#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2r s LEU 13 N 0.00 4.37 -0.02 4.03 2.96 -1.26 -5.03 118.68 123.73 1j2r s LEU 13 Ca 0.00 2.77 0.06 0.00 -0.22 0.00 0.00 54.13 56.74 1j2r s LEU 13 Cb 0.00 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 1j2r s LEU 13 CO 0.00 -0.77 -0.20 -1.61 -1.32 0.00 0.00 176.35 172.44 1j2r s GLU 14 N -0.47 1.74 0.06 1.98 0.41 -1.26 -4.27 118.70 116.89 1j2r s GLU 14 Ca 0.60 -0.72 0.07 0.00 -0.41 0.00 0.00 54.97 54.52 1j2r s GLU 14 Cb -0.44 -1.63 -0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1j2r s GLU 14 CO 0.45 0.40 -0.20 -0.51 -0.49 0.00 0.00 175.26 174.91 1j2r s LEU 15 N -0.37 2.19 -0.68 1.80 1.43 -1.03 -5.06 118.68 116.97 1j2r s LEU 15 Ca 0.05 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 1j2r s LEU 15 Cb -0.09 -0.93 0.09 0.00 0.03 0.00 0.00 46.19 45.28 1j2r s LEU 15 CO 0.00 0.13 0.93 0.20 0.23 0.00 0.00 176.35 177.84 1j2r s ASN 16 N -1.33 6.23 0.28 2.29 0.02 -1.26 -4.71 114.94 116.46 1j2r s ASN 16 Ca 0.07 -1.23 0.02 0.00 -1.02 0.00 0.00 52.86 50.70 1j2r s ASN 16 Cb -0.09 -2.39 0.60 0.00 0.02 0.00 0.00 41.25 39.39 1j2r s ASN 16 CO 0.02 -1.32 1.81 0.00 0.02 0.00 0.00 177.10 177.63 1j2r h ALA 17 N 9.39 1.51 0.00 0.60 0.00 -1.93 -2.44 119.26 126.40 1j2r h ALA 17 Ca -0.23 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1j2r h ALA 17 Cb 1.07 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1j2r h ALA 17 CO 1.15 0.10 -0.07 0.87 0.00 0.00 0.00 179.25 181.30 1j2r h LYS 18 N 0.87 0.00 -0.25 0.00 1.79 -1.93 -1.69 116.57 115.35 1j2r h LYS 18 Ca 0.51 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.97 1j2r h LYS 18 Cb 0.63 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 1j2r h LYS 18 CO -0.31 0.07 -0.00 0.25 -1.08 0.00 0.00 179.45 178.38 1j2r n THR 19 N -3.37 2.29 -5.04 -0.16 -2.24 -0.93 -4.85 114.28 99.98 1j2r n THR 19 Ca -0.01 -1.94 -0.32 0.00 -2.27 0.00 0.00 64.05 59.50 1j2r n THR 19 Cb 0.24 -0.26 -0.15 0.00 -2.10 0.00 0.00 70.33 68.06 1j2r n THR 19 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1j2r s THR 20 N -2.86 2.65 0.19 4.28 2.01 -0.64 -1.27 115.64 120.01 1j2r s THR 20 Ca 0.42 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.64 1j2r s THR 20 Cb 0.34 -2.01 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1j2r s THR 20 CO 0.08 0.58 -0.17 0.00 -0.69 0.00 0.00 174.62 174.42 1j2r s ALA 21 N -0.47 2.09 -0.19 7.40 0.00 -0.43 -4.45 121.76 125.71 1j2r s ALA 21 Ca 0.06 -1.59 -0.08 0.00 0.00 0.00 0.00 51.96 50.35 1j2r s ALA 21 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1j2r s ALA 21 CO 0.01 0.18 0.07 -1.17 0.00 0.00 0.00 175.76 174.85 1j2r s LEU 22 N -3.00 3.81 -0.21 0.00 2.96 -0.78 -0.92 118.68 120.54 1j2r s LEU 22 Ca 0.20 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 54.20 1j2r s LEU 22 Cb -0.04 -1.97 0.04 0.00 0.50 0.00 0.00 46.19 44.72 1j2r s LEU 22 CO 0.08 0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.42 1j2r s VAL 23 N 0.44 2.06 -0.33 1.68 1.01 0.03 -0.50 120.40 124.79 1j2r s VAL 23 Ca 0.03 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.73 1j2r s VAL 23 Cb -0.12 -2.01 0.03 0.00 0.00 0.00 0.00 36.38 34.28 1j2r s VAL 23 CO 0.00 0.29 0.11 -0.69 0.00 0.00 0.00 175.10 174.81 1j2r s VAL 24 N 1.23 3.88 -0.39 2.92 1.01 -0.13 -2.02 120.40 126.91 1j2r s VAL 24 Ca -0.01 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 60.74 1j2r s VAL 24 Cb -0.16 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1j2r s VAL 24 CO -0.09 -0.14 0.62 -0.63 0.00 0.00 0.00 175.10 174.86 1j2r s ILE 25 N 1.43 4.88 -1.51 2.22 -1.09 0.28 -1.20 121.20 126.21 1j2r s ILE 25 Ca -0.01 0.37 -0.05 0.00 -2.23 0.00 0.00 60.65 58.74 1j2r s ILE 25 Cb -0.19 -4.11 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1j2r s ILE 25 CO 0.03 -0.41 0.62 0.47 -1.23 0.00 0.00 174.94 174.42 1j2r n ASP 26 N 6.09 -6.04 -4.43 3.58 8.00 -0.03 -1.66 116.55 122.07 1j2r n ASP 26 Ca -0.02 -0.29 -0.43 0.00 0.71 0.00 0.00 54.79 54.76 1j2r n ASP 26 Cb 0.48 -4.84 0.00 0.00 -0.02 0.00 0.00 41.12 36.74 1j2r n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j2r n LEU 27 N -3.97 5.31 -4.10 0.64 4.77 -1.26 -4.65 117.00 113.74 1j2r n LEU 27 Ca -0.10 -4.27 -0.14 0.00 -0.03 0.00 0.00 56.01 51.46 1j2r n LEU 27 Cb 0.62 -1.66 -0.11 0.00 -2.33 0.00 0.00 43.42 39.94 1j2r n LEU 27 CO 0.47 0.59 -0.41 0.00 -1.33 0.00 0.00 177.39 176.71 1j2r s GLN 28 N 2.47 0.64 0.47 3.23 -2.07 -1.26 -4.28 119.66 118.85 1j2r s GLN 28 Ca 0.47 -0.89 0.12 0.00 -1.82 0.00 0.00 55.36 53.24 1j2r s GLN 28 Cb 0.01 -0.39 1.08 0.00 -1.09 0.00 0.00 33.01 32.62 1j2r s GLN 28 CO 0.03 0.07 2.09 0.93 -1.32 0.00 0.00 175.29 177.08 1j2r h GLU 29 N 4.21 0.19 0.00 9.60 4.39 -1.07 -1.19 114.58 130.71 1j2r h GLU 29 Ca -0.37 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1j2r h GLU 29 Cb 1.20 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 1j2r h GLU 29 CO 0.44 0.16 -0.13 0.78 -1.16 0.00 0.00 179.01 179.10 1j2r h GLY 30 N 0.28 0.00 0.41 -3.84 0.00 -1.37 -3.13 103.07 95.43 1j2r h GLY 30 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 1j2r h GLY 30 CO -0.01 0.00 -1.84 1.39 0.00 0.00 0.00 176.54 176.09 1j2r n ILE 31 N -4.02 0.85 -0.32 2.60 2.08 -0.47 -4.45 119.36 115.63 1j2r n ILE 31 Ca -0.02 -0.67 0.16 0.00 0.56 0.00 0.00 62.75 62.77 1j2r n ILE 31 Cb 0.22 -0.41 0.39 0.00 -0.75 0.00 0.00 39.64 39.09 1j2r n ILE 31 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1j2r h LEU 32 N 0.00 0.65 -2.82 1.39 3.38 -1.44 -1.01 115.31 115.46 1j2r h LEU 32 Ca -0.21 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1j2r h LEU 32 Cb 1.56 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.27 1j2r h LEU 32 CO 0.02 0.23 0.01 -0.65 0.09 0.00 0.00 178.44 178.14 1j2r h PRO 33 N 0.63 0.00 0.00 1.13 0.11 -1.78 -2.27 132.00 129.82 1j2r h PRO 33 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 1j2r h PRO 33 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1j2r h PRO 33 CO -0.31 0.00 0.00 0.74 -0.21 0.00 0.00 178.00 178.22 1j2r h PHE 34 N 0.00 0.00 -3.73 0.65 -1.00 -1.48 -3.44 116.94 107.94 1j2r h PHE 34 Ca 0.00 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.26 1j2r h PHE 34 Cb 0.02 0.00 0.06 0.00 3.61 0.00 0.00 35.95 39.65 1j2r h PHE 34 CO 0.00 0.00 0.68 0.00 -1.61 0.00 0.00 178.31 177.38 1j2r s ALA 35 N -3.31 3.54 0.00 2.45 0.00 -0.86 -4.02 121.76 119.57 1j2r s ALA 35 Ca 0.06 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1j2r s ALA 35 Cb 0.08 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1j2r s ALA 35 CO 0.60 