#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 -0.27 -0.89 2.96 -1.26 -4.98 118.68 118.61 1j2r s LEU 13 Ca 0.00 2.55 -0.06 0.00 -0.22 0.00 0.00 54.13 56.40 1j2r s LEU 13 Cb 0.00 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.10 1j2r s LEU 13 CO 0.00 -0.75 0.04 -1.61 -1.32 0.00 0.00 176.35 172.71 1j2r s GLU 14 N 0.80 3.17 0.01 1.98 0.41 -1.26 -4.69 118.70 119.12 1j2r s GLU 14 Ca 0.66 -0.79 0.03 0.00 -0.41 0.00 0.00 54.97 54.47 1j2r s GLU 14 Cb -0.42 -3.26 -0.01 0.00 -1.78 0.00 0.00 34.13 28.67 1j2r s GLU 14 CO 0.33 -0.37 -0.11 -0.51 -0.49 0.00 0.00 175.26 174.12 1j2r s LEU 15 N 1.49 2.07 -0.54 1.80 1.43 -1.26 -5.10 118.68 118.57 1j2r s LEU 15 Ca 0.03 -0.28 -0.18 0.00 -1.03 0.00 0.00 54.13 52.67 1j2r s LEU 15 Cb -0.16 -0.52 0.09 0.00 0.03 0.00 0.00 46.19 45.63 1j2r s LEU 15 CO 0.01 0.08 0.62 0.21 0.23 0.00 0.00 176.35 177.49 1j2r s ASN 16 N -0.55 6.19 0.31 2.29 3.84 -1.26 -4.83 114.94 120.93 1j2r s ASN 16 Ca 0.02 -1.29 0.06 0.00 0.21 0.00 0.00 52.86 51.86 1j2r s ASN 16 Cb -0.05 -2.27 0.72 0.00 -0.55 0.00 0.00 41.25 39.09 1j2r s ASN 16 CO 0.00 -0.96 1.80 0.00 -2.79 0.00 0.00 177.10 175.16 1j2r h ALA 17 N 9.04 1.68 0.00 1.71 0.00 -1.93 -1.89 119.26 127.87 1j2r h ALA 17 Ca -0.29 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j2r h ALA 17 Cb 1.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1j2r h ALA 17 CO 1.02 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.90 1j2r n LYS 18 N -4.70 0.12 -0.26 0.00 4.76 -1.26 -1.97 118.16 114.86 1j2r n LYS 18 Ca 0.22 0.11 0.08 0.00 -2.87 0.00 0.00 58.31 55.85 1j2r n LYS 18 Cb 0.52 -1.50 0.17 0.00 -1.84 0.00 0.00 35.03 32.38 1j2r n LYS 18 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1j2r n THR 19 N -1.42 2.02 -4.99 -0.18 -2.24 -0.73 -4.87 114.28 101.88 1j2r n THR 19 Ca 0.07 -2.54 -0.31 0.00 -2.27 0.00 0.00 64.05 59.01 1j2r n THR 19 Cb 0.22 -0.24 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 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 -2.99 2.37 0.18 4.28 2.01 -0.83 -1.11 115.64 119.55 1j2r s THR 20 Ca 0.35 -1.17 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1j2r s THR 20 Cb 0.31 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1j2r s THR 20 CO 0.00 0.46 -0.17 0.00 -0.69 0.00 0.00 174.62 174.22 1j2r s ALA 21 N -0.76 2.04 -0.18 7.40 0.00 -0.52 -4.55 121.76 125.19 1j2r s ALA 21 Ca 0.12 -1.55 -0.09 0.00 0.00 0.00 0.00 51.96 50.44 1j2r s ALA 21 Cb -0.10 -0.16 -0.05 0.00 0.00 0.00 0.00 23.12 22.81 1j2r s ALA 21 CO 0.01 0.19 0.11 -1.17 0.00 0.00 0.00 175.76 174.91 1j2r s LEU 22 N -2.89 4.14 -0.23 0.00 2.96 -0.93 -1.04 118.68 120.69 1j2r s LEU 22 Ca 0.18 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.36 1j2r s LEU 22 Cb -0.04 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.64 1j2r s LEU 22 CO 0.07 0.23 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.50 1j2r s VAL 23 N 0.06 2.11 -0.33 1.68 1.01 -0.03 -0.65 120.40 124.25 1j2r s VAL 23 Ca 0.08 -1.38 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 1j2r s VAL 23 Cb -0.11 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.17 1j2r s VAL 23 CO -0.00 0.17 0.14 -0.69 0.00 0.00 0.00 175.10 174.71 1j2r s VAL 24 N 1.18 4.26 -0.41 2.92 1.01 -0.15 -2.07 120.40 127.15 1j2r s VAL 24 Ca -0.04 -0.73 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1j2r s VAL 24 Cb -0.17 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.95 1j2r s VAL 24 CO -0.08 -0.04 0.57 -0.63 0.00 0.00 0.00 175.10 174.91 1j2r s ILE 25 N 1.53 4.93 -1.44 2.22 -1.09 0.10 -1.23 121.20 126.23 1j2r s ILE 25 Ca 0.02 0.12 -0.08 0.00 -2.23 0.00 0.00 60.65 58.48 1j2r s ILE 25 Cb -0.18 -4.10 0.01 0.00 -1.58 0.00 0.00 42.46 36.61 1j2r s ILE 25 CO 0.05 -0.44 0.98 0.47 -1.23 0.00 0.00 174.94 174.76 1j2r n ASP 26 N 5.98 -6.19 -4.49 3.58 8.00 0.35 -1.67 116.55 122.11 1j2r n ASP 26 Ca -0.04 -0.47 -0.44 0.00 0.71 0.00 0.00 54.79 54.56 1j2r n ASP 26 Cb 0.48 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.66 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 -4.67 5.15 -4.06 0.64 4.77 -1.26 -4.68 117.00 112.89 1j2r n LEU 27 Ca -0.03 -4.25 -0.12 0.00 -0.03 0.00 0.00 56.01 51.59 1j2r n LEU 27 Cb 0.58 -1.67 -0.11 0.00 -2.33 0.00 0.00 43.42 39.89 1j2r n LEU 27 CO 0.60 0.51 -0.39 0.00 -1.33 0.00 0.00 177.39 176.78 1j2r s GLN 28 N 2.62 0.53 0.47 3.23 -2.07 -1.26 -4.27 119.66 118.91 1j2r s GLN 28 Ca 0.47 -0.81 0.16 0.00 -1.82 0.00 0.00 55.36 53.36 1j2r s GLN 28 Cb 0.00 -0.22 1.11 0.00 -1.09 0.00 0.00 33.01 32.82 1j2r s GLN 28 CO 0.03 0.03 2.05 0.93 -1.32 0.00 0.00 175.29 177.00 1j2r h GLU 29 N 4.32 0.00 0.00 9.60 4.39 -0.94 -0.95 114.58 130.99 1j2r h GLU 29 Ca -0.35 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 1j2r h GLU 29 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1j2r h GLU 29 CO 0.44 0.12 -0.08 0.78 -1.16 0.00 0.00 179.01 179.11 1j2r h GLY 30 N 0.39 0.00 0.36 -3.84 0.00 -1.40 -3.24 103.07 95.34 1j2r h GLY 30 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.09 1j2r h GLY 30 CO 0.02 0.00 -1.99 1.39 0.00 0.00 0.00 176.54 175.96 1j2r n ILE 31 N -4.24 1.08 -0.33 2.60 2.08 -0.39 -4.47 119.36 115.68 1j2r n ILE 31 Ca -0.03 -0.74 0.11 0.00 0.56 0.00 0.00 62.75 62.65 1j2r n ILE 31 Cb 0.16 -0.50 0.28 0.00 -0.75 0.00 0.00 39.64 38.84 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 0.71 -1.91 1.39 3.38 -1.52 -0.46 115.31 116.89 1j2r h LEU 32 Ca -0.31 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1j2r h LEU 32 Cb 1.80 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.52 1j2r h LEU 32 CO 0.03 0.27 0.09 -0.65 0.09 0.00 0.00 178.44 178.27 1j2r h PRO 33 N 0.73 0.00 -0.00 1.13 0.11 -1.78 -2.05 132.00 130.14 1j2r h PRO 33 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1j2r h PRO 33 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1j2r h PRO 33 CO -0.37 0.00 -0.15 1.19 -0.21 0.00 0.00 178.00 178.46 1j2r n PHE 34 N -2.56 0.00 -2.29 0.65 3.01 -0.18 -4.76 117.46 111.33 1j2r n PHE 34 Ca -0.02 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.04 1j2r n PHE 34 Cb 0.13 -0.21 -0.03 0.00 -0.01 0.00 0.00 39.48 39.36 1j2r n PHE 34 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1j2r s ALA 35 N -2.57 2.55 -0.13 4.37 0.00 -0.77 -3.91 121.76 121.29 1j2r s ALA 35 Ca 0.25 -0.84 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 1j2r s ALA 