25 0.00 0.00 175.52 174.71 1xjw h ALA 137 N 1.95 0.04 -0.83 6.62 0.00 -1.73 -2.71 119.26 122.60 1xjw h ALA 137 Ca -0.00 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1xjw h ALA 137 Cb 0.30 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1xjw h ALA 137 CO 0.01 -0.08 0.50 1.15 0.00 0.00 0.00 179.25 180.83 1xjw h THR 138 N -0.50 1.01 -0.51 0.00 2.02 -1.24 0.10 112.91 113.80 1xjw h THR 138 Ca -0.00 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.89 1xjw h THR 138 Cb 0.73 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 1xjw h THR 138 CO 0.02 0.17 0.34 -0.07 0.37 0.00 0.00 175.52 176.34 1xjw h LEU 139 N 0.91 0.50 0.00 2.58 3.38 -1.06 0.96 115.31 122.58 1xjw h LEU 139 Ca 0.37 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.21 1xjw h LEU 139 Cb 0.21 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1xjw h LEU 139 CO -0.19 0.35 -0.86 0.17 0.09 0.00 0.00 178.44 178.00 1xjw h LEU 140 N 0.58 0.00 -0.11 1.67 8.10 -0.86 -2.67 115.31 122.02 1xjw h LEU 140 Ca 0.20 0.00 -0.04 0.00 0.11 0.00 0.00 57.88 58.16 1xjw h LEU 140 Cb 0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.31 1xjw h LEU 140 CO -0.05 0.50 -0.07 0.44 -4.11 0.00 0.00 178.44 175.15 1xjw h ASP 141 N 0.00 0.26 -0.26 0.17 3.32 0.43 -0.90 116.42 119.44 1xjw h ASP 141 Ca -0.06 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.57 1xjw h ASP 141 Cb 1.44 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 1xjw h ASP 141 CO 0.05 0.64 0.10 -0.07 -1.72 0.00 0.00 179.24 178.25 1xjw h LEU 142 N -0.12 0.14 -0.03 1.55 3.38 -0.95 0.67 115.31 119.95 1xjw h LEU 142 Ca 0.02 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1xjw h LEU 142 Cb 0.55 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1xjw h LEU 142 CO 0.02 0.11 -0.30 0.15 0.09 0.00 0.00 178.44 178.51 1xjw h PHE 143 N 0.23 -0.82 -0.96 1.13 3.57 -1.41 0.79 116.94 119.48 1xjw h PHE 143 Ca 0.11 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1xjw h PHE 143 Cb 0.06 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.12 1xjw h PHE 143 CO -0.11 -0.39 0.63 1.15 -2.23 0.00 0.00 178.31 177.36 1xjw h THR 144 N -0.43 1.25 -0.18 4.41 2.02 -0.52 -0.49 112.91 118.97 1xjw h THR 144 Ca 0.07 -0.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 1xjw h THR 144 Cb 0.53 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.77 1xjw h THR 144 CO -0.27 0.24 0.09 0.40 0.37 0.00 0.00 175.52 176.35 1xjw h ILE 145 N 1.30 1.12 -0.54 3.11 2.04 0.12 -1.95 117.51 122.71 1xjw h ILE 145 Ca 0.35 -0.35 -0.09 0.00 1.00 0.00 0.00 64.86 65.77 1xjw h ILE 145 Cb -0.15 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1xjw h ILE 145 CO -0.08 0.12 -0.02 -0.61 0.00 0.00 0.00 178.15 177.56 1xjw h GLN 146 N 0.17 0.94 -0.31 2.37 4.15 -0.63 0.71 115.11 122.49 1xjw h GLN 146 Ca 0.06 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.18 1xjw h GLN 146 Cb 0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1xjw h GLN 146 CO -0.01 0.94 0.14 1.49 -1.93 0.00 0.00 178.83 179.47 1xjw h GLU 147 N 0.86 0.43 0.00 1.69 4.81 -0.89 0.25 114.58 121.73 1xjw h GLU 147 Ca 0.15 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1xjw h GLU 147 Cb 0.54 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1xjw h GLU 147 CO 0.03 0.35 -1.94 0.25 -0.73 0.00 0.00 179.01 176.96 1xjw n THR 148 N -4.43 0.43 0.43 0.32 -2.24 -0.75 -4.49 114.28 103.55 1xjw n THR 148 Ca 0.02 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.27 1xjw n THR 148 Cb 0.12 -0.18 -0.08 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.45 2.10 0.00 -0.78 1.13 0.21 -4.99 117.38 112.61 1xjw n GLN 149 Ca -0.10 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 54.93 1xjw n GLN 149 Cb 0.71 -1.16 0.00 0.00 0.11 0.00 0.00 30.24 29.90 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 1.43 2.96 3.56 1.08 0.00 0.07 -4.95 105.19 109.34 1xjw n GLY 150 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.28 1.85 0.00 1.61 1.70 -1.25 -4.97 118.95 117.61 1xjw s ARG 151 Ca 0.00 -1.57 0.00 0.00 -0.47 0.00 0.00 55.73 53.69 1xjw s ARG 151 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 34.95 34.86 1xjw s ARG 151 CO 0.00 -0.78 0.34 1.28 -1.08 0.00 0.00 175.30 175.06 1xjw n LEU 152 N -0.50 0.66 -4.83 -1.89 4.77 -1.26 -4.24 117.00 109.70 1xjw n LEU 152 Ca -0.01 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 54.97 1xjw n LEU 152 Cb 0.61 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.64 1xjw n LEU 152 CO 0.27 0.16 -0.21 -1.81 -1.33 0.00 0.00 177.39 174.47 1xjw s ASP 153 N -0.04 5.97 -0.89 -1.43 1.01 -1.26 -4.70 116.67 115.32 1xjw s ASP 153 Ca 0.00 0.26 -0.06 0.00 0.71 0.00 0.00 52.55 53.46 1xjw s ASP 153 Cb 0.00 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 42.12 1xjw s ASP 153 CO 0.00 0.30 0.73 0.59 0.21 0.00 0.00 175.17 177.01 1xjw n ASN 154 N 1.33 -6.49 -4.29 0.27 3.02 0.36 -4.91 115.26 104.55 1xjw n ASN 154 Ca -0.14 -0.56 -0.25 0.00 -0.03 0.00 0.00 54.58 53.60 1xjw n ASN 154 Cb 0.53 -4.13 -0.13 0.00 -0.61 0.00 0.00 39.78 35.45 1xjw n ASN 154 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xjw s LEU 155 N -4.96 2.28 -0.50 3.41 1.43 -1.20 -4.88 118.68 114.26 1xjw s LEU 155 Ca 0.18 -0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 52.45 1xjw s LEU 155 Cb -0.05 -0.93 0.09 0.00 0.03 0.00 0.00 46.19 45.33 1xjw s LEU 155 CO 0.80 0.09 0.45 -1.00 0.23 0.00 0.00 176.35 176.92 1xjw s HIS 156 N -1.10 3.22 -0.18 0.29 3.76 -1.26 0.16 115.29 120.19 1xjw s HIS 156 Ca 0.07 -1.00 -0.04 0.00 -0.15 0.00 0.00 55.06 53.94 1xjw s HIS 156 Cb -0.10 -3.40 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 1xjw s HIS 156 CO 0.04 -0.89 -0.03 0.08 -0.85 0.00 0.00 174.74 173.09 1xjw s VAL 157 N 1.74 3.83 -0.16 -0.90 1.01 0.28 -0.81 120.40 125.40 1xjw s VAL 157 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 1xjw s VAL 157 Cb -0.25 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1xjw s VAL 157 CO 0.06 0.46 -0.12 0.00 0.00 0.00 0.00 175.10 175.51 1xjw s ALA 158 N 0.69 2.64 -0.24 5.51 0.00 -0.69 -0.17 121.76 129.50 1xjw s ALA 158 Ca -0.02 -1.00 0.01 0.00 0.00 0.00 0.00 51.96 50.95 1xjw s ALA 158 Cb -0.14 -1.34 0.04 0.00 0.00 0.00 0.00 23.12 21.68 1xjw s ALA 158 CO 0.02 0.00 -0.11 -1.64 0.00 0.00 0.00 175.76 174.04 1xjw s MET 159 N 0.75 2.66 0.04 0.00 -1.94 -0.44 0.16 119.30 120.53 1xjw s MET 159 Ca -0.05 -1.08 0.05 0.00 -1.71 0.00 0.00 55.69 52.90 1xjw s MET 159 Cb -0.15 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.79 1xjw s MET 159 CO 0.01 -0.42 -0.07 0.08 -0.01 0.00 0.00 175.02 174.61 1xjw s VAL 160 N 1.24 3.58 -0.06 -6.03 1.01 -0.72 -1.62 120.40 117.80 1xjw s VAL 160 Ca -0.02 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.02 1xjw s VAL 160 Cb -0.17 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1xjw s VAL 160 CO -0.07 0.29 0.00 0.61 0.00 0.00 0.00 175.10 175.93 1xjw n GLY 161 N 1.22 0.09 3.41 4.51 0.00 -0.82 -1.41 105.19 112.19 1xjw n GLY 161 Ca -0.14 -1.87 -0.44 0.00 0.00 0.00 0.00 46.02 43.56 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 -4.26 116.67 114.15 1xjw s ASP 162 Ca 0.00 -1.45 0.21 0.00 -0.52 0.00 0.00 52.55 50.79 1xjw s ASP 162 Cb 0.00 -2.36 -0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1xjw s ASP 162 CO 0.00 -1.20 1.06 -0.07 0.52 0.00 0.00 175.17 175.48 1xjw h LEU 163 N 10.44 0.00 -0.38 -1.34 3.38 -1.61 -2.59 115.31 123.21 1xjw h LEU 163 Ca -0.19 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1xjw h LEU 163 Cb 1.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xjw h LEU 163 CO 1.12 0.18 -0.18 0.50 0.09 0.00 0.00 178.44 180.15 1xjw h LYS 164 N 0.00 0.79 0.00 1.13 3.64 -1.15 -3.33 116.57 117.65 1xjw h LYS 164 Ca -0.04 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1xjw h LYS 164 Cb 1.18 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1xjw h LYS 164 CO 0.02 0.97 -0.86 0.66 -2.27 0.00 0.00 179.45 177.96 1xjw n TYR 165 N -4.27 0.00 -2.02 1.91 4.01 -1.26 -4.82 117.16 110.71 1xjw n TYR 165 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.36 1xjw n TYR 165 Cb 0.41 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.36 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 -2.65 0.15 0.55 2.72 0.00 -0.98 -4.63 107.32 102.48 1xjw s GLY 166 Ca 0.04 -0.79 0.28 0.00 0.00 0.00 0.00 44.72 44.25 1xjw s GLY 166 CO 0.64 3.47 2.14 0.07 0.00 0.00 0.00 173.10 179.43 1xjw h ARG 167 N 14.45 0.00 -0.01 2.90 0.11 -1.79 -2.20 114.38 127.85 1xjw h ARG 167 Ca -0.19 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.89 1xjw h ARG 167 Cb 1.14 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.22 1xjw h ARG 167 CO 1.21 0.08 -0.00 1.79 0.10 0.00 0.00 179.97 183.15 1xjw h THR 168 N 0.00 1.26 0.00 0.08 1.35 -1.86 -2.58 112.91 111.16 1xjw h THR 168 Ca -0.00 -0.76 -0.06 0.00 -0.55 0.00 0.00 66.41 65.05 1xjw h THR 168 Cb 0.21 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.37 1xjw h THR 168 CO 0.01 0.20 -0.27 -0.37 -0.25 0.00 0.00 175.52 174.84 1xjw h VAL 169 N -0.30 1.01 0.28 6.82 -1.51 -1.82 0.34 116.25 121.08 1xjw h VAL 169 Ca 0.00 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 1xjw h VAL 169 Cb 0.32 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1xjw h VAL 169 CO 0.00 0.26 -0.14 0.45 -1.23 0.00 0.00 177.57 176.92 1xjw h HIS 170 N 0.00 -0.35 0.34 5.19 -0.00 -1.27 0.03 115.15 119.08 1xjw h HIS 170 Ca -0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.34 1xjw h HIS 170 Cb 0.53 0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 1xjw h HIS 170 CO 0.00 -0.14 -0.16 0.77 -0.00 0.00 0.00 177.93 178.39 1xjw h SER 171 N -0.49 -0.39 -0.55 2.45 0.02 -1.25 -2.73 113.55 110.62 1xjw h SER 171 Ca -0.04 -0.08 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1xjw h SER 171 Cb 0.37 0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.96 1xjw h SER 171 CO 0.06 -0.16 0.28 0.25 -1.14 0.00 0.00 176.83 176.13 1xjw h LEU 172 N -0.61 0.40 -1.46 5.07 5.85 -0.95 -0.61 115.31 123.00 1xjw h LEU 172 Ca -0.05 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1xjw h LEU 172 Cb 0.44 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 1xjw h LEU 172 CO 0.08 0.27 0.14 0.74 -0.34 0.00 0.00 178.44 179.33 1xjw h THR 173 N 0.53 1.14 -0.01 1.05 2.02 -0.99 -1.34 112.91 115.32 1xjw h THR 173 Ca 0.24 -0.44 -0.18 0.00 0.77 0.00 0.00 66.41 66.80 1xjw h THR 173 Cb 0.16 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1xjw h THR 173 CO -0.17 0.17 -0.80 1.56 0.37 0.00 0.00 175.52 176.65 1xjw h GLN 174 N 0.51 0.17 0.41 6.66 4.20 -1.02 -2.96 115.11 123.08 1xjw h GLN 174 Ca 0.13 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 1xjw h GLN 174 Cb 0.11 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1xjw h GLN 174 CO -0.01 0.88 -0.20 0.00 -0.67 0.00 0.00 178.83 178.83 1xjw h ALA 175 N 1.07 -0.55 0.00 3.87 0.00 -0.17 -3.07 119.26 120.41 1xjw h ALA 175 Ca -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xjw h ALA 175 Cb 1.39 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1xjw h ALA 175 CO 0.12 -0.63 -0.00 -0.07 0.00 0.00 0.00 179.25 178.66 1xjw h LEU 176 N -0.89 0.00 0.00 0.00 3.38 -1.38 0.20 115.31 116.62 1xjw h LEU 176 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1xjw h LEU 176 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1xjw h LEU 176 CO 0.09 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1xjw n ALA 177 N -2.10 2.33 0.91 1.53 0.00 -1.12 -2.34 120.51 119.73 1xjw n ALA 177 Ca -0.02 -0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1xjw n ALA 177 Cb 0.11 -1.44 0.24 0.00 0.00 0.00 0.00 19.45 18.36 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 -1.33 0.06 -3.32 0.00 5.02 0.06 -4.88 118.16 113.77 1xjw n LYS 178 Ca 0.12 0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.22 1xjw n LYS 178 Cb 0.24 -1.53 0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1xjw n LYS 178 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1xjw s PHE 179 N -3.03 2.28 0.12 2.13 0.08 -0.99 -4.82 117.98 113.74 1xjw s PHE 179 Ca 0.10 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.61 1xjw s PHE 179 Cb 0.17 -2.21 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 1xjw s PHE 179 CO 0.70 -0.50 0.20 -0.51 -0.10 0.00 0.00 175.22 175.00 1xjw s ASP 180 N -4.34 6.00 -1.93 1.36 1.01 -1.26 -4.61 116.67 112.90 1xjw s ASP 180 Ca 0.51 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.86 1xjw s ASP 180 Cb -0.06 -1.73 0.00 0.00 1.01 0.00 0.00 42.92 42.14 1xjw s ASP 180 CO 0.31 0.10 0.00 0.61 0.21 0.00 0.00 175.17 176.40 1xjw n GLY 181 N -0.14 1.14 3.74 0.21 0.00 -1.26 0.14 105.19 109.01 1xjw n GLY 181 Ca -0.07 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.58 7.20 -0.25 1.61 0.01 -1.26 -3.25 114.94 116.42 1xjw s ASN 182 Ca 0.00 1.44 -0.07 0.00 -0.71 0.00 0.00 52.86 53.52 1xjw s ASN 182 Cb 0.00 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 1xjw s ASN 182 CO 0.00 -0.04 0.06 -0.60 -1.51 0.00 0.00 177.10 175.01 1xjw s ARG 183 N 0.20 3.63 -0.03 -0.60 6.06 0.43 -4.45 118.95 124.19 1xjw s ARG 183 Ca 0.40 -0.49 -0.03 0.00 -2.50 0.00 0.00 55.73 53.11 1xjw s ARG 183 Cb -0.20 -3.30 -0.04 0.00 0.06 0.00 0.00 34.95 31.46 1xjw s ARG 183 CO 0.23 -0.19 0.17 -0.06 -2.50 0.00 0.00 175.30 172.95 1xjw s PHE 184 N 1.61 3.56 -0.18 5.12 0.08 -0.93 0.10 117.98 127.33 1xjw s PHE 184 Ca 0.06 0.39 -0.03 0.00 0.12 0.00 0.00 56.93 57.47 1xjw s PHE 184 Cb -0.15 -1.85 0.06 0.00 -0.57 0.00 0.00 43.02 40.51 1xjw s PHE 184 CO 0.03 0.66 0.05 0.71 -0.10 0.00 0.00 175.22 176.58 1xjw s TYR 185 N -1.27 0.78 -0.28 0.36 1.51 0.77 -2.71 117.35 116.51 1xjw s TYR 185 Ca 0.25 -0.68 -0.13 0.00 -1.01 0.00 0.00 57.07 55.49 1xjw s TYR 185 Cb -0.13 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1xjw s TYR 185 CO 0.16 -0.57 0.30 -0.06 -1.11 0.00 0.00 175.55 174.27 1xjw s PHE 186 N 1.94 3.23 -0.53 2.71 0.08 -0.74 -1.32 117.98 123.35 1xjw s PHE 186 Ca 0.00 0.25 0.04 0.00 0.12 0.00 0.00 56.93 57.34 1xjw s PHE 186 Cb -0.17 -2.50 0.13 0.00 -0.57 0.00 0.00 43.02 39.91 1xjw s PHE 186 CO -0.08 -0.22 0.28 0.42 -0.10 0.00 0.00 175.22 175.51 1xjw s ILE 187 N 1.94 2.63 0.04 0.64 1.01 -0.64 -1.96 121.20 124.86 1xjw s ILE 187 Ca 0.11 -3.37 -0.01 0.00 0.00 0.00 0.00 60.65 57.39 1xjw s ILE 187 Cb -0.16 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.46 1xjw s ILE 187 CO 0.10 -0.81 -0.02 0.00 0.00 0.00 0.00 174.94 174.21 1xjw s ALA 188 N -0.35 0.32 0.79 9.38 0.00 -1.26 -1.95 121.76 128.69 1xjw s ALA 188 Ca 0.17 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 51.10 1xjw s ALA 188 Cb -0.25 0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.16 1xjw s ALA 188 CO -0.01 -0.28 1.13 -1.25 0.00 0.00 0.00 175.76 175.35 1xjw s PRO 189 N -2.82 1.96 0.20 0.00 0.04 -1.26 -4.80 135.00 128.32 1xjw s PRO 189 Ca -0.03 1.39 -0.10 0.00 0.04 0.00 0.00 61.00 62.30 1xjw s PRO 189 Cb -0.00 -1.85 0.25 0.00 0.04 0.00 0.00 34.50 32.94 1xjw s PRO 189 CO -0.06 -1.90 1.74 -0.44 0.04 0.00 0.00 177.00 176.38 1xjw h ASP 190 N -1.06 0.19 0.70 6.66 5.19 -2.00 -2.10 116.42 124.00 1xjw h ASP 190 Ca -0.44 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.03 1xjw h ASP 190 Cb 1.25 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.83 1xjw h ASP 190 CO 0.49 0.12 -0.07 0.00 -3.12 0.00 0.00 179.24 176.65 1xjw h ALA 191 N 1.40 1.07 -0.45 3.45 0.00 -2.01 -2.96 119.26 119.75 1xjw h ALA 191 Ca 0.29 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 1xjw h ALA 191 Cb 0.35 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 1xjw h ALA 191 CO -0.30 0.09 -0.04 1.28 0.00 0.00 0.00 179.25 180.28 1xjw n LEU 192 N -3.27 4.52 -4.75 0.00 4.77 -0.81 -4.94 117.00 112.51 1xjw n LEU 192 Ca -0.01 -3.87 -0.33 0.00 -0.03 0.00 0.00 56.01 51.78 1xjw n LEU 192 Cb 0.28 -0.65 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 1xjw n LEU 192 CO 0.28 1.32 0.74 0.00 -1.33 0.00 0.00 177.39 178.40 1xjw s ALA 193 N -3.31 2.29 0.30 -1.18 0.00 -1.06 -1.36 121.76 117.43 1xjw s ALA 193 Ca 0.47 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 1xjw s ALA 193 Cb 0.42 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 20.07 1xjw s ALA 193 CO 0.00 -1.60 1.38 -0.12 0.00 0.00 0.00 175.76 175.42 1xjw n MET 194 N -2.87 2.17 -1.35 0.00 1.56 -1.26 -3.10 117.12 112.27 1xjw n MET 194 Ca 0.11 0.77 -0.34 0.00 -0.27 0.00 0.00 57.70 57.96 1xjw n MET 194 Cb 0.52 -2.40 0.10 0.00 2.15 0.00 0.00 33.22 33.59 1xjw n MET 194 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 1xjw s PRO 195 N -1.15 1.99 0.09 2.12 0.02 -1.26 -4.90 135.00 131.91 1xjw s PRO 195 Ca 0.61 1.82 -0.26 0.00 0.02 0.00 0.00 61.00 63.19 1xjw s PRO 195 Cb -0.59 -1.81 -0.16 0.00 0.02 0.00 0.00 34.50 31.96 1xjw s PRO 195 CO 0.56 -1.96 1.70 1.96 -0.33 0.00 0.00 177.00 178.93 1xjw h GLN 196 N -0.41 -0.28 -1.22 5.54 1.08 -2.00 -2.87 115.11 114.96 1xjw h GLN 196 Ca -0.48 0.02 0.35 0.00 -1.45 0.00 0.00 58.65 57.09 1xjw h GLN 196 Cb 1.30 0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.72 1xjw h GLN 196 CO 0.49 -0.18 0.84 0.10 -0.95 0.00 0.00 178.83 179.12 1xjw h TYR 197 N -0.29 0.27 -0.06 2.96 -0.00 -1.99 0.35 116.97 118.21 1xjw h TYR 197 Ca -0.03 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.58 1xjw h TYR 197 Cb 0.23 -0.08 0.01 0.00 0.00 0.00 0.00 36.73 36.89 1xjw h TYR 197 CO -0.07 -0.01 -0.47 0.82 -0.00 0.00 0.00 178.16 178.43 1xjw h ILE 198 N 0.13 1.41 -0.69 -0.90 2.04 -1.89 -2.51 117.51 115.10 1xjw h ILE 198 Ca 0.63 -1.88 -0.04 0.00 1.00 0.00 0.00 64.86 64.57 1xjw h ILE 198 Cb 2.18 2.38 -0.03 0.00 -0.74 0.00 0.00 36.82 40.61 1xjw h ILE 198 CO -0.15 0.55 0.28 -0.07 0.00 0.00 0.00 178.15 178.76 1xjw h LEU 199 N -0.05 0.96 0.19 1.44 3.38 -0.34 -1.61 115.31 119.28 1xjw h LEU 199 Ca -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1xjw h LEU 199 Cb 1.14 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1xjw h LEU 199 CO 0.10 0.86 -0.12 0.44 0.09 0.00 0.00 178.44 179.81 1xjw h ASP 200 N 0.99 -0.31 -1.00 -0.43 3.32 -0.83 0.50 116.42 118.66 1xjw h ASP 200 Ca 0.23 0.02 0.24 0.00 0.02 0.00 0.00 57.03 57.54 1xjw h ASP 200 Cb 0.20 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 39.76 1xjw h ASP 200 CO -0.02 -0.20 0.64 -0.03 -1.72 0.00 0.00 179.24 177.92 1xjw h MET 201 N -0.31 0.44 -0.17 3.56 1.85 -1.18 0.46 114.93 119.58 1xjw h MET 201 Ca -0.02 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 58.97 1xjw h MET 201 Cb 0.26 -0.10 -0.00 0.00 0.43 0.00 0.00 31.60 32.19 1xjw h MET 201 CO 0.01 0.29 -0.20 -0.07 -0.40 0.00 0.00 176.91 176.54 1xjw h LEU 202 N 0.45 0.46 0.73 3.39 3.38 -0.25 -2.96 115.31 120.52 1xjw h LEU 202 Ca 0.56 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1xjw h LEU 202 Cb 1.