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1j2r n GLY 36 N 1.22 0.00 0.00 0.00 0.00 0.12 -4.81 105.19 101.72 1j2r n GLY 36 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1j2r n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j2r n GLY 37 N 1.48 1.52 0.39 -0.02 0.00 -0.82 -4.72 105.19 103.02 1j2r n GLY 37 Ca 0.00 -0.97 0.14 0.00 0.00 0.00 0.00 46.02 45.19 1j2r n GLY 37 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j2r n PRO 38 N -0.63 1.49 -4.51 1.61 -0.04 -1.26 -2.04 135.00 129.61 1j2r n PRO 38 Ca 0.00 -0.78 -0.33 0.00 -0.04 0.00 0.00 63.50 62.34 1j2r n PRO 38 Cb 0.00 -1.48 -0.11 0.00 -0.04 0.00 0.00 33.50 31.87 1j2r n PRO 38 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1j2r s HIS 39 N -2.05 2.96 0.69 0.54 3.76 -1.26 -5.08 115.29 114.85 1j2r s HIS 39 Ca 0.38 0.03 -0.11 0.00 -0.15 0.00 0.00 55.06 55.21 1j2r s HIS 39 Cb 0.21 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 32.22 1j2r s HIS 39 CO 0.36 0.37 1.07 0.95 -0.85 0.00 0.00 174.74 176.64 1j2r s THR 40 N -0.90 3.91 0.20 1.30 -4.23 -1.26 -4.67 115.64 109.98 1j2r s THR 40 Ca 0.15 0.62 -0.11 0.00 -1.18 0.00 0.00 61.69 61.17 1j2r s THR 40 Cb -0.11 -3.56 0.12 0.00 1.34 0.00 0.00 72.50 70.30 1j2r s THR 40 CO 0.04 -0.81 1.76 0.00 -0.54 0.00 0.00 174.62 175.07 1j2r h ALA 41 N -0.60 0.74 -0.56 3.99 0.00 -1.87 -1.06 119.26 119.90 1j2r h ALA 41 Ca -0.45 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.47 1j2r h ALA 41 Cb 1.23 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1j2r h ALA 41 CO 0.62 -0.16 0.10 -0.44 0.00 0.00 0.00 179.25 179.38 1j2r h ASP 42 N 0.44 0.83 -0.37 0.00 3.32 -1.94 -0.78 116.42 117.92 1j2r h ASP 42 Ca 0.28 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1j2r h ASP 42 Cb 0.29 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1j2r h ASP 42 CO -0.26 0.83 0.21 -0.33 -1.72 0.00 0.00 179.24 177.98 1j2r h GLU 43 N 0.84 0.51 -0.76 3.56 5.08 -1.78 -0.86 114.58 121.17 1j2r h GLU 43 Ca 0.18 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1j2r h GLU 43 Cb 0.35 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1j2r h GLU 43 CO 0.00 0.41 0.33 0.28 -1.00 0.00 0.00 179.01 179.04 1j2r h VAL 44 N 0.48 1.25 -0.26 3.13 2.07 -0.76 -1.10 116.25 121.06 1j2r h VAL 44 Ca 0.13 -0.75 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 1j2r h VAL 44 Cb 0.04 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1j2r h VAL 44 CO -0.02 0.31 0.02 0.58 0.02 0.00 0.00 177.57 178.47 1j2r h VAL 45 N 1.09 1.25 -0.63 2.57 2.07 -1.00 0.72 116.25 122.32 1j2r h VAL 45 Ca 0.26 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1j2r h VAL 45 Cb 0.17 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1j2r h VAL 45 CO -0.03 0.27 0.27 0.78 0.02 0.00 0.00 177.57 178.89 1j2r h ASN 46 N 0.23 0.85 -0.43 0.57 2.35 -1.01 -0.61 115.58 117.54 1j2r h ASN 46 Ca 0.07 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 1j2r h ASN 46 Cb 0.39 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1j2r h ASN 46 CO 0.01 0.77 0.06 0.03 -1.65 0.00 0.00 177.43 176.65 1j2r h ARG 47 N 0.87 0.72 -0.56 0.81 3.08 -1.07 -2.08 114.38 116.15 1j2r h ARG 47 Ca 0.21 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1j2r h ARG 47 Cb 0.17 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1j2r h ARG 47 CO -0.02 0.76 0.32 0.00 -1.07 0.00 0.00 179.97 179.95 1j2r h ALA 48 N 0.93 1.50 -0.35 0.04 0.00 -0.61 -0.84 119.26 119.93 1j2r h ALA 48 Ca 0.13 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1j2r h ALA 48 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j2r h ALA 48 CO 0.01 0.42 -0.15 0.78 0.00 0.00 0.00 179.25 180.31 1j2r h GLY 49 N 0.84 0.69 1.07 0.00 0.00 -0.78 0.61 103.07 105.50 1j2r h GLY 49 Ca 0.20 -0.52 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 1j2r h GLY 49 CO -0.03 0.48 -0.44 0.50 0.00 0.00 0.00 176.54 177.05 1j2r h LYS 50 N 0.58 0.80 -0.40 4.80 1.57 -0.75 -0.87 116.57 122.30 1j2r h LYS 50 Ca 0.10 -0.48 0.03 0.00 -1.87 0.00 0.00 60.65 58.43 1j2r h LYS 50 Cb 0.59 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1j2r h LYS 50 CO 0.04 1.11 0.19 -0.07 -0.57 0.00 0.00 179.45 180.16 1j2r h LEU 51 N 0.57 0.28 -0.83 2.94 3.38 -1.00 -2.35 115.31 118.29 1j2r h LEU 51 Ca 0.03 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1j2r h LEU 51 Cb 1.04 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 1j2r h LEU 51 CO 0.10 0.20 0.22 0.00 0.09 0.00 0.00 178.44 179.05 1j2r h ALA 52 N 1.21 1.05 -0.80 1.53 0.00 -0.76 -1.59 119.26 119.90 1j2r h ALA 52 Ca 0.17 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1j2r h ALA 52 Cb 0.08 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1j2r h ALA 52 CO -0.12 0.64 0.52 0.00 0.00 0.00 0.00 179.25 180.29 1j2r h ALA 53 N 1.18 1.03 -0.39 0.00 0.00 -0.94 0.10 119.26 120.26 1j2r h ALA 53 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1j2r h ALA 53 Cb 0.30 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1j2r h ALA 53 CO -0.01 0.38 0.05 -0.22 0.00 0.00 0.00 179.25 179.45 1j2r h LYS 54 N 1.04 0.65 -0.46 0.00 1.63 -0.91 -1.52 116.57 117.00 1j2r h LYS 54 Ca 0.31 -0.18 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 1j2r h LYS 54 Cb -0.06 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 1j2r h LYS 54 CO -0.09 0.72 0.23 0.74 -3.45 0.00 0.00 179.45 177.60 1j2r h PHE 55 N 0.49 0.66 -0.96 1.91 -1.00 -0.88 -2.01 116.94 115.15 1j2r h PHE 55 Ca 0.12 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1j2r h PHE 55 Cb 0.39 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.70 1j2r h PHE 55 CO 0.03 0.52 0.61 0.00 -1.61 0.00 0.00 178.31 177.86 1j2r h ARG 56 N 0.61 1.28 0.00 1.51 3.08 -0.90 -1.14 114.38 118.82 1j2r h ARG 56 Ca 0.16 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1j2r h ARG 56 Cb 0.10 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1j2r h ARG 56 CO -0.02 0.87 -0.21 0.00 -1.07 0.00 0.00 179.97 179.55 1j2r h ALA 57 N 1.36 1.13 -0.01 0.04 0.00 -1.04 -2.21 119.26 118.52 1j2r h ALA 57 Ca 0.35 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1j2r h ALA 57 Cb -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1j2r h ALA 57 CO -0.07 0.26 -0.16 0.43 0.00 0.00 0.00 179.25 179.71 1j2r n SER 58 N -3.52 1.03 -1.24 0.00 7.64 -0.77 -4.96 113.62 111.80 1j2r n SER 58 Ca -0.01 -1.00 -0.11 0.00 1.01 0.00 0.00 58.87 58.76 1j2r n SER 58 Cb 0.36 0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.62 1j2r n SER 58 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j2r n GLY 59 N 1.28 -0.03 3.61 0.23 0.00 -0.83 -4.98 105.19 104.46 1j2r n GLY 59 Ca 