35 Cb 0.20 -4.22 -0.26 0.00 0.00 0.00 0.00 23.12 18.84 1j2r s ALA 35 CO 0.50 -3.40 0.35 0.41 0.00 0.00 0.00 175.76 173.62 1j2r n GLY 36 N 5.47 -0.57 0.00 0.00 0.00 0.54 -4.64 105.19 106.00 1j2r n GLY 36 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 1.96 0.66 0.07 -0.02 0.00 -0.60 -4.72 105.19 102.54 1j2r n GLY 37 Ca -0.32 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.45 0.37 -4.13 1.61 -0.04 -1.26 -1.83 135.00 129.27 1j2r n PRO 38 Ca 0.00 -0.13 -0.32 0.00 -0.04 0.00 0.00 63.50 63.01 1j2r n PRO 38 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.72 3.18 0.70 0.54 3.76 -1.26 -5.07 115.29 114.42 1j2r s HIS 39 Ca 0.21 0.12 -0.11 0.00 -0.15 0.00 0.00 55.06 55.13 1j2r s HIS 39 Cb 0.19 -1.67 0.01 0.00 1.11 0.00 0.00 32.58 32.22 1j2r s HIS 39 CO 0.54 0.51 1.08 0.95 -0.85 0.00 0.00 174.74 176.97 1j2r s THR 40 N -1.23 3.71 0.22 1.30 -4.23 -1.26 -4.72 115.64 109.42 1j2r s THR 40 Ca 0.24 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.23 1j2r s THR 40 Cb -0.12 -3.50 0.17 0.00 1.34 0.00 0.00 72.50 70.39 1j2r s THR 40 CO 0.16 -0.73 1.83 0.00 -0.54 0.00 0.00 174.62 175.34 1j2r h ALA 41 N -0.65 1.01 -0.54 3.99 0.00 -1.85 -0.39 119.26 120.84 1j2r h ALA 41 Ca -0.45 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.36 1j2r h ALA 41 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1j2r h ALA 41 CO 0.62 0.14 -0.07 0.22 0.00 0.00 0.00 179.25 180.16 1j2r h ASP 42 N 0.80 1.00 -0.17 0.00 3.58 -1.95 -0.32 116.42 119.36 1j2r h ASP 42 Ca 0.33 -0.34 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1j2r h ASP 42 Cb 0.18 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 1j2r h ASP 42 CO -0.18 1.10 0.10 -0.33 -2.88 0.00 0.00 179.24 177.06 1j2r h GLU 43 N 0.88 0.24 -0.56 0.28 5.08 -1.84 -0.40 114.58 118.27 1j2r h GLU 43 Ca 0.14 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1j2r h GLU 43 Cb 0.63 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 1j2r h GLU 43 CO 0.04 0.21 0.33 0.28 -1.00 0.00 0.00 179.01 178.87 1j2r h VAL 44 N 0.20 1.17 -0.43 3.13 2.07 -0.84 -0.28 116.25 121.27 1j2r h VAL 44 Ca 0.06 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.16 1j2r h VAL 44 Cb 0.03 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1j2r h VAL 44 CO -0.01 0.18 0.15 0.58 0.02 0.00 0.00 177.57 178.49 1j2r h VAL 45 N 0.75 1.21 -0.43 2.57 2.07 -0.95 0.70 116.25 122.17 1j2r h VAL 45 Ca 0.20 -0.68 -0.15 0.00 0.82 0.00 0.00 66.70 66.89 1j2r h VAL 45 Cb -0.00 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1j2r h VAL 45 CO -0.04 0.25 -0.31 0.78 0.02 0.00 0.00 177.57 178.27 1j2r h ASN 46 N 0.55 1.01 -0.21 0.57 2.35 -0.84 0.20 115.58 119.21 1j2r h ASN 46 Ca 0.14 -0.43 -0.16 0.00 -0.55 0.00 0.00 56.30 55.31 1j2r h ASN 46 Cb 0.23 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1j2r h ASN 46 CO -0.01 1.23 -0.49 0.03 -1.65 0.00 0.00 177.43 176.53 1j2r h ARG 47 N 0.81 0.70 -0.54 0.81 3.08 -0.96 -1.11 114.38 117.17 1j2r h ARG 47 Ca 0.08 -0.48 -0.02 0.00 0.07 0.00 0.00 59.98 59.64 1j2r h ARG 47 Cb 0.90 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1j2r h ARG 47 CO 0.08 1.10 0.26 0.00 -1.07 0.00 0.00 179.97 180.35 1j2r h ALA 48 N 0.60 1.45 -0.37 0.04 0.00 -0.81 -1.08 119.26 119.09 1j2r h ALA 48 Ca -0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1j2r h ALA 48 Cb 1.11 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1j2r h ALA 48 CO 0.11 0.44 -0.12 0.78 0.00 0.00 0.00 179.25 180.46 1j2r h GLY 49 N 0.86 0.70 0.98 0.00 0.00 -0.60 0.65 103.07 105.65 1j2r h GLY 49 Ca 0.19 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.95 1j2r h GLY 49 CO -0.03 0.47 0.07 0.50 0.00 0.00 0.00 176.54 177.56 1j2r h LYS 50 N 0.59 0.79 -0.36 4.80 1.57 -0.61 -0.91 116.57 122.44 1j2r h LYS 50 Ca 0.10 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1j2r h LYS 50 Cb 0.56 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1j2r h LYS 50 CO 0.03 0.80 0.22 -0.07 -0.57 0.00 0.00 179.45 179.87 1j2r h LEU 51 N 0.66 0.37 -0.83 2.94 3.38 -0.92 -2.26 115.31 118.66 1j2r h LEU 51 Ca 0.14 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1j2r h LEU 51 Cb 0.40 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 1j2r h LEU 51 CO 0.01 0.27 0.32 0.00 0.09 0.00 0.00 178.44 179.13 1j2r h ALA 52 N 1.15 1.07 -0.87 1.53 0.00 -0.68 -0.76 119.26 120.69 1j2r h ALA 52 Ca 0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1j2r h ALA 52 Cb -0.02 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1j2r h ALA 52 CO -0.05 0.66 0.47 0.00 0.00 0.00 0.00 179.25 180.33 1j2r h ALA 53 N 1.19 1.19 -0.36 0.00 0.00 -0.98 0.20 119.26 120.50 1j2r h ALA 53 Ca 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1j2r h ALA 53 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1j2r h ALA 53 CO -0.02 0.65 0.02 -0.22 0.00 0.00 0.00 179.25 179.67 1j2r h LYS 54 N 1.22 0.63 -0.53 0.00 1.63 -0.79 -1.46 116.57 117.27 1j2r h LYS 54 Ca 0.31 -0.19 -0.06 0.00 -0.85 0.00 0.00 60.65 59.86 1j2r h LYS 54 Cb 0.04 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 1j2r h LYS 54 CO -0.05 0.73 0.11 0.74 -3.45 0.00 0.00 179.45 177.53 1j2r h PHE 55 N 0.45 0.91 -0.72 1.91 -1.00 -0.78 -2.36 116.94 115.35 1j2r h PHE 55 Ca 0.10 -0.12 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 1j2r h PHE 55 Cb 0.43 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.71 1j2r h PHE 55 CO 0.03 0.81 0.43 0.00 -1.61 0.00 0.00 178.31 177.97 1j2r h ARG 56 N 0.75 0.97 0.00 1.51 3.08 -0.86 -1.31 114.38 118.52 1j2r h ARG 56 Ca 0.16 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1j2r h ARG 56 Cb 0.37 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1j2r h ARG 56 CO 0.01 0.68 0.00 0.00 -1.07 0.00 0.00 179.97 179.59 1j2r h ALA 57 N 1.49 1.00 -0.08 0.04 0.00 -0.92 -1.91 119.26 118.88 1j2r h ALA 57 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j2r h ALA 57 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1j2r h ALA 57 CO -0.05 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.63 1j2r n SER 58 N -2.45 2.54 -1.31 0.00 7.64 -0.57 -4.96 113.62 114.51 1j2r n SER 58 Ca 0.02 -1.84 -0.12 0.00 1.01 0.00 0.00 58.87 57.94 1j2r n SER 58 Cb 0.27 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.43 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 1.30 0.04 3.63 0.23 0.00 -0.72 -4.89 105.19 104.79 1j2r n GLY 59 Ca 0.16 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 -4.42 2.29 0.26 1.61 -1.52 -0.74 -5.03 119.66 112.11 1j2r s GLN 60 Ca 0.00 -1.19 -0.30 0.00 -1.95 0.00 0.00 55.36 51.92 1j2r s GLN 60 Cb 0.00 -2.28 -0.10 0.00 -0.22 0.00 0.00 33.01 30.41 1j2r s GLN 60 CO 0.00 0.44 1.40 -2.14 -0.25 0.00 0.00 175.29 174.74 1j2r s PRO 61 N -3.00 4.29 -0.26 2.91 0.02 -1.26 -4.33 135.00 133.38 1j2r s PRO 61 Ca 0.27 2.27 -0.02 0.00 0.02 0.00 0.00 61.00 63.54 1j2r s PRO 61 Cb -0.09 -3.11 0.03 0.00 0.02 0.00 0.00 34.50 31.35 1j2r s PRO 61 CO 0.18 -0.36 -0.04 0.08 -0.33 0.00 0.00 177.00 176.53 1j2r s VAL 62 N -0.24 3.02 -0.40 3.83 1.01 -1.26 -2.19 120.40 124.16 1j2r s VAL 62 Ca 0.57 -1.