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1xjw h LEU 202 CO -0.28 0.87 -0.39 0.44 0.09 0.00 0.00 178.44 179.16 1xjw h ASP 203 N 0.07 -0.96 -0.99 -0.43 3.32 0.10 0.43 116.42 117.97 1xjw h ASP 203 Ca 0.02 0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.24 1xjw h ASP 203 Cb 0.75 0.27 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 1xjw h ASP 203 CO 0.05 -0.64 -0.47 -0.33 -1.72 0.00 0.00 179.24 176.12 1xjw h GLU 204 N -1.04 -0.01 -0.10 3.56 5.08 -1.07 1.30 114.58 122.31 1xjw h GLU 204 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1xjw h GLU 204 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1xjw h GLU 204 CO 0.13 -0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.77 1xjw n LYS 205 N -5.38 0.75 -1.81 2.33 5.02 -1.12 -4.84 118.16 113.11 1xjw n LYS 205 Ca 0.07 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.15 1xjw n LYS 205 Cb 0.34 -1.05 -0.07 0.00 -0.02 0.00 0.00 35.03 34.23 1xjw n LYS 205 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xjw n GLY 206 N 0.23 1.31 3.79 0.72 0.00 0.45 -4.96 105.19 106.73 1xjw n GLY 206 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.83 3.90 -0.14 -0.61 1.01 0.11 -5.00 121.20 117.65 1xjw s ILE 207 Ca 0.00 1.42 -0.16 0.00 0.00 0.00 0.00 60.65 61.91 1xjw s ILE 207 Cb 0.00 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1xjw s ILE 207 CO 0.00 -0.03 0.40 0.00 0.00 0.00 0.00 174.94 175.31 1xjw s ALA 208 N -1.74 3.52 0.04 9.38 0.00 -1.26 -4.51 121.76 127.20 1xjw s ALA 208 Ca 0.58 -0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.20 1xjw s ALA 208 Cb -0.19 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1xjw s ALA 208 CO 0.24 0.04 0.05 1.67 0.00 0.00 0.00 175.76 177.77 1xjw s TRP 209 N 0.56 0.28 -0.12 0.00 1.48 -1.26 -2.19 118.94 117.68 1xjw s TRP 209 Ca 0.22 -0.63 -0.19 0.00 -1.06 0.00 0.00 56.10 54.43 1xjw s TRP 209 Cb -0.14 -0.20 0.05 0.00 -1.16 0.00 0.00 33.47 32.02 1xjw s TRP 209 CO 0.07 -0.35 0.49 -1.54 -4.06 0.00 0.00 176.95 171.57 1xjw s SER 210 N -2.21 -0.47 0.23 -2.66 1.04 -1.10 -5.02 113.70 103.52 1xjw s SER 210 Ca -0.04 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 56.96 1xjw s SER 210 Cb -0.00 0.76 -0.08 0.00 0.10 0.00 0.00 66.02 66.79 1xjw s SER 210 CO -0.05 -0.33 0.66 -0.76 0.98 0.00 0.00 173.24 173.74 1xjw s LEU 211 N -0.41 4.24 -0.03 2.42 1.43 -1.26 -1.79 118.68 123.28 1xjw s LEU 211 Ca -0.06 1.24 -0.02 0.00 -1.03 0.00 0.00 54.13 54.26 1xjw s LEU 211 Cb -0.03 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1xjw s LEU 211 CO 0.03 -0.03 0.07 -1.00 0.23 0.00 0.00 176.35 175.65 1xjw s HIS 212 N -1.68 -0.06 -0.59 0.29 3.76 -0.83 -4.93 115.29 111.25 1xjw s HIS 212 Ca 0.45 0.19 0.25 0.00 -0.15 0.00 0.00 55.06 55.81 1xjw s HIS 212 Cb -0.14 -0.02 0.74 0.00 1.11 0.00 0.00 32.58 34.27 1xjw s HIS 212 CO 0.20 -0.05 1.74 0.77 -0.85 0.00 0.00 174.74 176.54 1xjw h SER 213 N 6.35 0.00 -5.14 1.40 0.02 -1.96 -3.39 113.55 110.83 1xjw h SER 213 Ca -0.29 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 1xjw h SER 213 Cb 1.19 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.57 1xjw h SER 213 CO 0.47 0.00 -0.47 -0.94 -1.14 0.00 0.00 176.83 174.75 1xjw s SER 214 N -4.98 0.19 0.05 3.07 1.04 -1.26 -5.02 113.70 106.80 1xjw s SER 214 Ca 0.09 -0.65 -0.22 0.00 0.48 0.00 0.00 55.95 55.65 1xjw s SER 214 Cb 0.10 0.28 -0.14 0.00 0.10 0.00 0.00 66.02 66.36 1xjw s SER 214 CO 0.59 -0.62 1.45 0.40 0.98 0.00 0.00 173.24 176.04 1xjw h ILE 215 N 3.17 1.27 -0.45 -1.02 5.03 -1.98 -2.98 117.51 120.54 1xjw h ILE 215 Ca -0.33 -0.90 0.13 0.00 -0.12 0.00 0.00 64.86 63.64 1xjw h ILE 215 Cb 1.18 1.63 -0.02 0.00 -3.03 0.00 0.00 36.82 36.58 1xjw h ILE 215 CO 0.55 0.26 0.39 1.05 -0.68 0.00 0.00 178.15 179.72 1xjw h GLU 216 N -0.07 0.00 0.00 2.37 4.11 -1.96 -0.06 114.58 118.96 1xjw h GLU 216 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 1xjw h GLU 216 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1xjw h GLU 216 CO 0.01 0.00 0.00 -1.91 0.07 0.00 0.00 179.01 177.18 1xjw n GLU 217 N -4.06 0.00 0.00 1.06 2.13 -1.13 -3.28 120.64 115.37 1xjw n GLU 217 Ca 0.08 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.23 1xjw n GLU 217 Cb 0.59 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.79 1xjw n GLU 217 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1xjw n VAL 218 N -1.52 0.00 -0.10 6.31 0.24 -0.18 -4.90 118.33 118.18 1xjw n VAL 218 Ca 0.02 0.00 0.26 0.00 -2.04 0.00 0.00 64.34 62.58 1xjw n VAL 218 Cb 0.12 1.67 0.72 0.00 -1.47 0.00 0.00 33.84 34.88 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 0.00 0.00 0.00 7.34 4.05 -1.15 -1.72 114.93 123.46 1xjw h MET 219 Ca 0.00 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.31 1xjw h MET 219 Cb 0.38 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1xjw h MET 219 CO 0.00 0.00 -0.63 0.00 0.23 0.00 0.00 176.91 176.51 1xjw h ALA 220 N 1.52 0.66 -0.22 0.39 0.00 -1.81 -3.37 119.26 116.43 1xjw h ALA 220 Ca 0.35 -0.51 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 1xjw h ALA 220 Cb 1.53 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.22 1xjw h ALA 220 CO -0.00 0.67 -0.21 -0.85 0.00 0.00 0.00 179.25 178.85 1xjw n GLU 221 N -3.18 1.78 -5.03 0.00 0.28 -0.65 -4.49 120.64 109.35 1xjw n GLU 221 Ca 0.01 -3.19 -0.32 0.00 -0.16 0.00 0.00 57.16 53.50 1xjw n GLU 221 Cb 0.75 -1.74 -0.14 0.00 1.43 0.00 0.00 31.44 31.74 1xjw n GLU 221 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 1xjw s VAL 222 N -3.21 2.68 -0.13 3.84 -7.23 -1.18 -4.70 120.40 110.46 1xjw s VAL 222 Ca 0.42 -0.86 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 1xjw s VAL 222 Cb 0.39 -2.03 -0.24 0.00 0.56 0.00 0.00 36.38 35.06 1xjw s VAL 222 CO -0.02 0.58 0.32 0.47 -0.31 0.00 0.00 175.10 176.14 1xjw n ASP 223 N 2.58 1.46 -3.96 4.85 8.00 0.01 -4.54 116.55 124.96 1xjw n ASP 223 Ca -0.17 0.19 -0.27 0.00 0.71 0.00 0.00 54.79 