0.15 -0.43 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1j2r n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j2r s GLN 60 N -4.49 2.23 0.30 1.61 -1.52 -0.50 -5.03 119.66 112.26 1j2r s GLN 60 Ca 0.00 -1.09 -0.29 0.00 -1.95 0.00 0.00 55.36 52.03 1j2r s GLN 60 Cb 0.00 -2.31 -0.10 0.00 -0.22 0.00 0.00 33.01 30.38 1j2r s GLN 60 CO 0.00 0.48 1.31 -2.14 -0.25 0.00 0.00 175.29 174.69 1j2r s PRO 61 N -2.56 4.36 -0.21 2.91 0.02 -1.26 -4.28 135.00 133.98 1j2r s PRO 61 Ca 0.24 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.44 1j2r s PRO 61 Cb -0.10 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.33 1j2r s PRO 61 CO 0.16 -0.20 -0.11 0.08 -0.33 0.00 0.00 177.00 176.59 1j2r s VAL 62 N -0.84 2.70 -0.34 3.83 1.01 -1.26 -1.87 120.40 123.62 1j2r s VAL 62 Ca 0.51 -0.81 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 1j2r s VAL 62 Cb -0.39 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 1j2r s VAL 62 CO 0.49 0.42 0.21 -0.36 0.00 0.00 0.00 175.10 175.86 1j2r s PHE 63 N 1.36 3.21 -0.45 5.22 0.40 0.35 -0.67 117.98 127.40 1j2r s PHE 63 Ca 0.04 -0.51 -0.15 0.00 -0.60 0.00 0.00 56.93 55.71 1j2r s PHE 63 Cb -0.14 -2.43 0.05 0.00 0.51 0.00 0.00 43.02 41.01 1j2r s PHE 63 CO -0.08 -0.47 0.36 -0.51 0.70 0.00 0.00 175.22 175.22 1j2r s LEU 64 N 1.65 5.42 -0.12 -0.37 1.43 -0.21 -0.95 118.68 125.53 1j2r s LEU 64 Ca 0.05 -1.18 -0.14 0.00 -1.03 0.00 0.00 54.13 51.83 1j2r s LEU 64 Cb -0.18 -2.17 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1j2r s LEU 64 CO 0.08 -0.57 0.32 -0.69 0.23 0.00 0.00 176.35 175.72 1j2r s VAL 65 N 1.65 5.26 0.09 -1.59 1.01 -0.34 -1.27 120.40 125.20 1j2r s VAL 65 Ca 0.04 0.61 0.04 0.00 0.00 0.00 0.00 61.98 62.67 1j2r s VAL 65 Cb -0.22 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 1j2r s VAL 65 CO 0.08 0.45 -0.10 -0.13 0.00 0.00 0.00 175.10 175.40 1j2r s ARG 66 N -0.04 0.81 0.05 2.72 0.52 -0.38 -0.85 118.95 121.78 1j2r s ARG 66 Ca 0.19 -1.09 0.09 0.00 -0.52 0.00 0.00 55.73 54.40 1j2r s ARG 66 Cb -0.14 -0.54 -0.03 0.00 0.52 0.00 0.00 34.95 34.76 1j2r s ARG 66 CO 0.07 0.09 -0.25 0.54 0.02 0.00 0.00 175.30 175.76 1j2r s VAL 67 N -2.19 2.05 -3.52 3.52 0.11 -1.26 -0.91 120.40 118.21 1j2r s VAL 67 Ca 0.03 -1.39 0.00 0.00 -2.93 0.00 0.00 61.98 57.69 1j2r s VAL 67 Cb -0.04 -1.77 0.00 0.00 -1.53 0.00 0.00 36.38 33.04 1j2r s VAL 67 CO 0.00 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1j2r n GLY 68 N 1.71 -1.85 3.19 6.54 0.00 -1.02 -4.94 105.19 108.82 1j2r n GLY 68 Ca -0.17 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 1j2r n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1j2r s TRP 69 N -2.52 0.15 0.98 1.61 0.51 -1.26 -4.57 118.94 113.84 1j2r s TRP 69 Ca 0.00 -0.53 -0.12 0.00 -2.12 0.00 0.00 56.10 53.32 1j2r s TRP 69 Cb 0.00 -0.07 0.17 0.00 -0.81 0.00 0.00 33.47 32.76 1j2r s TRP 69 CO 0.00 -0.50 1.10 -1.12 -0.51 0.00 0.00 176.95 175.92 1j2r s SER 70 N -2.66 2.83 0.44 2.95 0.01 -1.26 -4.88 113.70 111.14 1j2r s SER 70 Ca 0.02 1.21 0.16 0.00 1.31 0.00 0.00 55.95 58.65 1j2r s SER 70 Cb 0.03 -1.87 1.08 0.00 0.21 0.00 0.00 66.02 65.48 1j2r s SER 70 CO -0.09 -3.00 1.97 0.00 0.41 0.00 0.00 173.24 172.52 1j2r h ALA 71 N -1.80 2.10 -0.00 1.44 0.00 -2.01 0.36 119.26 119.34 1j2r h ALA 71 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1j2r h ALA 71 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1j2r h ALA 71 CO 0.58 -0.25 -0.05 -0.40 0.00 0.00 0.00 179.25 179.13 1j2r n ASP 72 N -4.46 0.21 -1.81 0.00 5.68 -1.26 -4.92 116.55 110.00 1j2r n ASP 72 Ca 0.11 -0.45 -0.20 0.00 -0.50 0.00 0.00 54.79 53.74 1j2r n ASP 72 Cb 0.44 -0.16 -0.06 0.00 -1.14 0.00 0.00 41.12 40.20 1j2r n ASP 72 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1j2r n TYR 73 N -1.09 -0.30 0.22 2.11 4.01 0.11 -4.87 117.16 117.35 1j2r n TYR 73 Ca 0.16 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.96 1j2r n TYR 73 Cb 0.24 -3.58 0.55 0.00 -0.31 0.00 0.00 39.34 36.24 1j2r n TYR 73 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1j2r h ALA 74 N 0.30 1.81 -0.01 -0.72 0.00 -1.91 -2.16 119.26 116.57 1j2r h ALA 74 Ca -0.44 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1j2r h ALA 74 Cb 1.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1j2r h ALA 74 CO 0.60 0.15 -0.02 0.39 0.00 0.00 0.00 179.25 180.37 1j2r n GLU 75 N -4.41 1.39 -2.81 0.00 4.71 -1.26 -4.92 120.64 113.34 1j2r n GLU 75 Ca -0.02 -0.65 -0.31 0.00 -0.01 0.00 0.00 57.16 56.17 1j2r n GLU 75 Cb 0.18 -1.49 -0.03 0.00 -1.01 0.00 0.00 31.44 29.09 1j2r n GLU 75 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j2r s ALA 76 N -2.06 3.31 0.05 0.62 0.00 -0.81 -4.91 121.76 117.97 1j2r s ALA 76 Ca 0.39 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 51.91 1j2r s ALA 76 Cb 0.21 -2.76 -0.05 0.00 0.00 0.00 0.00 23.12 20.52 1j2r s ALA 76 CO 0.36 -0.02 1.05 -0.51 0.00 0.00 0.00 175.76 176.64 1j2r s LEU 77 N -3.83 4.40 -0.02 0.00 1.43 -1.26 -4.96 118.68 114.44 1j2r s LEU 77 Ca 0.52 1.82 0.03 0.00 -1.03 0.00 0.00 54.13 55.47 1j2r s LEU 77 Cb -0.10 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.58 1j2r s LEU 77 CO 0.31 -0.28 0.95 0.29 0.23 0.00 0.00 176.35 177.85 1j2r n LYS 78 N 3.57 2.22 -1.75 1.70 4.01 -1.26 -5.06 118.16 121.59 1j2r n LYS 78 Ca 0.06 -1.50 -0.38 0.00 -0.51 0.00 0.00 58.31 55.97 1j2r n LYS 78 Cb 0.49 -0.99 0.05 0.00 -0.51 0.00 0.00 35.03 34.07 1j2r n LYS 78 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 1j2r s GLN 79 N -1.11 2.94 0.32 1.97 1.11 -1.26 -4.93 119.66 118.70 1j2r s GLN 79 Ca 0.05 2.20 -0.29 0.00 0.01 0.00 0.00 55.36 57.33 1j2r s GLN 79 Cb 0.04 -2.13 -0.11 0.00 -1.01 0.00 0.00 33.01 29.81 1j2r s GLN 79 CO 0.00 -1.34 1.51 -1.25 0.01 0.00 0.00 175.29 174.22 1j2r s PRO 80 N -3.06 4.16 0.08 2.91 0.04 -1.26 -5.02 135.00 132.85 1j2r s PRO 80 Ca 0.75 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 64.28 1j2r s PRO 80 Cb -0.40 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 1j2r s PRO 80 CO 0.46 -0.53 0.04 0.14 0.04 0.00 0.00 177.00 177.15 1j2r s VAL 81 N -0.52 0.17 0.30 -0.36 -7.23 -1.26 -5.07 120.40 106.43 1j2r s VAL 81 Ca 0.57 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1j2r s VAL 81 Cb -0.46 -1.66 0.09 0.00 0.56 0.00 0.00 36.38 34.91 1j2r s VAL 81 CO 0.53 -0.78 1.76 0.44 -0.31 0.00 0.00 175.10 176.75 1j2r h ASP 82 N 3.00 0.41 -2.32 4.85 3.32 -2.06 -3.36 116.42 120.26 1j2r h ASP 82 Ca -0.34 -0.13 -0.59 0.00 0.02 0.00 0.00 57.03 55.99 1j2r h ASP 82 Cb 1.17 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 40.20 1j2r h ASP 82 CO 0.62 