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.35 1j2r s VAL 62 Cb -0.41 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1j2r s VAL 62 CO 0.45 0.14 0.40 -0.36 0.00 0.00 0.00 175.10 175.73 1j2r s PHE 63 N 1.34 3.19 -0.45 5.22 0.40 0.17 -0.67 117.98 127.17 1j2r s PHE 63 Ca -0.00 -0.35 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 1j2r s PHE 63 Cb -0.17 -2.79 0.04 0.00 0.51 0.00 0.00 43.02 40.61 1j2r s PHE 63 CO -0.03 -0.63 0.49 -0.51 0.70 0.00 0.00 175.22 175.23 1j2r s LEU 64 N 2.03 5.01 -0.14 -0.37 1.43 -0.16 -0.97 118.68 125.50 1j2r s LEU 64 Ca 0.11 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1j2r s LEU 64 Cb -0.17 -2.38 -0.05 0.00 0.03 0.00 0.00 46.19 43.62 1j2r s LEU 64 CO 0.13 -0.68 0.23 -0.69 0.23 0.00 0.00 176.35 175.57 1j2r s VAL 65 N 2.20 5.35 0.09 -1.59 1.01 -0.36 -1.25 120.40 125.85 1j2r s VAL 65 Ca 0.12 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.57 1j2r s VAL 65 Cb -0.19 -3.55 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1j2r s VAL 65 CO 0.12 0.48 -0.14 -0.13 0.00 0.00 0.00 175.10 175.43 1j2r s ARG 66 N -0.09 0.90 0.03 2.72 0.52 -0.17 -0.50 118.95 122.36 1j2r s ARG 66 Ca 0.15 -1.09 0.06 0.00 -0.52 0.00 0.00 55.73 54.33 1j2r s ARG 66 Cb -0.13 -0.81 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 1j2r s ARG 66 CO 0.04 0.16 -0.16 0.54 0.02 0.00 0.00 175.30 175.90 1j2r s VAL 67 N -1.77 2.95 -3.83 3.52 0.11 -1.26 -1.02 120.40 119.09 1j2r s VAL 67 Ca 0.03 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.01 1j2r s VAL 67 Cb -0.07 -2.24 0.00 0.00 -1.53 0.00 0.00 36.38 32.54 1j2r s VAL 67 CO 0.02 0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 1j2r n GLY 68 N 1.64 -2.07 3.12 6.54 0.00 -1.03 -4.95 105.19 108.45 1j2r n GLY 68 Ca -0.16 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.39 0.23 1.03 1.61 0.51 -1.26 -4.53 118.94 114.14 1j2r s TRP 69 Ca 0.00 -0.58 -0.12 0.00 -2.12 0.00 0.00 56.10 53.28 1j2r s TRP 69 Cb 0.00 -0.16 0.21 0.00 -0.81 0.00 0.00 33.47 32.71 1j2r s TRP 69 CO 0.00 -0.39 1.07 -1.12 -0.51 0.00 0.00 176.95 176.00 1j2r s SER 70 N -2.32 2.22 0.49 2.95 0.01 -1.26 -4.85 113.70 110.93 1j2r s SER 70 Ca -0.02 1.45 0.19 0.00 1.31 0.00 0.00 55.95 58.87 1j2r s SER 70 Cb 0.01 -2.14 1.22 0.00 0.21 0.00 0.00 66.02 65.32 1j2r s SER 70 CO -0.06 -3.42 2.02 0.00 0.41 0.00 0.00 173.24 172.19 1j2r h ALA 71 N -2.09 2.20 -0.01 1.44 0.00 -2.01 -0.32 119.26 118.48 1j2r h ALA 71 Ca -0.55 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1j2r h ALA 71 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1j2r h ALA 71 CO 0.53 -0.32 -0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1j2r n ASP 72 N -4.45 0.60 -2.01 0.00 5.68 -1.26 -4.93 116.55 110.18 1j2r n ASP 72 Ca 0.07 -1.18 -0.16 0.00 -0.50 0.00 0.00 54.79 53.02 1j2r n ASP 72 Cb 0.41 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.36 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 -0.54 -0.81 0.23 2.11 4.01 -0.13 -4.86 117.16 117.17 1j2r n TYR 73 Ca 0.22 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.02 1j2r n TYR 73 Cb 0.21 -3.11 0.55 0.00 -0.31 0.00 0.00 39.34 36.68 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 0.78 1.68 -0.01 -0.72 0.00 -1.92 -2.22 119.26 116.86 1j2r h ALA 74 Ca -0.36 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1j2r h ALA 74 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1j2r h ALA 74 CO 0.46 0.19 -0.09 0.39 0.00 0.00 0.00 179.25 180.20 1j2r n GLU 75 N -4.27 1.03 -2.87 0.00 4.71 -1.26 -4.94 120.64 113.05 1j2r n GLU 75 Ca -0.02 -0.46 -0.31 0.00 -0.01 0.00 0.00 57.16 56.35 1j2r n GLU 75 Cb 0.23 -1.49 -0.04 0.00 -1.01 0.00 0.00 31.44 29.12 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 -2.28 3.27 0.06 0.62 0.00 -0.84 -4.91 121.76 117.68 1j2r s ALA 76 Ca 0.33 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 1j2r s ALA 76 Cb 0.20 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.44 1j2r s ALA 76 CO 0.43 0.08 1.14 -0.51 0.00 0.00 0.00 175.76 176.90 1j2r s LEU 77 N -3.55 4.38 -0.01 0.00 1.43 -1.26 -4.95 118.68 114.72 1j2r s LEU 77 Ca 0.54 1.95 0.01 0.00 -1.03 0.00 0.00 54.13 55.60 1j2r s LEU 77 Cb -0.10 -3.58 0.01 0.00 0.03 0.00 0.00 46.19 42.55 1j2r s LEU 77 CO 0.25 -0.40 0.90 0.29 0.23 0.00 0.00 176.35 177.62 1j2r n LYS 78 N 3.76 2.24 -1.71 1.70 5.02 -1.26 -5.06 118.16 122.85 1j2r n LYS 78 Ca 0.08 -1.33 -0.38 0.00 -2.02 0.00 0.00 58.31 54.66 1j2r n LYS 78 Cb 0.47 -0.91 0.05 0.00 -0.02 0.00 0.00 35.03 34.63 1j2r n LYS 78 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1j2r n GLN 79 N -0.43 1.33 -1.87 1.97 3.00 -1.26 -4.92 117.38 115.20 1j2r n GLN 79 Ca 0.01 0.50 -0.41 0.00 -0.01 0.00 0.00 57.00 57.08 1j2r n GLN 79 Cb 0.33 -2.48 -0.02 0.00 0.00 0.00 0.00 30.24 28.07 1j2r n GLN 79 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1j2r s PRO 80 N -3.03 4.18 0.12 -1.09 0.04 -1.26 -5.02 135.00 128.94 1j2r s PRO 80 Ca 0.76 2.47 -0.01 0.00 0.04 0.00 0.00 61.00 64.27 1j2r s PRO 80 Cb -0.41 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.03 1j2r s PRO 80 CO 0.45 -0.56 0.04 0.14 0.04 0.00 0.00 177.00 177.12 1j2r s VAL 81 N 0.06 0.16 0.22 -0.36 -7.23 -1.26 -5.07 120.40 106.92 1j2r s VAL 81 Ca 0.62 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1j2r s VAL 81 Cb -0.46 -1.96 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 1j2r s VAL 81 CO 0.45 -0.56 1.54 0.44 -0.31 0.00 0.00 175.10 176.66 1j2r h ASP 82 N 2.90 0.38 -2.27 4.85 3.32 -2.06 -3.37 116.42 120.18 1j2r h ASP 82 Ca -0.35 -0.21 -0.59 0.00 0.02 0.00 0.00 57.03 55.90 1j2r h ASP 82 Cb 1.19 -0.11 -0.41 0.00 0.22 0.00 0.00 39.33 40.22 1j2r h ASP 82 CO 0.60 0.89 -0.75 0.00 -1.72 0.00 0.00 179.24 178.26 1j2r n ALA 83 N -2.49 3.49 -1.68 3.45 0.00 -1.26 -5.11 120.51 116.92 1j2r n ALA 83 Ca -0.03 -4.28 -0.34 0.00 0.00 0.00 0.00 53.44 48.79 1j2r n ALA 83 Cb 0.62 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.86 3.25 0.10 0.00 0.04 -1.26 -5.04 135.00 130.23 1j2r s PRO 84 Ca 0.36 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.63 1j2r s PRO 84 Cb 0.12 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.59 1j2r s PRO 84 CO -0.07 -0.90 0.59 -1.12 0.04 0.00 0.00 177.00 175.54 1j2r s SER 85 N -2.27 7.05 0.42 6.66 0.01 -1.26 -5.06 113.70 119.25 1j2r s SER 85 Ca 0.68 1.27 -0.24 0.00 1.31 0.00 0.00 55.95 58.98 1j2r s SER 85 Cb -0.20 -2.36 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 1j2r s SER 85 CO 0.32 0.24 1.09 -2.16 0.41 0.00 0.00 173.24 173.14 1j2r s PRO 86 N -1.27 4.04 -1.32 12.44 0.04 -1.26 -4.93 135.00 142.74 1j2r s PRO 86 Ca 0.31 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 62.88 1j2r s PRO 86 Cb -0.19 -2.52 -0.12 0.00 0.04 0.00 0.00 34.50 31.71 1j2r s PRO 86 CO 0.20 -0.27 3.07 0.00 0.04 0.00 0.00 177.00 180.03 1j2r n ALA 87 N -0.17 7.31 -2.06 8.56 0.00 -1.26 -4.95 120.51 127.94 1j2r n ALA 87 Ca 0.06 -3.19 -0.31 0.00 0.00 0.00 0.00 53.44 50.00 1j2r n ALA 87 Cb 0.49 -3.18 -0.03 0.00 0.00 0.00 0.00 19.45 16.73 1j2r n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j2r s LYS 88 N 1.99 3.79 0.12 0.00 1.02 -1.26 -5.01 119.74 120.38 1j2r s LYS 88 Ca 0.69 0.61 -0.31 0.00 0.02 0.00 0.00 55.97 56.98 1j2r s LYS 88 Cb 0.20 -2.29 -0.09 0.00 -0.52 0.00 0.00 37.83 35.14 1j2r s LYS 88 CO -0.05 -0.17 1.63 0.08 -0.92 0.00 0.00 175.35 175.91 1j2r s VAL 89 N -2.56 2.79 0.30 3.17 1.01 -1.26 -4.95 120.40 118.91 1j2r s VAL 89 Ca 0.53 0.43 -0.29 0.00 0.00 0.00 0.00 61.98 62.65 1j2r s VAL 89 Cb -0.10 -3.28 -0.10 0.00 0.00 0.00 0.00 36.38 32.90 1j2r s VAL 89 CO 0.35 0.02 1.26 -0.76 0.00 0.00 0.00 175.10 175.96 1j2r s LEU 90 N 1.93 4.46 0.70 3.92 1.43 -1.26 -4.98 118.68 124.87 1j2r s LEU 90 Ca 0.73 2.56 -0.15 0.00 -1.03 0.00 0.00 54.13 56.23 1j2r s LEU 90 Cb -0.42 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.18 1j2r s LEU 90 CO 0.32 -0.44 1.16 -2.16 0.23 0.00 0.00 176.35 175.45 1j2r s PRO 91 N -1.49 2.42 0.55 1.29 0.04 -1.26 -4.90 135.00 131.66 1j2r s PRO 91 Ca 0.49 1.57 0.28 0.00 0.04 0.00 0.00 61.00 63.38 1j2r s PRO 91 Cb -0.38 -1.89 1.62 0.00 0.04 0.00 0.00 34.50 33.90 1j2r s PRO 91 CO 0.48 -1.57 2.16 1.05 0.04 0.00 0.00 177.00 179.16 1j2r h GLU 92 N -0.20 0.00 -0.09 4.56 4.11 -2.05 -0.78 114.58 120.14 1j2r h GLU 92 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 1j2r h GLU 92 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1j2r h GLU 92 CO 0.52 0.07 0.00 0.27 0.07 0.00 0.00 179.01 179.93 1j2r n ASN 93 N -3.74 0.90 -0.19 3.06 6.94 -1.26 -4.60 115.26 116.37 1j2r n ASN 93 Ca -0.02 -1.58 -0.00 0.00 -0.02 0.00 0.00 54.58 52.95 1j2r n ASN 93 Cb 0.16 -0.06 0.08 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 1.20 -0.11 -0.01 -2.53 2.91 -1.48 -1.57 115.95 114.36 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 0.26 0.14 0.00 0.00 -0.51 0.00 0.00 29.16 29.05 1j2r h TRP 94 CO 0.06 -0.18 -0.26 0.91 -1.03 0.00 0.00 178.44 177.94 1j2r n TRP 95 N -5.30 0.00 -2.10 2.65 7.02 -1.26 -1.83 117.44 116.61 1j2r n TRP 95 Ca 0.08 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.14 1j2r n TRP 95 Cb 0.33 -0.15 -0.03 0.00 -2.42 0.00 0.00 31.31 29.03 1j2r n TRP 95 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1j2r s GLN 96 N -2.57 4.28 0.15 -0.99 -1.52 -0.59 -4.72 119.66 113.70 1j2r s GLN 96 Ca 0.23 2.14 -0.31 0.00 -1.95 0.00 0.00 55.36 55.48 1j2r s GLN 96 Cb 0.19 -3.33 -0.08 0.00 -0.22 0.00 0.00 33.01 29.57 1j2r s GLN 96 CO 0.54 -0.53 1.35 -1.01 -0.25 0.00 0.00 175.29 175.38 1j2r s HIS 97 N 1.51 3.25 0.50 0.91 3.76 -1.26 -0.63 115.29 123.33 1j2r s HIS 97 Ca 0.67 1.09 -0.22 0.00 -0.15 0.00 0.00 55.06 56.44 1j2r s HIS 97 Cb -0.38 -3.64 -0.06 0.00 1.11 0.00 0.00 32.58 29.61 1j2r s HIS 97 CO 0.30 -2.12 1.28 -2.14 -0.85 0.00 0.00 174.74 171.21 1j2r s PRO 98 N 0.52 3.43 0.44 8.40 0.02 -1.26 -4.93 135.00 141.62 1j2r s PRO 98 Ca 0.61 2.04 0.11 0.00 0.02 0.00 0.00 61.00 63.78 1j2r s PRO 98 Cb -0.36 -2.34 1.00 0.00 0.02 0.00 0.00 34.50 32.81 1j2r s PRO 98 CO 0.34 -0.90 2.05 0.00 -0.33 0.00 0.00 177.00 178.16 1j2r h ALA 99 N 1.75 1.88 0.00 -1.55 0.00 -1.99 -2.75 119.26 116.60 1j2r h ALA 99 Ca -0.50 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1j2r h ALA 99 Cb 1.28 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1j2r h ALA 99 CO 0.59 0.07 -0.00 0.00 0.00 0.00 0.00 179.25 179.90 1j2r h ALA 100 N 1.77 1.00 0.00 0.00 0.00 -1.92 -1.84 119.26 118.28 1j2r h ALA 100 Ca 0.17 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1j2r h ALA 100 Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 1j2r h ALA 100 CO -0.04 0.00 -0.07 -0.07 0.00 0.00 0.00 179.25 179.07 1j2r h LEU 101 N 0.00 0.00 0.51 0.00 4.07 -1.71 -3.40 115.31 114.78 1j2r h LEU 101 Ca -0.00 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.88 1j2r h LEU 101 Cb 0.38 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.11 1j2r h LEU 101 CO 0.00 0.07 -0.10 0.61 -1.08 0.00 0.00 178.44 177.95 1j2r n GLY 102 N -1.20 0.27 3.62 0.83 0.00 -0.69 -4.73 105.19 103.30 1j2r n GLY 102 Ca -0.03 -0.75 -0.52 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.85 0.08 -4.27 2.61 -1.04 -1.26 -4.95 114.28 101.60 1j2r n THR 103 Ca -0.05 -0.01 -0.14 0.00 -2.04 0.00 0.00 64.05 61.81 1j2r n THR 103 Cb 0.48 -1.01 -0.10 0.00 -1.82 0.00 0.00 70.33 67.88 1j2r n THR 103 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1j2r s THR 104 N 1.25 0.51 0.53 12.58 -1.32 -1.26 -5.05 115.64 122.87 1j2r s THR 104 Ca 0.87 -1.99 0.21 0.00 -1.21 0.00 0.00 61.69 59.57 1j2r s THR 104 Cb -0.94 -2.41 0.34 0.00 -1.51 0.00 0.00 72.50 67.98 1j2r s THR 104 CO 0.50 -0.19 2.07 -0.78 -2.21 0.00 0.00 174.62 174.00 1j2r h ASP 105 N 2.55 0.00 1.18 8.08 3.58 -2.05 -1.53 116.42 128.24 1j2r h ASP 105 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1j2r h ASP 105 Cb 1.23 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.28 1j2r h ASP 105 CO 0.60 0.00 -0.13 -1.54 -2.88 0.00 0.00 179.24 175.29 1j2r n SER 106 N -4.45 0.55 -4.76 2.28 3.41 -1.26 -4.82 113.62 104.57 1j2r n SER 106 Ca 0.04 0.42 -0.38 