55.24 1xjw n ASP 223 Cb 0.52 -0.32 -0.17 0.00 -0.02 0.00 0.00 41.12 41.13 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 -2.56 1.20 -0.47 0.53 1.09 -1.16 -1.51 121.20 118.32 1xjw s ILE 224 Ca -0.18 -0.42 -0.10 0.00 -1.10 0.00 0.00 60.65 58.86 1xjw s ILE 224 Cb 0.07 -1.17 0.11 0.00 -1.06 0.00 0.00 42.46 40.41 1xjw s ILE 224 CO 0.77 0.39 0.34 -0.22 -0.10 0.00 0.00 174.94 176.12 1xjw s LEU 225 N 1.48 5.61 -0.72 2.97 2.96 -0.77 -1.70 118.68 128.52 1xjw s LEU 225 Ca 0.02 -1.77 -0.19 0.00 -0.22 0.00 0.00 54.13 51.97 1xjw s LEU 225 Cb -0.13 -2.04 0.12 0.00 0.50 0.00 0.00 46.19 44.64 1xjw s LEU 225 CO -0.07 -0.67 0.87 -0.47 -1.32 0.00 0.00 176.35 174.69 1xjw s TYR 226 N 1.42 3.06 0.15 5.38 5.04 0.12 -0.30 117.35 132.22 1xjw s TYR 226 Ca 0.05 -1.12 -0.24 0.00 -2.44 0.00 0.00 57.07 53.32 1xjw s TYR 226 Cb -0.26 -4.11 -0.08 0.00 0.35 0.00 0.00 41.96 37.86 1xjw s TYR 226 CO 0.01 -1.38 0.72 -1.64 -1.34 0.00 0.00 175.55 171.93 1xjw s MET 227 N 2.64 4.47 0.26 4.97 -1.94 0.45 -1.75 119.30 128.40 1xjw s MET 227 Ca 0.20 1.04 0.05 0.00 -1.71 0.00 0.00 55.69 55.27 1xjw s MET 227 Cb -0.16 -3.24 -0.06 0.00 2.01 0.00 0.00 34.83 33.38 1xjw s MET 227 CO 0.01 0.58 -0.03 0.95 -0.01 0.00 0.00 175.02 176.52 1xjw s THR 228 N -1.16 1.39 0.20 2.05 -4.23 -0.50 -4.06 115.64 109.33 1xjw s THR 228 Ca 0.34 -2.08 -0.03 0.00 -1.18 0.00 0.00 61.69 58.74 1xjw s THR 228 Cb -0.22 -2.43 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1xjw s THR 228 CO 0.24 -0.29 0.42 -0.60 -0.54 0.00 0.00 174.62 173.85 1xjw s ARG 229 N -3.79 3.59 -0.18 3.99 3.52 -1.26 -4.58 118.95 120.23 1xjw s ARG 229 Ca 0.29 -0.16 -0.29 0.00 -0.13 0.00 0.00 55.73 55.44 1xjw s ARG 229 Cb 0.05 -2.80 -0.01 0.00 -1.56 0.00 0.00 34.95 30.63 1xjw s ARG 229 CO 0.11 0.39 1.25 0.08 -0.81 0.00 0.00 175.30 176.32 1xjw s VAL 230 N -1.82 4.29 -0.76 7.11 1.01 -1.26 -4.23 120.40 124.74 1xjw s VAL 230 Ca 0.41 1.55 -0.08 0.00 0.00 0.00 0.00 61.98 63.85 1xjw s VAL 230 Cb -0.11 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.16 1xjw s VAL 230 CO 0.27 -0.18 1.93 0.00 0.00 0.00 0.00 175.10 177.12 1xjw n GLN 231 N 6.68 1.69 -0.35 2.72 1.13 -1.26 -4.72 117.38 123.27 1xjw n GLN 231 Ca 0.14 -1.40 0.12 0.00 -1.94 0.00 0.00 57.00 53.92 1xjw n GLN 231 Cb 0.45 -2.48 0.25 0.00 0.11 0.00 0.00 30.24 28.57 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 6.88 0.00 0.00 -1.09 3.64 -1.91 0.19 116.57 124.28 1xjw h LYS 232 Ca 0.42 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1xjw h LYS 232 Cb 0.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1xjw h LYS 232 CO 1.50 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 177.83 1xjw n GLU 233 N -5.53 0.09 0.00 1.90 0.00 -1.26 -2.78 120.64 113.06 1xjw n GLU 233 Ca 0.21 0.38 0.06 0.00 0.00 0.00 0.00 57.16 57.81 1xjw n GLU 233 Cb 0.68 -1.69 -0.06 0.00 0.00 0.00 0.00 31.44 30.37 1xjw n GLU 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1xjw n ARG 234 N -1.87 3.10 -1.73 3.44 1.74 0.63 -5.02 116.66 116.94 1xjw n ARG 234 Ca 0.02 -0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 1xjw n ARG 234 Cb 0.16 -1.05 0.07 0.00 -1.02 0.00 0.00 32.46 30.62 1xjw n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xjw s LEU 235 N -2.50 3.52 0.35 0.55 1.43 -1.05 -5.03 118.68 115.95 1xjw s LEU 235 Ca 0.05 2.48 -0.07 0.00 -1.03 0.00 0.00 54.13 55.55 1xjw s LEU 235 Cb 0.09 -4.60 -0.06 0.00 0.03 0.00 0.00 46.19 41.65 1xjw s LEU 235 CO 0.47 -1.96 0.65 -0.62 0.23 0.00 0.00 176.35 175.12 1xjw s ASP 236 N -1.64 6.46 0.38 2.29 2.15 -1.26 -4.96 116.67 120.09 1xjw s ASP 236 Ca 0.79 0.88 0.12 0.00 0.43 0.00 0.00 52.55 54.77 1xjw s ASP 236 Cb -0.33 -2.22 0.91 0.00 -0.30 0.00 0.00 42.92 40.99 1xjw s ASP 236 CO 0.39 -0.30 1.88 -0.65 -0.17 0.00 0.00 175.17 176.32 1xjw h PRO 237 N 1.40 0.57 0.00 4.34 0.11 -1.99 0.81 132.00 137.23 1xjw h PRO 237 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1xjw h PRO 237 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1xjw h PRO 237 CO 0.65 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.68 1xjw n SER 238 N -4.54 0.00 0.00 -2.05 3.41 -1.26 -2.06 113.62 107.12 1xjw n SER 238 Ca 0.17 -0.85 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 1xjw n SER 238 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 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 -0.61 0.94 0.00 4.33 1.02 0.28 -4.76 120.64 121.84 1xjw n GLU 239 Ca 0.03 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.33 1xjw n GLU 239 Cb 0.01 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.60 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 -0.20 0.00 0.21 -0.32 4.02 -0.87 -0.49 117.16 119.50 1xjw n TYR 240 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 1xjw n TYR 240 Cb 0.24 -0.17 0.31 0.00 -0.02 0.00 0.00 39.34 39.70 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 2.00 0.92 -0.59 -0.72 0.00 -1.85 -3.10 119.26 115.93 1xjw h ALA 241 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xjw h ALA 241 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xjw h ALA 241 CO 0.00 0.25 0.00 0.09 0.00 0.00 0.00 179.25 179.59 1xjw n ASN 242 N -3.23 4.75 0.09 0.00 3.02 0.35 -4.51 115.26 115.74 1xjw n ASN 242 Ca 0.02 -2.55 0.01 0.00 -0.03 0.00 0.00 54.58 52.02 1xjw n ASN 242 Cb 0.51 -0.57 0.33 0.00 -0.61 0.00 0.00 39.78 39.44 1xjw n ASN 242 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1xjw h VAL 243 N 3.76 1.22 -3.33 2.41 3.04 -1.67 -3.42 116.25 118.25 1xjw h VAL 243 Ca 0.00 -0.98 -0.56 0.00 -1.01 0.00 0.00 66.70 64.15 1xjw h VAL 243 Cb 1.50 1.28 -0.04 0.00 -2.01 0.00 0.00 31.29 32.03 1xjw h VAL 243 CO 0.26 0.31 -0.13 -0.75 -1.01 0.00 0.00 177.57 176.24 1xjw s LYS 244 N -4.62 3.85 0.08 4.17 2.20 -1.26 -4.86 119.74 119.30 1xjw s LYS 244 Ca -0.06 0.32 -0.31 0.00 -0.36 0.00 0.00 55.97 55.57 1xjw s LYS 244 Cb 0.15 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.58 1xjw s LYS 244 CO 0.75 0.42 1.38 0.00 -0.36 0.00 0.00 175.35 177.54 1xjw s ALA 245 N -1.61 3.57 0.02 3.13 0.00 -1.26 -4.92 121.76 120.69 1xjw s ALA 245 Ca 0.41 1.04 0.10 0.00 0.00 0.00 0.00 51.96 53.51 1xjw s ALA 245 Cb -0.13 -3.54 -0.20 0.00 0.00 0.00 0.00 23.12 19.24 1xjw s ALA 245 CO 0.20 -0.67 0.99 1.96 0.00 0.00 0.00 175.76 178.24 1xjw h GLN 246 N 7.07 0.00 -4.52 0.00 4.20 -1.96 -3.42 115.11 116.48 1xjw h GLN 246 Ca -0.41 0.00 -0.69 0.00 0.06 0.00 0.00 58.65 57.61 1xjw h GLN 246 Cb 1.20 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.64 1xjw h GLN 246 CO 0.87 0.72 -0.57 -0.06 -0.67 0.00 0.00 178.83 179.12 1xjw s PHE 247 N -2.68 3.58 -0.20 2.96 0.08 -1.26 -5.07 117.98 115.38 1xjw s PHE 247 Ca -0.02 -2.40 -0.10 0.00 0.12 0.00 0.00 56.93 54.53 1xjw s PHE 247 Cb 0.09 -3.13 -0.05 0.00 -0.57 0.00 0.00 43.02 39.36 1xjw s PHE 247 CO 0.82 -0.96 0.15 0.08 -0.10 0.00 0.00 175.22 175.21 1xjw s VAL 248 N 1.14 5.40 -0.22 -0.44 1.01 -1.26 -4.76 120.40 121.27 1xjw s VAL 248 Ca 0.07 0.