0.65 -0.78 0.00 -1.72 0.00 0.00 179.24 178.01 1j2r n ALA 83 N -2.48 3.35 -1.66 3.45 0.00 -1.26 -5.11 120.51 116.80 1j2r n ALA 83 Ca -0.00 -4.15 -0.34 0.00 0.00 0.00 0.00 53.44 48.95 1j2r n ALA 83 Cb 0.38 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.96 1j2r n ALA 83 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1j2r s PRO 84 N -1.64 3.21 -0.02 0.00 0.04 -1.26 -5.04 135.00 130.29 1j2r s PRO 84 Ca 0.35 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 1j2r s PRO 84 Cb 0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1j2r s PRO 84 CO -0.09 -0.93 0.48 -1.12 0.04 0.00 0.00 177.00 175.38 1j2r s SER 85 N -2.31 6.84 0.28 6.66 0.01 -1.26 -5.06 113.70 118.86 1j2r s SER 85 Ca 0.68 1.00 -0.29 0.00 1.31 0.00 0.00 55.95 58.65 1j2r s SER 85 Cb -0.20 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.64 1j2r s SER 85 CO 0.33 0.20 1.28 -2.16 0.41 0.00 0.00 173.24 173.31 1j2r s PRO 86 N -0.51 4.40 -1.58 12.44 0.04 -1.26 -4.92 135.00 143.62 1j2r s PRO 86 Ca 0.26 2.11 -0.10 0.00 0.04 0.00 0.00 61.00 63.31 1j2r s PRO 86 Cb -0.17 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.19 1j2r s PRO 86 CO 0.14 -0.16 2.83 0.00 0.04 0.00 0.00 177.00 179.85 1j2r n ALA 87 N 1.53 7.33 -2.02 8.56 0.00 -1.26 -4.95 120.51 129.70 1j2r n ALA 87 Ca 0.02 -3.63 -0.30 0.00 0.00 0.00 0.00 53.44 49.53 1j2r n ALA 87 Cb 0.42 -3.31 -0.00 0.00 0.00 0.00 0.00 19.45 16.56 1j2r n ALA 87 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1j2r s LYS 88 N 1.82 3.65 0.21 0.00 2.47 -1.26 -5.01 119.74 121.62 1j2r s LYS 88 Ca 0.66 0.58 -0.32 0.00 -1.56 0.00 0.00 55.97 55.33 1j2r s LYS 88 Cb 0.18 -2.21 -0.12 0.00 -1.46 0.00 0.00 37.83 34.21 1j2r s LYS 88 CO -0.07 -0.36 1.69 1.55 0.16 0.00 0.00 175.35 178.32 1j2r n VAL 89 N -2.27 0.12 -2.28 4.02 3.14 -1.26 -4.94 118.33 114.86 1j2r n VAL 89 Ca 0.04 -0.03 -0.40 0.00 -2.96 0.00 0.00 64.34 60.99 1j2r n VAL 89 Cb 0.54 -1.91 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 1j2r n VAL 89 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1j2r s LEU 90 N 0.95 4.38 0.70 6.55 1.43 -1.26 -4.99 118.68 126.44 1j2r s LEU 90 Ca 0.74 2.45 -0.16 0.00 -1.03 0.00 0.00 54.13 56.14 1j2r s LEU 90 Cb -0.53 -3.77 0.02 0.00 0.03 0.00 0.00 46.19 41.94 1j2r s LEU 90 CO 0.35 -0.48 1.22 -2.16 0.23 0.00 0.00 176.35 175.52 1j2r s PRO 91 N -1.88 2.29 0.55 1.29 0.04 -1.26 -4.88 135.00 131.16 1j2r s PRO 91 Ca 0.51 1.83 0.32 0.00 0.04 0.00 0.00 61.00 63.69 1j2r s PRO 91 Cb -0.34 -1.84 1.61 0.00 0.04 0.00 0.00 34.50 33.96 1j2r s PRO 91 CO 0.45 -1.73 2.11 0.93 0.04 0.00 0.00 177.00 178.79 1j2r h GLU 92 N -0.02 0.00 -0.18 4.56 5.08 -2.04 -1.29 114.58 120.68 1j2r h GLU 92 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1j2r h GLU 92 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1j2r h GLU 92 CO 0.51 0.08 0.00 0.27 -1.00 0.00 0.00 179.01 178.86 1j2r n ASN 93 N -3.42 1.31 -0.21 1.42 6.94 -1.26 -4.62 115.26 115.42 1j2r n ASN 93 Ca -0.02 -1.78 0.00 0.00 -0.02 0.00 0.00 54.58 52.77 1j2r n ASN 93 Cb 0.22 -0.12 0.09 0.00 -2.36 0.00 0.00 39.78 37.61 1j2r n ASN 93 CO 0.00 0.00 0.00 -0.25 -1.03 0.00 0.00 177.26 175.98 1j2r h TRP 94 N 1.61 -0.16 -0.01 -2.53 2.91 -1.58 -1.31 115.95 114.88 1j2r h TRP 94 Ca 0.00 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.07 1j2r h TRP 94 Cb 0.36 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 29.17 1j2r h TRP 94 CO 0.12 -0.21 -0.28 0.91 -1.03 0.00 0.00 178.44 177.95 1j2r n TRP 95 N -5.34 0.00 -2.00 2.65 7.02 -1.26 -1.59 117.44 116.92 1j2r n TRP 95 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.15 1j2r n TRP 95 Cb 0.35 -0.13 -0.03 0.00 -2.42 0.00 0.00 31.31 29.08 1j2r n TRP 95 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1j2r s GLN 96 N -2.53 4.25 0.01 -0.99 2.00 -0.49 -4.73 119.66 117.17 1j2r s GLN 96 Ca 0.23 2.28 -0.30 0.00 -2.00 0.00 0.00 55.36 55.57 1j2r s GLN 96 Cb 0.19 -3.17 -0.05 0.00 0.80 0.00 0.00 33.01 30.78 1j2r s GLN 96 CO 0.53 -0.54 1.30 -1.01 -0.50 0.00 0.00 175.29 175.07 1j2r s HIS 97 N 0.98 3.11 0.35 1.67 3.76 -1.26 -0.86 115.29 123.04 1j2r s HIS 97 Ca 0.67 1.04 -0.28 0.00 -0.15 0.00 0.00 55.06 56.34 1j2r s HIS 97 Cb -0.42 -3.55 -0.12 0.00 1.11 0.00 0.00 32.58 29.61 1j2r s HIS 97 CO 0.32 -1.89 1.39 -2.30 -0.85 0.00 0.00 174.74 171.42 1j2r n PRO 98 N 4.87 2.37 -0.19 8.40 -0.02 -1.26 -4.88 135.00 144.29 1j2r n PRO 98 Ca 0.11 0.83 0.17 0.00 -2.02 0.00 0.00 63.50 62.60 1j2r n PRO 98 Cb 0.45 -2.49 0.51 0.00 -0.02 0.00 0.00 33.50 31.95 1j2r n PRO 98 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1j2r h ALA 99 N 2.95 2.16 0.00 3.55 0.00 -1.99 -2.13 119.26 123.80 1j2r h ALA 99 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1j2r h ALA 99 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1j2r h ALA 99 CO 0.65 -0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1j2r n ALA 100 N -2.53 1.53 0.27 0.00 0.00 -1.26 -1.10 120.51 117.42 1j2r n ALA 100 Ca 0.16 0.05 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1j2r n ALA 100 Cb 0.60 -1.30 0.70 0.00 0.00 0.00 0.00 19.45 19.45 1j2r n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1j2r h LEU 101 N 0.00 0.00 0.31 0.00 3.38 -1.61 -3.38 115.31 114.01 1j2r h LEU 101 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1j2r h LEU 101 Cb 0.25 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.06 1j2r h LEU 101 CO 0.00 0.09 -0.48 0.61 0.09 0.00 0.00 178.44 178.74 1j2r n GLY 102 N -0.24 -0.24 3.64 0.83 0.00 -0.26 -4.65 105.19 104.26 1j2r n GLY 102 Ca -0.01 -0.05 -0.53 0.00 0.00 0.00 0.00 46.02 45.44 1j2r n GLY 102 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1j2r n THR 103 N -4.28 0.13 -4.54 2.61 -1.04 -1.26 -4.98 114.28 100.91 1j2r n THR 103 Ca -0.07 -0.02 -0.25 0.00 -2.04 0.00 0.00 64.05 61.67 1j2r n THR 103 Cb 0.58 -1.09 -0.11 0.00 -1.82 0.00 0.00 70.33 67.90 1j2r n THR 103 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1j2r s THR 104 N 1.63 1.87 0.33 12.58 -4.23 -1.26 -5.05 115.64 121.52 1j2r s THR 104 Ca 0.88 -2.08 0.27 0.00 -1.18 0.00 0.00 61.69 59.58 1j2r s THR 104 Cb -0.94 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 70.42 1j2r s THR 104 CO 0.51 -0.11 2.01 -0.78 -0.54 0.00 0.00 174.62 175.71 1j2r h ASP 105 N 1.99 0.00 1.53 3.99 3.58 -2.05 -2.16 116.42 123.30 1j2r h ASP 105 Ca -0.42 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1j2r h ASP 105 Cb 1.