0.00 -0.26 0.00 0.00 58.87 58.69 1j2r n SER 106 Cb 0.37 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 63.84 1j2r n SER 106 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1j2r s ASP 107 N -3.95 5.88 -0.31 4.04 1.01 -0.58 -4.81 116.67 117.95 1j2r s ASP 107 Ca 0.11 2.54 -0.14 0.00 0.71 0.00 0.00 52.55 55.77 1j2r s ASP 107 Cb 0.15 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1j2r s ASP 107 CO 0.61 -1.13 0.30 -0.63 0.21 0.00 0.00 175.17 174.52 1j2r s ILE 108 N -1.40 5.23 -0.10 0.77 1.01 0.15 -4.95 121.20 121.91 1j2r s ILE 108 Ca 0.65 0.13 -0.24 0.00 0.00 0.00 0.00 60.65 61.20 1j2r s ILE 108 Cb -0.35 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 1j2r s ILE 108 CO 0.42 0.06 0.73 -1.61 0.00 0.00 0.00 174.94 174.54 1j2r s GLU 109 N 1.91 4.38 -0.10 2.79 0.41 -1.26 -0.99 118.70 125.84 1j2r s GLU 109 Ca 0.10 0.89 0.03 0.00 -0.41 0.00 0.00 54.97 55.58 1j2r s GLU 109 Cb -0.16 -3.49 -0.01 0.00 -1.78 0.00 0.00 34.13 28.69 1j2r s GLU 109 CO 0.11 -0.06 -0.19 0.42 -0.49 0.00 0.00 175.26 175.05 1j2r s ILE 110 N 1.23 2.52 -0.21 -1.63 -1.09 -0.38 -4.95 121.20 116.69 1j2r s ILE 110 Ca 0.37 -0.86 -0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1j2r s ILE 110 Cb -0.17 -2.00 -0.01 0.00 -1.58 0.00 0.00 42.46 38.69 1j2r s ILE 110 CO 0.16 0.55 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.75 1j2r s ILE 111 N 0.19 3.42 0.26 2.92 -1.09 -1.26 -1.00 121.20 124.65 1j2r s ILE 111 Ca -0.11 -0.48 0.10 0.00 -2.23 0.00 0.00 60.65 57.93 1j2r s ILE 111 Cb -0.16 -2.55 -0.05 0.00 -1.58 0.00 0.00 42.46 38.13 1j2r s ILE 111 CO 0.06 0.43 -0.09 -1.59 -1.23 0.00 0.00 174.94 172.52 1j2r s LYS 112 N 1.33 2.02 -0.03 2.79 -2.85 -0.19 -4.79 119.74 118.02 1j2r s LYS 112 Ca 0.04 -1.54 0.05 0.00 -1.00 0.00 0.00 55.97 53.52 1j2r s LYS 112 Cb -0.14 -2.00 0.11 0.00 -2.06 0.00 0.00 37.83 33.73 1j2r s LYS 112 CO -0.02 0.36 1.07 0.54 0.10 0.00 0.00 175.35 177.40 1j2r n ARG 113 N -0.69 2.65 -0.84 1.78 5.12 -1.26 -2.47 116.66 120.94 1j2r n ARG 113 Ca -0.06 -1.82 0.00 0.00 -1.93 0.00 0.00 57.85 54.04 1j2r n ARG 113 Cb 0.59 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 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 -0.57 0.00 0.41 5.56 0.00 -1.26 -4.56 117.38 116.96 1j2r n GLN 114 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 57.00 56.87 1j2r n GLN 114 Cb 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.52 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 0.75 -0.94 -3.96 2.61 4.06 -1.94 -3.44 115.95 113.09 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 0.31 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1j2r h TRP 115 CO 0.00 -0.58 0.40 0.20 -3.56 0.00 0.00 178.44 174.90 1j2r s GLY 116 N -2.08 2.72 0.00 1.49 0.00 -1.26 -4.36 107.32 103.82 1j2r s GLY 116 Ca -0.18 0.67 0.21 0.00 0.00 0.00 0.00 44.72 45.41 1j2r s GLY 116 CO 0.60 1.09 1.48 0.00 0.00 0.00 0.00 173.10 176.28 1j2r n ALA 117 N -0.06 2.49 -0.12 3.20 0.00 -1.26 -4.27 120.51 120.49 1j2r n ALA 117 Ca 0.05 -0.65 -0.23 0.00 0.00 0.00 0.00 53.44 52.61 1j2r n ALA 117 Cb 0.50 -1.02 -0.11 0.00 0.00 0.00 0.00 19.45 18.81 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 0.65 0.16 -1.92 0.00 3.72 -1.26 -4.56 117.46 114.24 1j2r n PHE 118 Ca 0.17 0.04 -0.42 0.00 -0.05 0.00 0.00 57.45 57.19 1j2r n PHE 118 Cb 0.40 -1.02 -0.03 0.00 -0.94 0.00 0.00 39.48 37.89 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 -2.51 2.18 -0.09 1.38 5.04 -1.26 -1.79 117.35 120.29 1j2r s TYR 119 Ca -0.35 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.48 1j2r s TYR 119 Cb 0.11 -3.98 0.00 0.00 0.35 0.00 0.00 41.96 38.44 1j2r s TYR 119 CO 0.57 -4.05 0.00 0.41 -1.34 0.00 0.00 175.55 171.14 1j2r n GLY 120 N 4.09 0.47 3.71 8.97 0.00 -1.26 -4.74 105.19 116.44 1j2r n GLY 120 Ca 0.17 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.90 1.01 -1.10 2.61 -4.23 -0.74 -4.98 115.64 106.31 1j2r s THR 121 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1j2r s THR 121 Cb 0.00 -2.18 0.73 0.00 1.34 0.00 0.00 72.50 72.39 1j2r s THR 121 CO 0.00 0.00 1.63 -0.90 -0.54 0.00 0.00 174.62 174.81 1j2r n ASP 122 N -1.29 4.80 0.03 3.99 5.75 -1.26 -4.67 116.55 123.90 1j2r n ASP 122 Ca -0.17 -2.47 -0.12 0.00 -0.01 0.00 0.00 54.79 52.02 1j2r n ASP 122 Cb 0.67 -0.59 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 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 4.07 0.02 -0.32 -2.12 5.85 -1.85 -0.02 115.31 120.94 1j2r h LEU 123 Ca 0.00 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1j2r h LEU 123 Cb 1.48 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.49 1j2r h LEU 123 CO 0.25 0.02 0.11 -0.08 -0.34 0.00 0.00 178.44 178.40 1j2r h GLU 124 N 0.01 0.49 -0.34 1.25 4.81 -1.89 -1.15 114.58 117.76 1j2r h GLU 124 Ca 0.01 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 1j2r h GLU 124 Cb 0.00 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 1j2r h GLU 124 CO -0.00 0.51 -0.15 1.25 -0.73 0.00 0.00 179.01 179.89 1j2r h LEU 125 N 0.36 -0.51 -0.39 1.64 6.46 -1.83 -0.94 115.31 120.11 1j2r h LEU 125 Ca 0.10 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.97 1j2r h LEU 125 Cb 0.22 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 40.42 1j2r h LEU 125 CO -0.01 -0.18 0.16 1.56 -0.62 0.00 0.00 178.44 179.35 1j2r h GLN 126 N -0.09 0.58 0.03 1.25 1.08 -0.75 -0.77 115.11 116.44 1j2r h GLN 126 Ca 0.17 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1j2r h GLN 126 Cb 0.35 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1j2r h GLN 126 CO -0.40 0.55 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.93 1j2r h LEU 127 N 0.48 -0.06 -0.50 1.46 3.38 -0.92 -1.98 115.31 117.16 1j2r h LEU 127 Ca 0.13 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1j2r h LEU 127 Cb 0.19 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1j2r h LEU 127 CO -0.01 -0.04 -0.08 0.03 0.09 0.00 0.00 178.44 178.43 1j2r h ARG 128 N -0.06 0.94 0.00 1.13 3.08 -1.00 -0.64 114.38 117.83 1j2r h ARG 128 Ca 0.00 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1j2r h ARG 128 Cb 0.06 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1j2r h ARG 128 CO -0.01 1.00 0.00 0.00 -1.07 0.00 0.00 179.97 179.89 1j2r h ARG 129 N 0.80 0.00 -0.27 0.04 3.08 -1.11 -2.15 114.38 114.77 1j2r h ARG 129 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1j2r