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.13 1xjw s VAL 248 Cb -0.22 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 1xjw s VAL 248 CO -0.04 0.43 0.35 -0.22 0.00 0.00 0.00 175.10 175.62 1xjw s LEU 249 N 0.42 4.13 0.16 3.92 2.96 0.10 -4.98 118.68 125.40 1xjw s LEU 249 Ca 0.09 0.40 0.11 0.00 -0.22 0.00 0.00 54.13 54.51 1xjw s LEU 249 Cb -0.11 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1xjw s LEU 249 CO -0.01 -0.07 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.57 1xjw s ARG 250 N 1.40 1.47 0.26 1.98 0.52 -1.26 -1.24 118.95 122.09 1xjw s ARG 250 Ca 0.16 -1.44 -0.02 0.00 -0.52 0.00 0.00 55.73 53.91 1xjw s ARG 250 Cb -0.15 -1.88 0.56 0.00 0.52 0.00 0.00 34.95 34.01 1xjw s ARG 250 CO 0.08 0.42 1.68 0.00 0.02 0.00 0.00 175.30 177.50 1xjw h ALA 251 N 3.51 1.11 -0.43 2.13 0.00 -1.89 0.13 119.26 123.83 1xjw h ALA 251 Ca -0.49 0.17 0.12 0.00 0.00 0.00 0.00 54.91 54.72 1xjw h ALA 251 Cb 1.19 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1xjw h ALA 251 CO 0.44 -0.35 0.40 0.66 0.00 0.00 0.00 179.25 180.40 1xjw h SER 252 N 0.30 0.00 0.75 0.00 4.64 -1.99 0.15 113.55 117.40 1xjw h SER 252 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1xjw h SER 252 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1xjw h SER 252 CO -0.54 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.89 1xjw n ASP 253 N -3.92 0.30 -1.74 4.97 8.00 0.45 -3.16 116.55 121.45 1xjw n ASP 253 Ca 0.08 0.56 -0.04 0.00 0.71 0.00 0.00 54.79 56.10 1xjw n ASP 253 Cb 0.59 -0.63 0.25 0.00 -0.02 0.00 0.00 41.12 41.31 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 -1.82 5.20 -0.03 0.64 4.77 0.51 -4.50 117.00 121.77 1xjw n LEU 254 Ca 0.04 -2.69 -0.13 0.00 -0.03 0.00 0.00 56.01 53.19 1xjw n LEU 254 Cb 0.24 -0.69 -0.11 0.00 -2.33 0.00 0.00 43.42 40.53 1xjw n LEU 254 CO 0.19 0.69 0.55 1.12 -1.33 0.00 0.00 177.39 178.62 1xjw h HIS 255 N 2.26 0.02 -0.27 -1.77 2.07 -1.72 -3.13 115.15 112.61 1xjw h HIS 255 Ca 0.19 -0.01 -0.08 0.00 -2.85 0.00 0.00 60.37 57.62 1xjw h HIS 255 Cb 1.98 -0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.91 1xjw h HIS 255 CO 1.01 0.66 0.10 0.09 -3.07 0.00 0.00 177.93 176.73 1xjw n ASN 256 N -4.76 2.94 -4.71 3.10 4.13 -1.26 -4.90 115.26 109.78 1xjw n ASN 256 Ca -0.09 -2.43 -0.42 0.00 1.68 0.00 0.00 54.58 53.32 1xjw n ASN 256 Cb 0.33 -0.59 -0.03 0.00 -1.54 0.00 0.00 39.78 37.95 1xjw n ASN 256 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1xjw s ALA 257 N -1.42 3.21 0.15 5.41 0.00 -1.19 -3.91 121.76 124.01 1xjw s ALA 257 Ca 0.20 0.60 -0.32 0.00 0.00 0.00 0.00 51.96 52.43 1xjw s ALA 257 Cb 0.16 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 1xjw s ALA 257 CO 0.05 -0.24 1.76 1.17 0.00 0.00 0.00 175.76 178.49 1xjw n LYS 258 N 3.78 2.67 -0.39 0.00 4.81 -1.26 -4.85 118.16 122.92 1xjw n LYS 258 Ca 0.06 0.97 0.33 0.00 -0.87 0.00 0.00 58.31 58.79 1xjw n LYS 258 Cb 0.50 -2.82 0.63 0.00 0.02 0.00 0.00 35.03 33.36 1xjw n LYS 258 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1xjw h ALA 259 N 7.49 2.72 0.00 3.14 0.00 -1.96 0.17 119.26 130.83 1xjw h ALA 259 Ca -0.45 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xjw h ALA 259 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xjw h ALA 259 CO 0.94 -1.20 -0.55 -2.95 0.00 0.00 0.00 179.25 175.49 1xjw h ASN 260 N 0.17 0.00 -2.60 0.00 -1.07 -1.94 -3.47 115.58 106.67 1xjw h ASN 260 Ca 0.69 -0.08 -0.53 0.00 0.07 0.00 0.00 56.30 56.45 1xjw h ASN 260 Cb 2.20 0.00 0.06 0.00 -2.07 0.00 0.00 38.32 38.51 1xjw h ASN 260 CO -0.25 0.04 0.99 0.80 0.07 0.00 0.00 177.43 179.08 1xjw n MET 261 N -2.49 2.71 -4.33 4.14 1.56 0.05 -4.92 117.12 113.83 1xjw n MET 261 Ca 0.03 0.98 -0.25 0.00 -0.27 0.00 0.00 57.70 58.18 1xjw n MET 261 Cb 0.49 -2.82 -0.09 0.00 2.15 0.00 0.00 33.22 32.95 1xjw n MET 261 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1xjw s LYS 262 N 1.21 2.03 -0.17 2.12 -0.14 -0.57 -4.69 119.74 119.52 1xjw s LYS 262 Ca 0.76 -1.42 -0.06 0.00 -1.36 0.00 0.00 55.97 53.89 1xjw s LYS 262 Cb -0.52 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1xjw s LYS 262 CO 0.33 0.39 0.02 0.08 -0.76 0.00 0.00 175.35 175.42 1xjw s VAL 263 N -2.03 4.45 0.25 3.17 1.01 0.16 -1.84 120.40 125.57 1xjw s VAL 263 Ca 0.27 -0.16 0.12 0.00 0.00 0.00 0.00 61.98 62.21 1xjw s VAL 263 Cb -0.07 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1xjw s VAL 263 CO 0.16 0.47 -0.21 -0.76 0.00 0.00 0.00 175.10 174.77 1xjw s LEU 264 N 0.36 2.55 -0.30 3.92 1.43 0.59 -1.57 118.68 125.66 1xjw s LEU 264 Ca 0.00 -0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 52.01 1xjw s LEU 264 Cb -0.13 -1.09 0.13 0.00 0.03 0.00 0.00 46.19 45.13 1xjw s LEU 264 CO 0.01 0.05 0.66 -2.28 0.23 0.00 0.00 176.35 175.02 1xjw s HIS 265 N -2.31 -1.32 0.53 0.29 2.46 -1.26 -0.41 115.29 113.26 1xjw s HIS 265 Ca 0.27 2.31 0.42 0.00 0.47 0.00 0.00 55.06 58.53 1xjw s HIS 265 Cb -0.06 0.79 2.18 0.00 -0.13 0.00 0.00 32.58 35.37 1xjw s HIS 265 CO 0.13 -0.66 2.28 -1.00 -2.47 0.00 0.00 174.74 173.03 1xjw h PRO 266 N 7.93 0.00 -2.04 2.88 0.13 -1.95 -3.46 132.00 135.50 1xjw h PRO 266 Ca -0.19 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1xjw h PRO 266 Cb 1.11 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.14 1xjw h PRO 266 CO 0.10 0.00 -0.72 1.28 -0.23 0.00 0.00 178.00 178.43 1xjw n LEU 267 