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1j2r h ASP 105 CO 0.74 0.14 0.00 0.77 -2.88 0.00 0.00 179.24 178.01 1j2r h SER 106 N 0.00 0.00 -3.89 2.28 4.64 -1.99 -3.45 113.55 111.14 1j2r h SER 106 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1j2r h SER 106 Cb 0.45 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.64 1j2r h SER 106 CO 0.02 0.00 0.76 -1.81 -0.87 0.00 0.00 176.83 174.93 1j2r s ASP 107 N -5.61 6.43 -0.33 4.97 1.01 -0.82 -4.82 116.67 117.51 1j2r s ASP 107 Ca 0.06 2.97 -0.18 0.00 0.71 0.00 0.00 52.55 56.11 1j2r s ASP 107 Cb 0.08 -2.66 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 1j2r s ASP 107 CO 0.60 -0.81 0.53 -0.63 0.21 0.00 0.00 175.17 175.07 1j2r s ILE 108 N -1.05 5.01 -0.22 0.77 1.01 0.15 -4.95 121.20 121.92 1j2r s ILE 108 Ca 0.53 0.50 -0.24 0.00 0.00 0.00 0.00 60.65 61.44 1j2r s ILE 108 Cb -0.45 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.06 1j2r s ILE 108 CO 0.60 -0.16 0.78 -1.61 0.00 0.00 0.00 174.94 174.55 1j2r s GLU 109 N 2.43 4.20 -0.13 2.79 0.41 -1.26 -1.05 118.70 126.10 1j2r s GLU 109 Ca 0.20 0.87 -0.02 0.00 -0.41 0.00 0.00 54.97 55.61 1j2r s GLU 109 Cb -0.15 -3.62 -0.03 0.00 -1.78 0.00 0.00 34.13 28.55 1j2r s GLU 109 CO 0.13 -0.43 -0.05 0.42 -0.49 0.00 0.00 175.26 174.84 1j2r s ILE 110 N 2.52 3.84 -0.21 -1.63 -1.09 -0.40 -4.96 121.20 119.27 1j2r s ILE 110 Ca 0.34 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 58.35 1j2r s ILE 110 Cb -0.16 -2.65 0.01 0.00 -1.58 0.00 0.00 42.46 38.08 1j2r s ILE 110 CO 0.09 0.53 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.60 1j2r s ILE 111 N -0.03 2.84 0.31 2.92 -1.09 -1.26 -1.24 121.20 123.64 1j2r s ILE 111 Ca 0.01 -0.75 0.10 0.00 -2.23 0.00 0.00 60.65 57.78 1j2r s ILE 111 Cb -0.13 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.40 1j2r s ILE 111 CO 0.03 0.42 -0.08 -1.59 -1.23 0.00 0.00 174.94 172.49 1j2r s LYS 112 N 1.39 1.96 -0.03 2.79 -2.85 -0.08 -4.73 119.74 118.18 1j2r s LYS 112 Ca 0.04 -1.71 0.04 0.00 -1.00 0.00 0.00 55.97 53.34 1j2r s LYS 112 Cb -0.14 -1.89 0.06 0.00 -2.06 0.00 0.00 37.83 33.79 1j2r s LYS 112 CO -0.07 0.25 1.01 0.54 0.10 0.00 0.00 175.35 177.18 1j2r n ARG 113 N -0.81 2.46 -0.82 1.78 5.12 -1.26 -2.43 116.66 120.70 1j2r n ARG 113 Ca -0.05 -1.68 0.00 0.00 -1.93 0.00 0.00 57.85 54.19 1j2r n ARG 113 Cb 0.61 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 1j2r n ARG 113 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1j2r n GLN 114 N -0.67 0.00 0.33 5.56 0.00 -1.26 -4.57 117.38 116.77 1j2r n GLN 114 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 57.00 56.87 1j2r n GLN 114 Cb 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.50 1j2r n GLN 114 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.06 175.57 1j2r h TRP 115 N 0.74 -0.77 -3.94 2.61 4.06 -1.94 -3.44 115.95 113.27 1j2r h TRP 115 Ca 0.00 -0.02 -0.48 0.00 2.06 0.00 0.00 58.89 60.45 1j2r h TRP 115 Cb 0.00 0.25 0.01 0.00 -1.00 0.00 0.00 29.16 28.43 1j2r h TRP 115 CO 0.00 -0.45 0.41 0.20 -3.56 0.00 0.00 178.44 175.04 1j2r s GLY 116 N -2.23 2.77 0.00 1.49 0.00 -1.26 -4.43 107.32 103.66 1j2r s GLY 116 Ca -0.17 0.69 0.19 0.00 0.00 0.00 0.00 44.72 45.43 1j2r s GLY 116 CO 0.58 1.13 1.45 0.00 0.00 0.00 0.00 173.10 176.26 1j2r n ALA 117 N 0.12 2.47 -0.13 3.20 0.00 -1.26 -4.21 120.51 120.70 1j2r n ALA 117 Ca 0.04 -0.69 -0.23 0.00 0.00 0.00 0.00 53.44 52.56 1j2r n ALA 117 Cb 0.49 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 1j2r n ALA 117 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1j2r n PHE 118 N 0.69 0.02 -1.94 0.00 3.72 -1.26 -4.53 117.46 114.16 1j2r n PHE 118 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1j2r n PHE 118 Cb 0.39 -1.00 -0.03 0.00 -0.94 0.00 0.00 39.48 37.90 1j2r n PHE 118 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1j2r s TYR 119 N -2.52 2.41 -0.25 1.38 5.04 -1.26 -1.81 117.35 120.35 1j2r s TYR 119 Ca -0.37 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 1j2r s TYR 119 Cb 0.11 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.47 1j2r s TYR 119 CO 0.56 -3.83 0.00 0.41 -1.34 0.00 0.00 175.55 171.34 1j2r n GLY 120 N 3.99 0.53 3.72 8.97 0.00 -1.26 -4.71 105.19 116.43 1j2r n GLY 120 Ca 0.16 -0.23 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 1j2r n GLY 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j2r s THR 121 N -1.85 1.13 -1.05 2.61 -4.23 -0.75 -4.97 115.64 106.53 1j2r s THR 121 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 1j2r s THR 121 Cb 0.00 -2.23 0.71 0.00 1.34 0.00 0.00 72.50 72.32 1j2r s THR 121 CO 0.00 0.00 1.61 -0.90 -0.54 0.00 0.00 174.62 174.79 1j2r n ASP 122 N -1.25 4.75 -0.04 3.99 5.75 -1.26 -4.69 116.55 123.79 1j2r n ASP 122 Ca -0.17 -2.49 -0.11 0.00 -0.01 0.00 0.00 54.79 52.01 1j2r n ASP 122 Cb 0.67 -0.59 -0.05 0.00 -1.03 0.00 0.00 41.12 40.12 1j2r n ASP 122 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1j2r h LEU 123 N 3.95 0.22 -0.51 -2.12 5.85 -1.85 -0.29 115.31 120.56 1j2r h LEU 123 Ca 0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 1j2r h LEU 123 Cb 1.48 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 1j2r h LEU 123 CO 0.26 0.30 0.23 -0.08 -0.34 0.00 0.00 178.44 178.80 1j2r h GLU 124 N 0.13 0.75 -0.41 1.25 4.81 -1.88 -0.99 114.58 118.23 1j2r h GLU 124 Ca 0.06 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.23 1j2r h GLU 124 Cb 0.14 -0.13 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1j2r h GLU 124 CO -0.01 0.64 0.07 1.25 -0.73 0.00 0.00 179.01 180.23 1j2r h LEU 125 N 0.68 -0.03 -0.31 1.64 6.46 -1.82 -0.51 115.31 121.43 1j2r h LEU 125 Ca 0.17 0.07 -0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1j2r h LEU 125 Cb 0.15 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1j2r h LEU 125 CO -0.02 0.02 -0.03 1.56 -0.62 0.00 0.00 178.44 179.35 1j2r h GLN 126 N 0.19 0.57 -0.04 1.25 1.08 -0.75 -1.11 115.11 116.30 1j2r h GLN 126 Ca 0.20 -0.20 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1j2r h GLN 126 Cb 0.25 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1j2r h GLN 126 CO -0.28 0.73 0.02 -0.07 -0.95 0.00 0.00 178.83 178.28 1j2r h LEU 127 N 0.35 0.05 -0.33 1.46 3.38 -0.85 -1.80 115.31 117.57 1j2r h LEU 127 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1j2r h LEU 127 Cb 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1j2r h LEU 127 CO 0.02 0.12 -0.05 0.03 0.09 0.00 0.00 178.44 178.66 1j2r h ARG 128 N -0.03 0.61 0.00 1.13 3.08 -1.02 -0.54 114.38 117.61 1j2r h ARG 128 Ca 0.01 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1j2r h ARG 128 Cb 0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1j2r h ARG 128 CO -0.00 0.77 -0.05 0.00 -1.07 0.00 0.00 179.97 179.62 1j2r h ARG 129 N 