h ARG 129 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 1j2r h ARG 129 CO 0.04 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.48 1j2r n ARG 130 N -2.98 1.98 -2.05 0.04 1.74 -0.75 -4.95 116.66 109.70 1j2r n ARG 130 Ca 0.03 -1.49 -0.08 0.00 -0.77 0.00 0.00 57.85 55.54 1j2r n ARG 130 Cb 0.42 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.44 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 1.24 0.15 3.66 -0.13 0.00 -0.81 -4.99 105.19 104.31 1j2r n GLY 131 Ca 0.17 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.40 5.04 -0.85 -0.61 -1.09 -0.27 -4.62 121.20 116.40 1j2r s ILE 132 Ca 0.00 1.14 0.10 0.00 -2.23 0.00 0.00 60.65 59.66 1j2r s ILE 132 Cb 0.00 -3.92 -0.02 0.00 -1.58 0.00 0.00 42.46 36.93 1j2r s ILE 132 CO 0.00 0.13 0.60 -0.90 -1.23 0.00 0.00 174.94 173.54 1j2r n ASP 133 N 4.93 1.09 -3.96 3.58 5.68 -0.27 -4.52 116.55 123.08 1j2r n ASP 133 Ca -0.02 -1.04 -0.19 0.00 -0.50 0.00 0.00 54.79 53.04 1j2r n ASP 133 Cb 0.50 0.57 -0.15 0.00 -1.14 0.00 0.00 41.12 40.90 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 -1.49 0.58 -0.12 2.12 2.01 -0.95 -0.82 115.64 116.97 1j2r s THR 134 Ca 0.08 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1j2r s THR 134 Cb 0.08 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 72.05 1j2r s THR 134 CO 0.29 0.19 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.60 1j2r s ILE 135 N 0.28 2.57 -0.24 1.82 1.01 0.06 -1.44 121.20 125.25 1j2r s ILE 135 Ca -0.04 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.63 1j2r s ILE 135 Cb -0.08 -2.04 -0.04 0.00 0.01 0.00 0.00 42.46 40.31 1j2r s ILE 135 CO 0.00 0.54 0.38 -0.69 0.00 0.00 0.00 174.94 175.18 1j2r s VAL 136 N 0.37 5.18 -0.07 2.92 1.01 -0.21 -0.67 120.40 128.93 1j2r s VAL 136 Ca -0.14 0.63 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1j2r s VAL 136 Cb -0.17 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1j2r s VAL 136 CO 0.07 0.20 -0.11 -0.22 0.00 0.00 0.00 175.10 175.03 1j2r s LEU 137 N 1.75 2.89 0.25 3.92 2.96 -0.06 -0.85 118.68 129.53 1j2r s LEU 137 Ca 0.17 -0.15 -0.15 0.00 -0.22 0.00 0.00 54.13 53.78 1j2r s LEU 137 Cb -0.15 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1j2r s LEU 137 CO 0.09 0.32 0.53 0.00 -1.32 0.00 0.00 176.35 175.97 1j2r n GLY 139 N -0.40 0.69 3.02 0.00 0.00 -0.16 -0.72 105.19 107.61 1j2r n GLY 139 Ca -0.02 -2.01 -0.22 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 -1.65 0.96 -0.06 -0.61 1.01 -0.67 -2.52 121.20 117.66 1j2r s ILE 140 Ca 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.20 1j2r s ILE 140 Cb 0.00 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 1j2r s ILE 140 CO 0.00 0.30 0.08 -0.55 0.00 0.00 0.00 174.94 174.77 1j2r s SER 141 N 0.38 5.80 0.25 3.58 0.15 -1.26 -4.48 113.70 118.12 1j2r s SER 141 Ca -0.07 0.25 -0.08 0.00 0.70 0.00 0.00 55.95 56.75 1j2r s SER 141 Cb -0.12 -1.73 0.42 0.00 -1.71 0.00 0.00 66.02 62.87 1j2r s SER 141 CO 0.02 0.34 1.61 0.74 1.20 0.00 0.00 173.24 177.15 1j2r h THR 142 N 3.70 0.24 -0.28 6.45 2.02 -1.32 -1.52 112.91 122.20 1j2r h THR 142 Ca -0.51 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 66.65 1j2r h THR 142 Cb 1.20 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1j2r h THR 142 CO 0.59 0.01 0.00 -0.46 0.37 0.00 0.00 175.52 176.03 1j2r n ASN 143 N -5.45 3.30 0.00 4.18 6.94 -1.26 -2.46 115.26 120.51 1j2r n ASN 143 Ca 0.13 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.71 1j2r n ASN 143 Cb 0.47 -0.18 0.00 0.00 -2.36 0.00 0.00 39.78 37.71 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 1.42 0.00 -0.14 1.53 2.08 -0.64 -4.64 119.36 118.98 1j2r n ILE 144 Ca 0.17 0.00 -0.10 0.00 0.56 0.00 0.00 62.75 63.38 1j2r n ILE 144 Cb 0.59 -0.06 0.02 0.00 -0.75 0.00 0.00 39.64 39.45 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 1.01 0.99 7.39 0.00 -1.74 -1.15 103.07 109.58 1j2r h GLY 145 Ca 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 47.33 46.43 1j2r h GLY 145 CO 0.00 0.82 0.28 -2.08 0.00 0.00 0.00 176.54 175.56 1j2r h VAL 146 N 0.80 1.14 -0.32 4.60 2.07 -1.58 -2.28 116.25 120.68 1j2r h VAL 146 Ca 0.10 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.16 1j2r h VAL 146 Cb 0.79 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1j2r h VAL 146 CO 0.07 0.14 -0.45 -0.08 0.02 0.00 0.00 177.57 177.27 1j2r h GLU 147 N 0.60 0.84 -0.84 1.57 4.81 -1.24 -0.36 114.58 119.97 1j2r h GLU 147 Ca 0.16 -0.47 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1j2r h GLU 147 Cb -0.02 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 1j2r h GLU 147 CO -0.03 1.11 0.39 0.77 -0.73 0.00 0.00 179.01 180.52 1j2r h SER 148 N 0.67 1.11 -0.44 1.04 0.02 -1.20 0.20 113.55 114.96 1j2r h SER 148 Ca 0.04 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1j2r h SER 148 Cb 1.03 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1j2r h SER 148 CO 0.10 0.95 0.10 0.74 -1.14 0.00 0.00 176.83 177.59 1j2r h THR 149 N 1.20 1.23 -0.26 -2.27 2.02 -1.17 -2.23 112.91 111.44 1j2r h THR 149 Ca 0.29 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 1j2r h THR 149 Cb 0.14 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 1j2r h THR 149 CO -0.03 0.29 0.12 0.00 0.37 0.00 0.00 175.52 176.27 1j2r h ALA 150 N 0.96 0.34 -0.50 6.16 0.00 -0.61 -0.36 119.26 125.25 1j2r h ALA 150 Ca 0.14 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1j2r h ALA 150 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1j2r h ALA 150 CO 0.00 -0.09 0.31 0.00 0.00 0.00 0.00 179.25 179.47 1j2r h ARG 151 N 0.29 0.60 -0.08 0.00 3.08 -0.92 -1.22 114.38 116.12 1j2r h ARG 151 Ca 0.09 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.12 1j2r h ARG 151 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1j2r h ARG 151 CO -0.01 0.39 0.00 -0.91 -1.07 0.00 0.00 179.97 178.37 1j2r h ASN 152 N 0.61 -0.03 -0.79 7.04 -0.26 -1.23 -2.39 115.58 118.53 1j2r h ASN 152 Ca 0.20 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 55.97 1j2r h ASN 152 Cb -0.00 0.03 -0.04 0.00 -1.06 0.00 0.00 38.32 37.24 1j2r h ASN 152 CO -0.08 -0.00 0.52 0.00 -1.06 0.00 0.00 177.43 176.80 1j2r h ALA 153 N 1.07 1.02 -0.14 -0.83 0.00 -0.72 -0.77 119.26 118.88 1j2r h ALA 153 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1j2r h ALA 153 Cb 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1j2r h ALA 153 CO -0.07 0.37 0.05 2.35 0.00 0.00 0.00 179.25 181.95 1j2r h TRP 154 N 1.03 0.23 -0.38 0.00 7.01 -1.14 -1.78 115.95 120.92 1j2r h TRP 154 Ca 0.30 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 1j2r h TRP 154 Cb -0.06 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 1j2r h TRP 154 CO -0.02 0.34 0.17 0.93 -2.79 0.00 0.00 178.44 177.07 1j2r h GLU 155 N 0.05 0.53 0.00 2.65 5.08 -0.99 -1.37 114.58 120.53 1j2r h GLU 155 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j2r h GLU 155 Cb 0.