N -3.07 -0.64 -4.82 1.56 4.77 -1.26 -5.02 117.00 108.52 1xjw n LEU 267 Ca -0.02 1.43 -0.32 0.00 -0.03 0.00 0.00 56.01 57.06 1xjw n LEU 267 Cb 0.13 -1.71 -0.02 0.00 -2.33 0.00 0.00 43.42 39.49 1xjw n LEU 267 CO 0.22 -1.15 0.70 -2.16 -1.33 0.00 0.00 177.39 173.67 1xjw s PRO 268 N -3.88 3.68 -0.01 3.23 0.04 -1.26 -5.03 135.00 131.78 1xjw s PRO 268 Ca 0.00 1.09 -0.02 0.00 0.04 0.00 0.00 61.00 62.11 1xjw s PRO 268 Cb 0.00 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.41 1xjw s PRO 268 CO 0.00 -0.50 0.16 -0.98 0.04 0.00 0.00 177.00 175.72 1xjw s ARG 269 N -3.99 3.37 0.00 4.56 1.70 -1.26 -4.63 118.95 118.69 1xjw s ARG 269 Ca 0.62 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 55.52 1xjw s ARG 269 Cb -0.13 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.20 1xjw s ARG 269 CO 0.32 0.67 0.00 0.28 -1.08 0.00 0.00 175.30 175.49 1xjw n VAL 270 N 0.97 0.00 -0.21 4.99 0.31 -1.26 -4.95 118.33 118.17 1xjw n VAL 270 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 1xjw n VAL 270 Cb 0.53 -0.57 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 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 -0.40 1.22 0.11 4.52 5.75 -1.26 -4.74 116.55 121.75 1xjw n ASP 271 Ca 0.00 -1.43 0.12 0.00 -0.01 0.00 0.00 54.79 53.47 1xjw n ASP 271 Cb 0.00 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.55 1xjw n ASP 271 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1xjw n GLU 272 N -0.22 0.20 -3.73 0.11 0.00 -1.26 -4.39 120.64 111.35 1xjw n GLU 272 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 57.16 57.19 1xjw n GLU 272 Cb 0.19 -1.81 -0.15 0.00 0.00 0.00 0.00 31.44 29.67 1xjw n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1xjw s ILE 273 N -3.21 0.76 0.58 3.84 1.09 -1.26 0.02 121.20 123.02 1xjw s ILE 273 Ca 0.07 -1.16 -0.19 0.00 -1.10 0.00 0.00 60.65 58.26 1xjw s ILE 273 Cb 0.11 -1.49 -0.05 0.00 -1.06 0.00 0.00 42.46 39.97 1xjw s ILE 273 CO 0.46 -0.55 1.09 0.00 -0.10 0.00 0.00 174.94 175.83 1xjw n ALA 274 N 4.91 0.57 0.29 9.38 0.00 -0.37 -4.88 120.51 130.40 1xjw n ALA 274 Ca -0.04 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1xjw n ALA 274 Cb 0.43 -2.18 0.91 0.00 0.00 0.00 0.00 19.45 18.61 1xjw n ALA 274 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1xjw h THR 275 N 0.76 0.45 -0.40 0.00 1.35 -1.97 -2.57 112.91 110.53 1xjw h THR 275 Ca -0.49 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 1xjw h THR 275 Cb 1.35 1.10 -0.02 0.00 -1.73 0.00 0.00 68.15 68.85 1xjw h THR 275 CO 0.53 0.03 0.20 -2.24 -0.25 0.00 0.00 175.52 173.79 1xjw h ASP 276 N 0.00 0.48 -0.27 5.36 3.04 -1.94 -0.83 116.42 122.26 1xjw h ASP 276 Ca -0.00 -0.03 0.08 0.00 -3.24 0.00 0.00 57.03 53.83 1xjw h ASP 276 Cb 0.10 -0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 38.26 1xjw h ASP 276 CO 0.00 0.41 0.22 0.58 -2.04 0.00 0.00 179.24 178.41 1xjw h VAL 277 N 0.55 0.73 -0.96 4.15 2.07 -1.79 -2.42 116.25 118.58 1xjw h VAL 277 Ca 0.14 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.89 1xjw h VAL 277 Cb 0.05 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.59 1xjw h VAL 277 CO -0.02 0.00 0.64 0.44 0.02 0.00 0.00 177.57 178.65 1xjw h ASP 278 N 0.00 0.37 -0.47 0.57 5.19 -1.31 -1.28 116.42 119.49 1xjw h ASP 278 Ca 0.13 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1xjw h ASP 278 Cb 0.56 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1xjw h ASP 278 CO -0.00 0.12 0.00 2.29 -3.12 0.00 0.00 179.24 178.53 1xjw n LYS 279 N -4.51 3.58 -3.42 3.56 2.85 -0.91 -4.83 118.16 114.48 1xjw n LYS 279 Ca 0.21 -2.80 -0.32 0.00 -1.05 0.00 0.00 58.31 54.35 1xjw n LYS 279 Cb 0.80 -1.85 -0.05 0.00 -0.65 0.00 0.00 35.03 33.27 1xjw n LYS 279 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1xjw s THR 280 N -2.19 4.94 -1.40 0.58 -4.23 -0.48 -4.95 115.64 107.91 1xjw s THR 280 Ca 0.45 0.49 0.07 0.00 -1.18 0.00 0.00 61.69 61.52 1xjw s THR 280 Cb 0.32 -3.63 0.11 0.00 1.34 0.00 0.00 72.50 70.64 1xjw s THR 280 CO 0.17 -0.03 1.08 -0.81 -0.54 0.00 0.00 174.62 174.49 1xjw n PRO 281 N -0.01 0.09 0.03 3.99 -0.04 -1.26 -2.40 135.00 135.39 1xjw n PRO 281 Ca -0.00 0.23 -0.06 0.00 -0.04 0.00 0.00 63.50 63.63 1xjw n PRO 281 Cb 0.52 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.37 1xjw n PRO 281 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xjw h HIS 282 N 0.00 0.00 -3.17 0.54 3.86 -1.86 -3.46 115.15 111.05 1xjw h HIS 282 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1xjw h HIS 282 Cb 0.07 0.00 0.06 0.00 1.06 0.00 0.00 27.41 28.59 1xjw h HIS 282 CO 0.00 0.88 0.83 0.00 0.86 0.00 0.00 177.93 180.50 1xjw s ALA 283 N -2.72 3.71 0.00 2.45 0.00 -1.01 0.36 121.76 124.54 1xjw s ALA 283 Ca -0.02 1.40 0.00 0.00 0.00 0.00 0.00 51.96 53.34 1xjw s ALA 283 Cb 0.09 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1xjw s ALA 283 CO 0.81 -0.81 0.43 1.87 0.00 0.00 0.00 175.76 178.06 1xjw n TRP 284 N 2.86 0.00 0.13 0.00 -0.00 -0.61 -4.81 117.44 115.01 1xjw n TRP 284 Ca 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.61 1xjw n TRP 284 Cb 0.39 0.03 0.35 0.00 -0.00 0.00 0.00 31.31 32.08 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 0.21 0.03 5.87 -0.00 -1.87 0.14 116.97 121.35 1xjw h TYR 285 Ca 0.00 -0.03 -0.22 0.00 0.00 0.00 0.00 58.73 58.48 1xjw h TYR 285 Cb 1.02 -0.05 -0.02 0.00 0.00 0.00 0.00 36.73 37.68 1xjw h TYR 285 CO 0.00 0.43 -0.99 0.74 -0.00 0.00 0.00 178.16 178.34 1xjw h PHE 286 N 0.18 0.21 -0.13 0.10 0.04 -1.91 -0.69 116.94 114.74 1xjw h PHE 286 Ca 0.03 -0.14 -0.02 0.00 2.80 0.00 0.00 57.97 60.64 1xjw h PHE 286 Cb 0.53 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1xjw h PHE 286 CO 0.01 1.03 -0.01 1.96 -0.60 0.00 0.00 178.31 180.70 1xjw h GLN 287 N 0.05 0.24 -0.66 1.51 7.50 -1.86 -2.40 115.11 119.50 1xjw h GLN 287 Ca -0.05 -0.08 0.12 0.00 0.50 0.00 0.00 58.65 59.14 1xjw h GLN 287 Cb 1.68 -0.02 -0.09 0.00 0.05 0.00 0.00 27.48 29.11 1xjw h GLN 287 CO 0.14 0.50 0.20 0.37 -1.50 0.00 0.00 178.83 178.54 1xjw h GLN 288 N -0.04 0.33 -0.37 1.46 4.15 -0.65 -0.98 115.11 119.01 1xjw h GLN 288 Ca 0.04 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.48 1xjw h GLN 288 Cb 0.40 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.97 1xjw h GLN 288 CO 0.01 0.22 0.14 0.00 -1.93 0.00 0.00 178.83 177.27 1xjw h ALA 289 N 1.50 0.44 -0.41 3.38 0.00 -0.93 -2.01 119.26 121.23 1xjw h ALA 289 Ca 0.35 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.36 1xjw h ALA 289 Cb 0.