0.40 0.00 -0.13 0.04 3.08 -1.16 -1.90 114.38 114.70 1j2r h ARG 129 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1j2r h ARG 129 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1j2r h ARG 129 CO 0.03 0.05 0.00 0.54 -1.07 0.00 0.00 179.97 179.52 1j2r n ARG 130 N -3.16 1.83 -2.16 0.04 1.74 -0.68 -4.96 116.66 109.32 1j2r n ARG 130 Ca 0.01 -1.24 -0.08 0.00 -0.77 0.00 0.00 57.85 55.77 1j2r n ARG 130 Cb 0.36 -1.44 -0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1j2r n ARG 130 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1j2r n GLY 131 N 1.20 0.05 3.68 -0.13 0.00 -0.71 -5.00 105.19 104.27 1j2r n GLY 131 Ca 0.17 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 1j2r n GLY 131 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2r s ILE 132 N -2.41 5.17 -0.66 -0.61 -1.09 -0.24 -4.60 121.20 116.76 1j2r s ILE 132 Ca 0.00 0.85 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 1j2r s ILE 132 Cb -0.00 -3.79 -0.05 0.00 -1.58 0.00 0.00 42.46 37.04 1j2r s ILE 132 CO 0.00 0.25 0.50 -0.90 -1.23 0.00 0.00 174.94 173.57 1j2r n ASP 133 N 4.35 0.81 -3.97 3.58 5.68 -0.40 -4.56 116.55 122.03 1j2r n ASP 133 Ca -0.07 -0.90 -0.21 0.00 -0.50 0.00 0.00 54.79 53.11 1j2r n ASP 133 Cb 0.51 0.74 -0.16 0.00 -1.14 0.00 0.00 41.12 41.07 1j2r n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1j2r s THR 134 N -1.60 0.75 -0.13 2.12 2.01 -0.77 -0.64 115.64 117.39 1j2r s THR 134 Ca 0.06 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1j2r s THR 134 Cb 0.07 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.89 1j2r s THR 134 CO 0.31 0.25 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.66 1j2r s ILE 135 N 0.42 2.32 -0.26 1.82 1.01 -0.18 -1.32 121.20 125.02 1j2r s ILE 135 Ca -0.07 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.50 1j2r s ILE 135 Cb -0.11 -1.93 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1j2r s ILE 135 CO 0.01 0.54 0.51 -0.69 0.00 0.00 0.00 174.94 175.31 1j2r s VAL 136 N 0.57 5.07 -0.07 2.92 1.01 -0.10 -0.95 120.40 128.86 1j2r s VAL 136 Ca -0.12 0.88 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1j2r s VAL 136 Cb -0.16 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.36 1j2r s VAL 136 CO 0.04 0.09 -0.09 -0.22 0.00 0.00 0.00 175.10 174.91 1j2r s LEU 137 N 2.30 3.03 0.25 3.92 2.96 0.01 -0.79 118.68 130.36 1j2r s LEU 137 Ca 0.21 -0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 53.89 1j2r s LEU 137 Cb -0.16 -1.65 0.00 0.00 0.50 0.00 0.00 46.19 44.88 1j2r s LEU 137 CO 0.09 0.34 0.52 0.00 -1.32 0.00 0.00 176.35 175.98 1j2r n GLY 139 N -0.39 0.72 3.04 0.00 0.00 -0.39 -0.56 105.19 107.61 1j2r n GLY 139 Ca -0.03 -1.99 -0.24 0.00 0.00 0.00 0.00 46.02 43.76 1j2r n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j2r s ILE 140 N -1.82 1.12 0.00 -0.61 1.01 -0.66 -2.65 121.20 117.59 1j2r s ILE 140 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1j2r s ILE 140 Cb 0.00 -1.01 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 1j2r s ILE 140 CO 0.00 0.35 0.01 -0.55 0.00 0.00 0.00 174.94 174.75 1j2r s SER 141 N 0.50 5.19 0.22 3.58 0.15 -1.26 -4.49 113.70 117.58 1j2r s SER 141 Ca -0.11 0.00 -0.11 0.00 0.70 0.00 0.00 55.95 56.43 1j2r s SER 141 Cb -0.14 -1.37 0.30 0.00 -1.71 0.00 0.00 66.02 63.10 1j2r s SER 141 CO 0.03 0.27 1.65 0.74 1.20 0.00 0.00 173.24 177.13 1j2r h THR 142 N 3.45 0.44 -0.28 6.45 2.02 -1.38 -1.47 112.91 122.14 1j2r h THR 142 Ca -0.49 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 66.66 1j2r h THR 142 Cb 1.18 0.35 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1j2r h THR 142 CO 0.58 0.02 0.00 -0.46 0.37 0.00 0.00 175.52 176.03 1j2r n ASN 143 N -5.33 3.09 0.00 4.18 6.94 -1.26 -2.58 115.26 120.30 1j2r n ASN 143 Ca 0.09 -1.95 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1j2r n ASN 143 Cb 0.37 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 1j2r n ASN 143 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 1j2r n ILE 144 N 1.28 0.00 -0.02 1.53 2.08 -0.61 -4.66 119.36 118.96 1j2r n ILE 144 Ca 0.18 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.42 1j2r n ILE 144 Cb 0.56 -0.01 0.10 0.00 -0.75 0.00 0.00 39.64 39.55 1j2r n ILE 144 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1j2r h GLY 145 N 0.00 0.66 0.94 7.39 0.00 -1.75 -0.72 103.07 109.58 1j2r h GLY 145 Ca 0.00 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.68 1j2r h GLY 145 CO 0.00 0.57 0.15 -2.08 0.00 0.00 0.00 176.54 175.18 1j2r h VAL 146 N 0.51 1.17 -0.44 4.60 2.07 -1.61 -2.00 116.25 120.54 1j2r h VAL 146 Ca 0.05 -0.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.95 1j2r h VAL 146 Cb 0.87 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1j2r h VAL 146 CO 0.07 0.18 -0.26 -0.08 0.02 0.00 0.00 177.57 177.50 1j2r h GLU 147 N 0.39 0.94 -0.70 1.57 4.81 -1.27 -0.57 114.58 119.75 1j2r h GLU 147 Ca 0.11 -0.42 -0.07 0.00 -0.13 0.00 0.00 59.36 58.85 1j2r h GLU 147 Cb 0.14 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 1j2r h GLU 147 CO -0.01 1.08 0.16 0.77 -0.73 0.00 0.00 179.01 180.28 1j2r h SER 148 N 0.80 1.07 -0.45 1.04 0.02 -1.10 -0.10 113.55 114.82 1j2r h SER 148 Ca 0.10 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1j2r h SER 148 Cb 0.83 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1j2r h SER 148 CO 0.07 1.02 0.23 0.74 -1.14 0.00 0.00 176.83 177.76 1j2r h THR 149 N 1.06 1.17 -0.23 -2.27 2.02 -1.17 -2.28 112.91 111.21 1j2r h THR 149 Ca 0.22 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.91 1j2r h THR 149 Cb 0.38 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1j2r h THR 149 CO 0.00 0.18 0.03 0.00 0.37 0.00 0.00 175.52 176.11 1j2r h ALA 150 N 1.08 0.30 -0.62 6.16 0.00 -0.68 0.02 119.26 125.53 1j2r h ALA 150 Ca 0.16 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.92 1j2r h ALA 150 Cb 0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1j2r h ALA 150 CO -0.02 -0.01 0.36 0.00 0.00 0.00 0.00 179.25 179.58 1j2r h ARG 151 N 0.18 0.68 -0.03 0.00 3.08 -0.99 -0.87 114.38 116.43 1j2r h ARG 151 Ca 0.07 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j2r h ARG 151 Cb 0.34 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1j2r h ARG 151 CO 0.01 0.45 0.01 -0.91 -1.07 0.00 0.00 179.97 178.46 1j2r h ASN 152 N 0.70 0.04 -0.98 7.04 -0.26 -1.24 -2.46 115.58 118.42 1j2r h ASN 152 Ca 0.26 -0.13 0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1j2r h ASN 152 Cb 0.09 -0.01 -0.05 0.00 -1.06 0.00 0.00 38.32 37.28 1j2r h ASN 152 CO -0.13 0.16 0.65 0.00 -1.06 0.00 0.00 177.43 