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1j2r h GLU 155 CO -0.00 0.42 0.00 1.28 -1.00 0.00 0.00 179.01 179.71 1j2r n LEU 156 N -4.41 0.23 0.00 1.33 4.77 -0.34 -4.90 117.00 113.69 1j2r n LEU 156 Ca 0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1j2r n LEU 156 Cb 0.12 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1j2r n LEU 156 CO 0.36 -0.27 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1j2r n GLY 157 N 0.38 0.69 3.78 -0.72 0.00 -0.52 -5.08 105.19 103.72 1j2r n GLY 157 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 3.26 0.28 1.61 0.08 -0.71 -5.01 117.98 115.49 1j2r s PHE 158 Ca 0.00 1.63 -0.29 0.00 0.12 0.00 0.00 56.93 58.39 1j2r s PHE 158 Cb 0.00 -3.21 -0.10 0.00 -0.57 0.00 0.00 43.02 39.14 1j2r s PHE 158 CO 0.00 -0.79 1.11 -0.80 -0.10 0.00 0.00 175.22 174.65 1j2r s ASN 159 N -1.37 7.24 -0.05 1.36 0.01 -0.00 -4.40 114.94 117.72 1j2r s ASN 159 Ca 0.56 2.29 0.06 0.00 -0.71 0.00 0.00 52.86 55.06 1j2r s ASN 159 Cb -0.25 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 38.77 1j2r s ASN 159 CO 0.32 -0.17 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.74 1j2r s LEU 160 N -1.43 2.04 -0.11 0.60 1.43 -1.26 -0.76 118.68 119.18 1j2r s LEU 160 Ca 0.45 -0.48 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1j2r s LEU 160 Cb -0.32 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.63 1j2r s LEU 160 CO 0.42 0.23 -0.13 -0.69 0.23 0.00 0.00 176.35 176.40 1j2r s VAL 161 N -0.12 1.35 -0.22 -1.59 1.01 0.15 -1.42 120.40 119.56 1j2r s VAL 161 Ca -0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 1j2r s VAL 161 Cb -0.13 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.93 1j2r s VAL 161 CO 0.03 0.42 0.20 -0.63 0.00 0.00 0.00 175.10 175.12 1j2r s ILE 162 N 1.20 5.34 -0.88 2.22 -1.09 -0.23 -0.88 121.20 126.88 1j2r s ILE 162 Ca -0.03 0.29 -0.20 0.00 -2.23 0.00 0.00 60.65 58.47 1j2r s ILE 162 Cb -0.14 -3.54 0.10 0.00 -1.58 0.00 0.00 42.46 37.30 1j2r s ILE 162 CO -0.04 0.35 1.14 0.00 -1.23 0.00 0.00 174.94 175.16 1j2r s ALA 163 N 0.95 3.20 0.24 9.38 0.00 -0.65 -1.46 121.76 133.42 1j2r s ALA 163 Ca 0.10 -2.45 -0.06 0.00 0.00 0.00 0.00 51.96 49.55 1j2r s ALA 163 Cb -0.13 -4.08 0.34 0.00 0.00 0.00 0.00 23.12 19.25 1j2r s ALA 163 CO 0.04 -3.03 1.83 1.49 0.00 0.00 0.00 175.76 176.09 1j2r h GLU 164 N 9.17 0.85 -0.25 0.00 4.22 -1.45 -1.47 114.58 125.64 1j2r h GLU 164 Ca 0.05 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1j2r h GLU 164 Cb 1.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1j2r h GLU 164 CO 1.18 0.56 0.00 -0.40 -2.18 0.00 0.00 179.01 178.17 1j2r n ASP 165 N -4.68 1.71 -0.94 1.04 5.75 -1.26 -2.80 116.55 115.37 1j2r n ASP 165 Ca 0.12 -1.85 0.01 0.00 -0.01 0.00 0.00 54.79 53.06 1j2r n ASP 165 Cb 0.21 -0.17 0.20 0.00 -1.03 0.00 0.00 41.12 40.34 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 0.39 3.84 -2.53 2.12 0.00 -0.56 -4.58 120.51 119.20 1j2r n ALA 166 Ca 0.14 -3.01 -0.22 0.00 0.00 0.00 0.00 53.44 50.35 1j2r n ALA 166 Cb 0.30 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.00 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 -2.21 -0.18 0.43 0.00 0.15 -1.05 -4.46 113.70 106.38 1j2r s SER 168 Ca 0.09 -0.22 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1j2r s SER 168 Cb -0.08 0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 64.62 1j2r s SER 168 CO 0.05 -0.71 0.12 0.00 1.20 0.00 0.00 173.24 173.89 1j2r s ALA 169 N -3.03 3.10 0.46 5.45 0.00 -0.76 -1.16 121.76 125.83 1j2r s ALA 169 Ca -0.02 -1.10 0.16 0.00 0.00 0.00 0.00 51.96 51.00 1j2r s ALA 169 Cb 0.01 0.67 1.12 0.00 0.00 0.00 0.00 23.12 24.92 1j2r s ALA 169 CO -0.06 -0.30 2.02 0.00 0.00 0.00 0.00 175.76 177.41 1j2r h ALA 170 N 1.71 2.08 -2.58 0.00 0.00 -1.83 0.18 119.26 118.83 1j2r h ALA 170 Ca -0.36 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.42 1j2r h ALA 170 Cb 1.28 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 18.84 1j2r h ALA 170 CO 0.58 -0.19 -0.46 -1.54 0.00 0.00 0.00 179.25 177.64 1j2r s SER 171 N -6.41 0.11 0.35 0.00 1.04 -1.26 -3.83 113.70 103.70 1j2r s SER 171 Ca -0.07 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 55.95 1j2r s SER 171 Cb 0.19 0.26 0.71 0.00 0.10 0.00 0.00 66.02 67.27 1j2r s SER 171 CO 0.73 -0.54 1.93 0.00 0.98 0.00 0.00 173.24 176.35 1j2r h ALA 172 N 3.52 1.68 -0.63 5.32 0.00 -1.82 -1.92 119.26 125.41 1j2r h ALA 172 Ca -0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1j2r h ALA 172 Cb 1.19 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1j2r h ALA 172 CO 0.50 0.18 0.39 1.49 0.00 0.00 0.00 179.25 181.81 1j2r h GLU 173 N 0.81 0.86 -0.46 0.00 4.81 -1.96 0.17 114.58 118.80 1j2r h GLU 173 Ca 0.35 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.38 1j2r h GLU 173 Cb 0.31 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1j2r h GLU 173 CO -0.13 0.60 -0.23 1.96 -0.73 0.00 0.00 179.01 180.49 1j2r h GLN 174 N 0.86 0.96 0.20 1.92 4.20 -1.80 -1.19 115.11 120.26 1j2r h GLN 174 Ca 0.23 -0.42 -0.01 0.00 0.06 0.00 0.00 58.65 58.51 1j2r h GLN 174 Cb -0.04 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.72 1j2r h GLN 174 CO -0.04 1.09 -0.09 1.25 -0.67 0.00 0.00 178.83 180.36 1j2r h HIS 175 N 0.80 -0.24 -0.59 2.96 2.76 -1.11 -3.13 115.15 116.60 1j2r h HIS 175 Ca 0.10 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 1j2r h HIS 175 Cb 0.80 0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.82 1j2r h HIS 175 CO 0.06 -0.08 0.20 -0.91 -1.30 0.00 0.00 177.93 175.90 1j2r h ASN 176 N -0.36 0.80 -0.63 3.26 2.35 -0.59 -1.11 115.58 119.29 1j2r h ASN 176 Ca -0.03 -0.12 0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1j2r h ASN 176 Cb 0.28 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1j2r h ASN 176 CO 0.04 0.74 0.41 -1.13 -1.65 0.00 0.00 177.43 175.85 1j2r h ASN 177 N 0.85 0.70 -0.22 5.81 -1.24 -1.22 0.14 115.58 120.40 1j2r h ASN 177 Ca 0.20 -0.01 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 1j2r h ASN 177 Cb 0.22 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.10 1j2r h ASN 177 CO -0.01 0.50 -0.28 0.28 -1.29 0.00 0.00 177.43 176.63 1j2r h SER 178 N 0.83 0.62 -0.88 1.15 0.02 -1.40 -0.72 113.55 113.17 1j2r h SER 178 Ca 0.24 -0.50 0.04 0.00 -0.84 0.00 0.00 61.79 60.73 1j2r h SER 178 Cb -0.06 -0.17 -0.05 0.00 0.14 0.00 0.00 62.40 62.25 1j2r h SER 178 CO -0.07 1.00 0.58 0.40 -1.14 0.00 0.00 176.83 177.60 1j2r h ILE 179 N 0.25 1.14 0.00 3.27 1.08 -0.94 0.37 117.51 122.68 1j2r h ILE 179 Ca 0.03 -0.37 -0.27 0.00 -0.39 0.00 0.00 64.86 63.85 1j2r h ILE 179 Cb 0.85 -0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.51 1j2r h ILE 179 CO 0.07 0.20 -1.52 0.78 -0.69 0.00 0.00 178.15 176.99 1j2r h ASN 180 N 1.09 0.00 0.00 1.72 -0.26 -0.69 -3.37 115.58 114.06 1j2r h ASN 180 Ca 0.35 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 1j2r h ASN 180 Cb 0.04 -0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1j2r h ASN 180 CO -0.11 1.00 -0.95 1.41 -1.06 0.00 0.00 177.43 177.73 1j2r n HIS 181 N -3.13 0.00 -0.03 1.19 8.25 -0.28 -4.75 115.22 116.47 1j2r n HIS 181 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 1j2r n HIS 181 Cb 1.02 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 32.12 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 -1.53 1.19 -0.29 1.59 2.08 -0.60 -4.77 119.36 117.03 1j2r n ILE 182 Ca 0.00 0.25 0.06 0.00 0.56 0.00 0.00 62.75 63.62 1j2r n ILE 182 Cb 0.10 -1.95 0.28 0.00 -0.75 0.00 0.00 39.64 37.32 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 -0.53 0.98 -0.10 1.39 0.05 -1.18 -2.04 116.97 115.54 1j2r h TYR 183 Ca 0.00 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.84 1j2r h TYR 183 Cb 0.53 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 37.94 1j2r h TYR 183 CO -0.23 0.48 0.09 -1.35 -1.05 0.00 0.00 178.16 176.11 1j2r h PRO 184 N 0.94 0.00 0.00 4.88 0.11 -1.78 -0.01 132.00 136.14 1j2r h PRO 184 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 1j2r h PRO 184 Cb 0.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.43 1j2r h PRO 184 CO -0.16 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 177.52 1j2r h ARG 185 N 0.00 0.00 0.00 1.05 3.08 -1.67 -3.36 114.38 113.48 1j2r h ARG 185 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1j2r h ARG 185 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1j2r h ARG 185 CO -0.00 0.00 0.00 0.44 -1.07 0.00 0.00 179.97 179.34 1j2r n ILE 186 N -2.60 0.00 -3.67 2.04 -5.35 -0.69 -5.09 119.36 103.99 1j2r n ILE 186 Ca 0.04 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.03 1j2r n ILE 186 Cb 0.48 1.21 -0.03 0.00 -1.74 0.00 0.00 39.64 39.55 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 -0.01 -1.20 -0.22 -1.28 0.00 -0.10 -4.45 121.76 114.50 1j2r s ALA 187 Ca 0.00 -0.03 -0.15 0.00 0.00 0.00 0.00 51.96 51.78 1j2r s ALA 187 Cb 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1j2r s ALA 187 CO 0.00 -0.85 0.37 1.03 0.00 0.00 0.00 175.76 176.31 1j2r s ARG 188 N -3.85 4.13 -0.26 0.00 0.52 -0.51 -4.43 118.95 114.55 1j2r s ARG 188 Ca 0.07 0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.30 1j2r s ARG 188 Cb -0.02 -3.56 -0.05 0.00 0.52 0.00 0.00 34.95 31.84 1j2r s ARG 188 CO -0.04 -0.08 0.20 0.08 0.02 0.00 0.00 175.30 175.49 1j2r s VAL 189 N 1.44 5.31 0.15 3.52 1.01 -1.26 -1.07 120.40 129.50 1j2r s VAL 189 Ca 0.17 0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.34 1j2r s VAL 189 Cb -0.15 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 1j2r s VAL 189 CO 0.08 0.28 0.16 -0.13 0.00 0.00 0.00 175.10 175.49 1j2r s ARG 190 N 1.49 1.04 0.60 2.72 1.81 -0.53 -4.96 118.95 121.12 1j2r s ARG 190 Ca 0.08 -1.33 -0.09 0.00 -1.72 0.00 0.00 55.73 52.67 1j2r s ARG 190 Cb -0.15 0.30 -0.02 0.00 -0.45 0.00 0.00 34.95 34.63 1j2r s ARG 190 CO 0.08 -0.34 0.96 -1.54 -0.68 0.00 0.00 175.30 173.79 1j2r s SER 191 N -3.02 6.01 0.24 0.23 1.04 -1.26 -1.16 113.70 115.79 1j2r s SER 191 Ca 0.22 1.15 -0.05 0.00 0.48 0.00 0.00 55.95 57.75 1j2r s SER 191 Cb 0.06 -2.22 0.33 0.00 0.10 0.00 0.00 66.02 64.29 1j2r s SER 191 CO 0.01 -0.91 1.86 0.58 0.98 0.00 0.00 173.24 175.77 1j2r h VAL 192 N -0.23 1.06 -0.61 5.02 2.07 -1.93 -1.04 116.25 120.59 1j2r h VAL 192 Ca -0.45 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1j2r h VAL 192 Cb 1.21 -0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1j2r h VAL 192 CO 0.62 0.18 0.38 -0.08 0.02 0.00 0.00 177.57 178.69 1j2r h GLU 193 N 1.01 0.83 -0.75 1.57 4.81 -1.99 0.80 114.58 120.85 1j2r h GLU 193 Ca 0.38 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1j2r h GLU 193 Cb 0.14 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1j2r h GLU 193 CO -0.16 0.59 0.31 0.93 -0.73 0.00 0.00 179.01 179.95 1j2r h GLU 194 N 0.83 1.12 -0.25 1.92 5.08 -1.78 -1.47 114.58 120.03 1j2r h GLU 194 Ca 0.22 -0.19 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1j2r h GLU 194 Cb -0.03 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 1j2r h GLU 194 CO -0.04 0.90 -0.07 0.82 -1.00 0.00 0.00 179.01 179.62 1j2r h ILE 195 N 1.08 1.29 -0.89 3.13 2.04 -0.78 -2.08 117.51 121.30 1j2r h ILE 195 Ca 0.25 -1.09 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1j2r h ILE 195 Cb 0.19 1.50 -0.07 0.00 -0.74 0.00 0.00 36.82 37.70 1j2r h ILE 195 CO -0.02 0.34 0.55 -0.07 0.00 0.00 0.00 178.15 178.95 1j2r h LEU 196 N 0.22 0.85 -1.28 1.44 3.38 -0.67 -1.71 115.31 117.53 1j2r h LEU 196 Ca 0.06 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1j2r h LEU 196 Cb 0.54 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1j2r h LEU 196 CO 0.03 0.53 -0.34 0.78 0.09 0.00 0.00 178.44 179.52 1j2r h ASN 197 N 0.98 0.00 1.74 -0.43 2.35 -1.10 -3.04 115.58 116.07 1j2r h ASN 197 Ca 0.40 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.14 1j2r h ASN 197 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1j2r h ASN 197 CO -0.19 0.34 -0.27 0.00 -1.65 0.00 0.00 177.43 175.67 1j2r h ALA 198 N 1.66 0.87 -0.01 -0.83 0.00 -0.61 -3.51 119.26 116.82 1j2r h ALA 198 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j2r h ALA 198 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1j2r h ALA 198 CO 0.04 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.64