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1xjw h ALA 289 CO -0.39 -0.25 0.27 0.78 0.00 0.00 0.00 179.25 179.66 1xjw h GLY 290 N 0.30 0.38 2.00 0.00 0.00 -0.69 -1.22 103.07 103.83 1xjw h GLY 290 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1xjw h GLY 290 CO -0.17 0.10 0.00 3.43 0.00 0.00 0.00 176.54 179.90 1xjw h ASN 291 N 0.31 0.00 -0.25 0.19 -0.26 -0.75 -2.56 115.58 112.25 1xjw h ASN 291 Ca 0.18 0.00 0.07 0.00 -0.56 0.00 0.00 56.30 55.99 1xjw h ASN 291 Cb 0.31 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 1xjw h ASN 291 CO -0.04 0.00 0.19 1.23 -1.06 0.00 0.00 177.43 177.75 1xjw h GLY 292 N 1.61 0.00 0.89 2.83 0.00 -1.20 -1.11 103.07 106.08 1xjw h GLY 292 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xjw h GLY 292 CO 0.00 0.00 0.09 -2.22 0.00 0.00 0.00 176.54 174.41 1xjw h ILE 293 N 0.00 1.20 -0.18 2.60 1.08 -1.64 0.11 117.51 120.67 1xjw h ILE 293 Ca 0.12 -0.63 -0.20 0.00 -0.39 0.00 0.00 64.86 63.76 1xjw h ILE 293 Cb 0.50 1.10 0.01 0.00 -3.07 0.00 0.00 36.82 35.36 1xjw h ILE 293 CO -0.00 0.21 -0.65 -0.26 -0.69 0.00 0.00 178.15 176.75 1xjw h PHE 294 N 0.28 1.01 -0.22 1.37 0.04 -1.48 -1.33 116.94 116.61 1xjw h PHE 294 Ca 0.09 -0.42 -0.10 0.00 2.80 0.00 0.00 57.97 60.34 1xjw h PHE 294 Cb 0.24 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1xjw h PHE 294 CO 0.00 1.24 -0.28 0.00 -0.60 0.00 0.00 178.31 178.67 1xjw h ALA 295 N 0.57 1.12 0.00 2.45 0.00 -1.24 -1.16 119.26 121.00 1xjw h ALA 295 Ca -0.03 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.39 1xjw h ALA 295 Cb 1.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1xjw h ALA 295 CO 0.14 0.56 -0.68 0.00 0.00 0.00 0.00 179.25 179.26 1xjw h ARG 296 N 0.37 0.00 -0.12 0.00 3.08 -0.95 -2.19 114.38 114.58 1xjw h ARG 296 Ca 0.05 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.02 1xjw h ARG 296 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1xjw h ARG 296 CO 0.05 0.67 -0.25 1.96 -1.07 0.00 0.00 179.97 181.33 1xjw h GLN 297 N 0.00 0.38 -0.31 0.04 4.20 -1.04 -2.54 115.11 115.84 1xjw h GLN 297 Ca -0.01 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.52 1xjw h GLN 297 Cb 1.52 0.03 -0.06 0.00 0.30 0.00 0.00 27.48 29.27 1xjw h GLN 297 CO 0.09 0.85 -0.08 0.00 -0.67 0.00 0.00 178.83 179.01 1xjw h ALA 298 N 0.53 0.19 -0.74 3.87 0.00 -1.23 0.38 119.26 122.26 1xjw h ALA 298 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xjw h ALA 298 Cb 0.84 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 1xjw h ALA 298 CO 0.05 -0.47 0.47 1.25 0.00 0.00 0.00 179.25 180.56 1xjw h LEU 299 N -0.01 0.86 -0.50 0.00 5.85 -1.39 -2.27 115.31 117.85 1xjw h LEU 299 Ca 0.15 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.70 1xjw h LEU 299 Cb 0.23 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1xjw h LEU 299 CO -0.32 0.64 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.12 1xjw h LEU 300 N 1.00 1.01 -0.89 2.25 3.38 -0.99 -2.62 115.31 118.45 1xjw h LEU 300 Ca 0.27 -0.39 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1xjw h LEU 300 Cb -0.09 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.34 1xjw h LEU 300 CO -0.06 1.18 0.59 0.00 0.09 0.00 0.00 178.44 180.25 1xjw h ALA 301 N 0.88 1.14 -0.10 1.53 0.00 -0.58 -1.84 119.26 120.29 1xjw h ALA 301 Ca 0.11 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1xjw h ALA 301 Cb 0.81 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1xjw h ALA 301 CO 0.07 0.53 -0.68 -0.07 0.00 0.00 0.00 179.25 179.10 1xjw h LEU 302 N 1.20 0.50 -0.03 0.00 3.38 -1.36 -2.29 115.31 116.72 1xjw h LEU 302 Ca 0.33 -0.31 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 1xjw h LEU 302 Cb -0.13 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.48 1xjw h LEU 302 CO -0.08 1.03 -1.09 0.58 0.09 0.00 0.00 178.44 178.98 1xjw h VAL 303 N 0.30 1.42 -0.02 1.22 2.07 -1.21 -3.13 116.25 116.90 1xjw h VAL 303 Ca -0.02 -2.65 0.00 0.00 0.82 0.00 0.00 66.70 64.85 1xjw h VAL 303 Cb 1.24 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 1xjw h VAL 303 CO 0.12 0.79 -0.27 0.18 0.02 0.00 0.00 177.57 178.40 1xjw n LEU 304 N -3.68 2.21 -4.05 2.57 4.77 -0.71 -0.71 117.00 117.39 1xjw n LEU 304 Ca -0.08 -0.85 -0.30 0.00 -0.03 0.00 0.00 56.01 54.75 1xjw n LEU 304 Cb 0.92 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.85 1xjw n LEU 304 CO 0.53 0.40 -0.50 0.21 -1.33 0.00 0.00 177.39 176.70 1xjw s ASN 305 N -2.09 2.63 0.08 -1.43 3.84 -0.86 -5.02 114.94 112.09 1xjw s ASN 305 Ca 0.20 -0.48 -0.26 0.00 0.21 0.00 0.00 52.86 52.53 1xjw s ASN 305 Cb 0.17 -1.18 -0.16 0.00 -0.55 0.00 0.00 41.25 39.53 1xjw s ASN 305 CO 0.42 -0.01 1.68 -0.09 -2.79 0.00 0.00 177.10 176.31 1xjw h ARG 306 N 7.69 -0.26 -5.94 0.43 2.43 -1.85 -3.43 114.38 113.46 1xjw h ARG 306 Ca -0.35 0.02 -0.57 0.00 -0.81 0.00 0.00 59.98 58.27 1xjw h ARG 306 Cb 1.16 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.71 1xjw h ARG 306 CO 0.52 -0.16 -0.01 -0.51 -1.51 0.00 0.00 179.97 178.31 1xjw s ASP 307 N -4.97 6.88 -0.59 -3.80 1.01 -1.26 -1.79 116.67 112.14 1xjw s ASP 307 Ca -0.14 1.06 -0.32 0.00 0.71 0.00 0.00 52.55 53.85 1xjw s ASP 307 Cb 0.05 -2.36 -0.14 0.00 1.01 0.00 0.00 42.92 41.48 1xjw s ASP 307 CO 0.65 -0.04 2.41 -0.11 0.21 0.00 0.00 175.17 178.28 1xjw n LEU 308 N 3.58 1.56 0.00 1.23 0.00 -1.26 -4.64 117.00 117.46 1xjw n LEU 308 Ca -0.04 0.09 0.00 0.00 0.00 0.00 0.00 56.01 56.06 1xjw n LEU 308 Cb 0.51 -1.23 0.00 0.00 0.00 0.00 0.00 43.42 42.70 1xjw n LEU 308 CO 0.45 -0.97 0.00 1.33 0.00 0.00 0.00 177.39 178.20 1xjw n VAL 309 N 7.49 0.00 0.71 1.96 0.24 -1.26 -5.13 118.33 122.33 1xjw n VAL 309 Ca 0.48 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.87 1xjw n VAL 309 Cb 0.25 0.00 0.07 0.00 -1.47 0.00 0.00 33.84 32.69 1xjw n VAL 309 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87