177.04 1j2r h ALA 153 N 0.88 1.26 -0.30 -0.83 0.00 -0.62 -1.31 119.26 118.34 1j2r h ALA 153 Ca 0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1j2r h ALA 153 Cb 0.13 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1j2r h ALA 153 CO -0.00 0.60 0.11 2.35 0.00 0.00 0.00 179.25 182.31 1j2r h TRP 154 N 1.30 0.48 0.00 0.00 7.01 -1.09 -2.04 115.95 121.61 1j2r h TRP 154 Ca 0.37 -0.04 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 1j2r h TRP 154 Cb -0.11 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.80 1j2r h TRP 154 CO -0.00 0.48 -0.20 0.93 -2.79 0.00 0.00 178.44 176.85 1j2r h GLU 155 N 0.34 0.00 0.00 2.65 5.08 -0.93 -1.27 114.58 120.45 1j2r h GLU 155 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1j2r h GLU 155 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1j2r h GLU 155 CO -0.01 0.20 0.00 1.28 -1.00 0.00 0.00 179.01 179.49 1j2r n LEU 156 N -4.30 0.00 0.00 1.33 4.77 -0.54 -4.91 117.00 113.35 1j2r n LEU 156 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 1j2r n LEU 156 Cb 0.26 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1j2r n LEU 156 CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1j2r n GLY 157 N 0.91 0.63 3.78 -0.72 0.00 -0.48 -5.07 105.19 104.24 1j2r n GLY 157 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1j2r n GLY 157 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j2r s PHE 158 N -2.00 3.38 0.28 1.61 0.08 -0.80 -5.01 117.98 115.52 1j2r s PHE 158 Ca 0.00 1.67 -0.29 0.00 0.12 0.00 0.00 56.93 58.44 1j2r s PHE 158 Cb 0.00 -3.11 -0.09 0.00 -0.57 0.00 0.00 43.02 39.24 1j2r s PHE 158 CO 0.00 -0.48 1.00 -0.80 -0.10 0.00 0.00 175.22 174.84 1j2r s ASN 159 N -1.48 7.40 -0.04 1.36 0.01 0.19 -4.40 114.94 117.99 1j2r s ASN 159 Ca 0.55 2.04 0.06 0.00 -0.71 0.00 0.00 52.86 54.79 1j2r s ASN 159 Cb -0.23 -2.61 -0.01 0.00 0.41 0.00 0.00 41.25 38.81 1j2r s ASN 159 CO 0.29 -0.03 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.86 1j2r s LEU 160 N -1.54 2.03 -0.13 0.60 1.43 -1.26 -1.01 118.68 118.81 1j2r s LEU 160 Ca 0.45 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1j2r s LEU 160 Cb -0.26 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.74 1j2r s LEU 160 CO 0.33 0.25 -0.12 -0.69 0.23 0.00 0.00 176.35 176.35 1j2r s VAL 161 N -0.30 1.36 -0.21 -1.59 1.01 -0.12 -1.29 120.40 119.26 1j2r s VAL 161 Ca 0.02 -0.52 -0.13 0.00 0.00 0.00 0.00 61.98 61.35 1j2r s VAL 161 Cb -0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.92 1j2r s VAL 161 CO 0.01 0.42 0.26 -0.63 0.00 0.00 0.00 175.10 175.16 1j2r s ILE 162 N 1.41 5.30 -0.94 2.22 -1.09 -0.07 -0.81 121.20 127.21 1j2r s ILE 162 Ca 0.02 0.41 -0.21 0.00 -2.23 0.00 0.00 60.65 58.64 1j2r s ILE 162 Cb -0.13 -3.59 0.10 0.00 -1.58 0.00 0.00 42.46 37.25 1j2r s ILE 162 CO -0.07 0.32 1.23 0.00 -1.23 0.00 0.00 174.94 175.19 1j2r s ALA 163 N 1.03 3.11 0.24 9.38 0.00 -0.74 -1.25 121.76 133.53 1j2r s ALA 163 Ca 0.13 -2.51 -0.06 0.00 0.00 0.00 0.00 51.96 49.52 1j2r s ALA 163 Cb -0.14 -4.21 0.33 0.00 0.00 0.00 0.00 23.12 19.10 1j2r s ALA 163 CO 0.05 -3.20 1.84 1.49 0.00 0.00 0.00 175.76 175.94 1j2r h GLU 164 N 9.24 0.90 -0.09 0.00 4.22 -1.41 -0.60 114.58 126.84 1j2r h GLU 164 Ca 0.14 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1j2r h GLU 164 Cb 1.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.07 1j2r h GLU 164 CO 1.23 0.60 0.00 -0.40 -2.18 0.00 0.00 179.01 178.26 1j2r n ASP 165 N -4.65 1.12 -1.25 1.04 5.75 -1.26 -2.67 116.55 114.63 1j2r n ASP 165 Ca 0.12 -1.56 -0.06 0.00 -0.01 0.00 0.00 54.79 53.28 1j2r n ASP 165 Cb 0.19 -0.06 0.20 0.00 -1.03 0.00 0.00 41.12 40.42 1j2r n ASP 165 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1j2r n ALA 166 N -0.06 4.41 -2.60 2.12 0.00 -0.24 -4.63 120.51 119.52 1j2r n ALA 166 Ca 0.16 -3.11 -0.20 0.00 0.00 0.00 0.00 53.44 50.29 1j2r n ALA 166 Cb 0.25 -0.80 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 1j2r n ALA 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2r s SER 168 N -1.97 -0.02 0.42 0.00 0.15 -1.08 -4.48 113.70 106.71 1j2r s SER 168 Ca 0.04 -0.20 0.02 0.00 0.70 0.00 0.00 55.95 56.51 1j2r s SER 168 Cb -0.09 0.26 -0.01 0.00 -1.71 0.00 0.00 66.02 64.48 1j2r s SER 168 CO 0.03 -0.46 0.06 0.00 1.20 0.00 0.00 173.24 174.07 1j2r n ALA 169 N 1.11 0.45 0.26 5.45 0.00 -0.87 -1.28 120.51 125.63 1j2r n ALA 169 Ca -0.21 -1.99 0.09 0.00 0.00 0.00 0.00 53.44 51.33 1j2r n ALA 169 Cb 0.57 1.20 0.65 0.00 0.00 0.00 0.00 19.45 21.86 1j2r n ALA 169 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2r h ALA 170 N 1.41 1.80 -2.53 0.00 0.00 -1.82 0.37 119.26 118.48 1j2r h ALA 170 Ca -0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 1j2r h ALA 170 Cb 1.13 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 1j2r h ALA 170 CO 0.55 0.08 -0.41 -1.54 0.00 0.00 0.00 179.25 177.93 1j2r s SER 171 N -6.86 0.11 0.26 0.00 1.04 -1.26 -3.95 113.70 103.05 1j2r s SER 171 Ca -0.05 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.81 1j2r s SER 171 Cb 0.16 0.30 0.40 0.00 0.10 0.00 0.00 66.02 66.98 1j2r s SER 171 CO 0.65 -0.63 1.88 0.00 0.98 0.00 0.00 173.24 176.12 1j2r h ALA 172 N 3.14 1.38 -0.72 5.32 0.00 -1.83 -2.00 119.26 124.54 1j2r h ALA 172 Ca -0.33 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1j2r h ALA 172 Cb 1.19 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1j2r h ALA 172 CO 0.53 0.45 0.47 0.93 0.00 0.00 0.00 179.25 181.63 1j2r h GLU 173 N 1.18 0.92 -0.33 0.00 3.07 -1.96 0.14 114.58 117.59 1j2r h GLU 173 Ca 0.43 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 59.10 1j2r h GLU 173 Cb 0.15 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1j2r h GLU 173 CO -0.17 0.61 -0.32 1.96 -1.40 0.00 0.00 179.01 179.69 1j2r h GLN 174 N 0.95 0.80 0.09 2.33 4.20 -1.84 -0.59 115.11 121.05 1j2r h GLN 174 Ca 0.27 -0.42 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1j2r h GLN 174 Cb -0.07 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1j2r h GLN 174 CO -0.07 1.05 -0.07 1.25 -0.67 0.00 0.00 178.83 180.32 1j2r h HIS 175 N 0.58 -0.18 -0.68 2.96 2.76 -1.11 -2.94 115.15 116.56 1j2r h HIS 175 Ca 0.05 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.20 1j2r h HIS 175 Cb 0.90 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.89 1j2r h HIS 175 CO 0.07 -0.11 0.31 -0.91 -1.30 0.00 0.00 177.93 175.99 1j2r h ASN 176 N -0.17 0.87 -0.55 3.26 2.35 -0.67 -1.21 115.58 119.46 1j2r h ASN 176 Ca -0.00 -0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 1j2r h ASN 176 Cb 0.15 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 1j2r h ASN 176 CO -0.00 0.75 0.35 -1.13 -1.65 0.00 0.00 177.43 175.74 1j2r h ASN 177 N 0.96 0.58 -0.24 5.81 -1.24 -0.99 0.56 115.58 121.03 1j2r h ASN 177 Ca 0.23 -0.00 -0.10 0.00 0.71 0.00 0.00 56.30 57.14 1j2r h ASN 177 Cb 0.12 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 1j2r h ASN 177 CO -0.03 0.41 -0.23 0.28 -1.29 0.00 0.00 177.43 176.58 1j2r h SER 178 N 0.70 0.61 -0.33 1.15 0.02 -1.31 -0.63 113.55 113.77 1j2r h SER 178 Ca 0.21 -0.47 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 1j2r h SER 178 Cb -0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1j2r h SER 178 CO -0.07 0.95 0.18 0.40 -1.14 0.00 0.00 176.83 177.15 1j2r h ILE 179 N 0.27 1.12 0.08 3.27 1.08 -1.00 -0.20 117.51 122.13 1j2r h ILE 179 Ca 0.04 -0.31 -0.31 0.00 -0.39 0.00 0.00 64.86 63.89 1j2r h ILE 179 Cb 0.78 0.65 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 1j2r h ILE 179 CO 0.06 0.13 -1.67 0.78 -0.69 0.00 0.00 178.15 176.76 1j2r h ASN 180 N 0.49 0.25 0.00 1.72 -0.26 -0.81 -3.37 115.58 113.60 1j2r h ASN 180 Ca 0.13 -0.44 -0.01 0.00 -0.56 0.00 0.00 56.30 55.41 1j2r h ASN 180 Cb 0.03 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1j2r h ASN 180 CO -0.02 1.38 -1.25 1.41 -1.06 0.00 0.00 177.43 177.89 1j2r n HIS 181 N -3.33 0.00 -0.01 1.19 8.25 -0.25 -4.72 115.22 116.35 1j2r n HIS 181 Ca -0.19 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.23 1j2r n HIS 181 Cb 1.04 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 32.00 1j2r n HIS 181 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1j2r n ILE 182 N -1.74 1.32 -0.31 1.59 2.08 -0.40 -4.73 119.36 117.17 1j2r n ILE 182 Ca -0.02 0.28 0.08 0.00 0.56 0.00 0.00 62.75 63.66 1j2r n ILE 182 Cb 0.20 -1.92 0.30 0.00 -0.75 0.00 0.00 39.64 37.46 1j2r n ILE 182 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 1j2r h TYR 183 N -0.45 0.99 0.00 1.39 0.05 -1.31 -1.62 116.97 116.02 1j2r h TYR 183 Ca 0.00 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.81 1j2r h TYR 183 Cb 0.45 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 1j2r h TYR 183 CO -0.19 0.41 -0.01 -1.35 -1.05 0.00 0.00 178.16 175.97 1j2r h PRO 184 N 0.88 0.00 0.00 4.88 0.11 -1.78 -0.29 132.00 135.80 1j2r h PRO 184 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1j2r h PRO 184 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 1j2r h PRO 184 CO -0.21 0.01 -0.24 0.54 -0.21 0.00 0.00 178.00 177.89 1j2r n ARG 185 N -3.93 0.25 0.00 1.05 1.74 -0.61 -4.14 116.66 111.02 1j2r n ARG 185 Ca -0.03 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1j2r n ARG 185 Cb 0.10 -1.74 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1j2r n ARG 185 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1j2r n ILE 186 N -2.15 0.02 -3.83 0.55 -5.35 -0.83 -5.10 119.36 102.67 1j2r n ILE 186 Ca 0.05 -0.34 -0.08 0.00 -0.27 0.00 0.00 62.75 62.12 1j2r n ILE 186 Cb 0.43 1.33 -0.02 0.00 -1.74 0.00 0.00 39.64 39.63 1j2r n ILE 186 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j2r s ALA 187 N -0.02 -1.21 -0.22 -1.28 0.00 -0.18 -4.46 121.76 114.40 1j2r s ALA 187 Ca 0.00 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 1j2r s ALA 187 Cb 0.00 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1j2r s ALA 187 CO 0.00 -1.01 0.14 1.03 0.00 0.00 0.00 175.76 175.92 1j2r s ARG 188 N -3.91 4.09 -0.27 0.00 0.52 -0.41 -4.44 118.95 114.54 1j2r s ARG 188 Ca 0.11 -0.27 -0.10 0.00 -0.52 0.00 0.00 55.73 54.95 1j2r s ARG 188 Cb -0.05 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.92 1j2r s ARG 188 CO 0.05 0.16 0.15 0.08 0.02 0.00 0.00 175.30 175.76 1j2r s VAL 189 N 0.75 5.00 0.13 3.52 1.01 -1.26 -0.90 120.40 128.65 1j2r s VAL 189 Ca 0.07 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 1j2r s VAL 189 Cb -0.13 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 1j2r s VAL 189 CO 0.02 0.29 0.08 -0.13 0.00 0.00 0.00 175.10 175.35 1j2r s ARG 190 N 1.64 0.95 0.51 2.72 1.81 -0.38 -4.96 118.95 121.25 1j2r s ARG 190 Ca 0.07 -1.42 -0.06 0.00 -1.72 0.00 0.00 55.73 52.60 1j2r s ARG 190 Cb -0.15 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 1j2r s ARG 190 CO 0.08 -0.28 0.84 -1.54 -0.68 0.00 0.00 175.30 173.72 1j2r s SER 191 N -3.04 6.23 0.27 0.23 1.04 -1.26 -1.05 113.70 116.12 1j2r s SER 191 Ca 0.24 1.02 -0.00 0.00 0.48 0.00 0.00 55.95 57.69 1j2r s SER 191 Cb 0.07 -2.27 0.51 0.00 0.10 0.00 0.00 66.02 64.43 1j2r s SER 191 CO 0.02 -0.66 1.84 0.58 0.98 0.00 0.00 173.24 176.00 1j2r h VAL 192 N 0.09 0.94 -0.05 5.02 2.07 -1.93 -1.19 116.25 121.20 1j2r h VAL 192 Ca -0.46 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 66.75 1j2r h VAL 192 Cb 1.20 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 1j2r h VAL 192 CO 0.62 0.18 -0.21 -0.08 0.02 0.00 0.00 177.57 178.09 1j2r h GLU 193 N 0.99 -0.30 -0.69 1.57 4.22 -1.99 0.69 114.58 119.07 1j2r h GLU 193 Ca 0.47 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.90 1j2r h GLU 193 Cb 0.43 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1j2r h GLU 193 CO -0.25 -0.20 0.28 0.93 -2.18 0.00 0.00 179.01 177.59 1j2r h GLU 194 N -0.31 1.03 -0.10 1.92 5.08 -1.81 -0.92 114.58 119.47 1j2r h GLU 194 Ca 0.08 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1j2r h GLU 194 Cb 0.42 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1j2r h GLU 194 CO -0.23 0.85 -0.03 0.82 -1.00 0.00 0.00 179.01 179.42 1j2r h ILE 195 N 0.98 1.30 -0.87 3.13 2.04 -0.81 -1.79 117.51 121.49 1j2r h ILE 195 Ca 0.23 -0.98 0.08 0.00 1.00 0.00 0.00 64.86 65.20 1j2r h ILE 195 Cb 0.20 1.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.96 1j2r h ILE 195 CO -0.02 0.28 0.53 -0.07 0.00 0.00 0.00 178.15 178.86 1j2r h LEU 196 N -0.13 0.79 -1.75 1.44 3.38 -0.77 -1.50 115.31 116.77 1j2r h LEU 196 Ca 0.03 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1j2r h LEU 196 Cb 0.45 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1j2r h LEU 196 CO 0.01 0.47 -0.17 0.78 0.09 0.00 0.00 178.44 179.63 1j2r h ASN 197 N 0.91 0.00 1.04 -0.43 2.35 -0.96 -2.92 115.58 115.57 1j2r h ASN 197 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 1j2r h ASN 197 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1j2r h ASN 197 CO -0.22 0.17 -0.45 0.00 -1.65 0.00 0.00 177.43 175.28 1j2r n ALA 198 N -2.39 2.74 1.12 -0.83 0.00 -0.59 -5.02 120.51 115.54 1j2r n ALA 198 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 53.44 53.36 1j2r n ALA 198 Cb 0.25 -1.26 0.20 0.00 0.00 0.00 0.00 19.45 18.64 1j2r n ALA 198 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78