#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3r s VAL 10 N 0.00 4.14 -0.16 2.52 1.01 -1.26 -4.81 120.40 121.84 1q3r s VAL 10 Ca 0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1q3r s VAL 10 Cb 0.00 -4.97 -0.23 0.00 0.00 0.00 0.00 36.38 31.18 1q3r s VAL 10 CO 0.00 -1.81 0.38 0.40 0.00 0.00 0.00 175.10 174.08 1q3r h ILE 11 N 6.48 1.01 -2.71 2.22 1.08 -2.07 -3.48 117.51 120.04 1q3r h ILE 11 Ca 0.16 -2.28 -0.52 0.00 -0.39 0.00 0.00 64.86 61.83 1q3r h ILE 11 Cb 1.02 2.51 -0.02 0.00 -3.07 0.00 0.00 36.82 37.27 1q3r h ILE 11 CO 1.33 0.52 -0.35 -0.76 -0.69 0.00 0.00 178.15 178.20 1q3r s LEU 12 N -7.72 4.23 0.51 1.44 1.43 -1.26 -5.08 118.68 112.23 1q3r s LEU 12 Ca -0.25 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 52.96 1q3r s LEU 12 Cb 0.05 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.10 1q3r s LEU 12 CO 0.67 -0.06 1.24 -2.84 0.23 0.00 0.00 176.35 175.59 1q3r s PRO 13 N -3.51 3.41 0.35 1.29 0.02 -1.26 -4.95 135.00 130.35 1q3r s PRO 13 Ca 0.37 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 63.06 1q3r s PRO 13 Cb -0.11 -2.27 -0.12 0.00 0.02 0.00 0.00 34.50 32.02 1q3r s PRO 13 CO 0.30 -0.89 1.40 -1.91 -0.33 0.00 0.00 177.00 175.57 1q3r n GLU 14 N -0.86 2.40 0.00 5.54 4.07 -1.26 -2.06 120.64 128.47 1q3r n GLU 14 Ca 0.09 0.84 0.00 0.00 -0.06 0.00 0.00 57.16 58.04 1q3r n GLU 14 Cb 0.47 -2.51 0.00 0.00 -0.06 0.00 0.00 31.44 29.34 1q3r n GLU 14 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1q3r n GLY 15 N 0.77 1.60 3.73 8.31 0.00 -1.26 -4.82 105.19 113.53 1q3r n GLY 15 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1q3r n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q3r s THR 16 N -2.35 3.65 0.06 2.61 2.01 -0.88 -4.04 115.64 116.71 1q3r s THR 16 Ca 0.00 1.35 0.02 0.00 0.31 0.00 0.00 61.69 63.36 1q3r s THR 16 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 1q3r s THR 16 CO 0.00 0.19 0.12 -1.10 -0.69 0.00 0.00 174.62 173.15 1q3r s GLN 17 N 0.02 3.09 -0.09 4.92 -0.21 -0.03 -4.97 119.66 122.39 1q3r s GLN 17 Ca 0.54 -0.58 -0.16 0.00 0.02 0.00 0.00 55.36 55.18 1q3r s GLN 17 Cb -0.32 -2.85 0.03 0.00 1.00 0.00 0.00 33.01 30.87 1q3r s GLN 17 CO 0.35 0.59 0.39 0.50 -2.12 0.00 0.00 175.29 175.00 1q3r s ARG 18 N -2.37 0.60 0.00 2.91 3.52 -1.26 -1.54 118.95 120.81 1q3r s ARG 18 Ca 0.31 0.22 -0.01 0.00 -0.13 0.00 0.00 55.73 56.12 1q3r s ARG 18 Cb -0.12 0.28 -0.01 0.00 -1.56 0.00 0.00 34.95 33.54 1q3r s ARG 18 CO 0.23 -0.13 0.01 0.71 -0.81 0.00 0.00 175.30 175.32 1q3r s TYR 19 N -0.53 0.09 0.11 5.12 1.51 -0.84 -5.00 117.35 117.81 1q3r s TYR 19 Ca -0.06 -0.17 0.03 0.00 -1.01 0.00 0.00 57.07 55.86 1q3r s TYR 19 Cb -0.04 -0.07 -0.04 0.00 -0.11 0.00 0.00 41.96 41.70 1q3r s TYR 19 CO 0.03 -0.10 -0.09 0.14 -1.11 0.00 0.00 175.55 174.42 1q3r s VAL 20 N -0.64 0.94 0.00 0.71 -7.23 -1.26 -1.09 120.40 111.83 1q3r s VAL 20 Ca -0.07 -1.88 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 1q3r s VAL 20 Cb -0.04 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.27 1q3r s VAL 20 CO -0.00 -0.72 0.00 0.61 -0.31 0.00 0.00 175.10 174.68 1q3r n GLY 21 N 0.11 3.00 0.38 2.32 0.00 -0.66 -2.05 105.19 108.29 1q3r n GLY 21 Ca -0.13 -0.09 0.18 0.00 0.00 0.00 0.00 46.02 45.99 1q3r n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q3r h ARG 22 N 0.00 0.53 -0.20 1.61 2.43 -1.97 0.29 114.38 117.07 1q3r h ARG 22 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1q3r h ARG 22 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 1q3r h ARG 22 CO 0.00 0.35 0.00 -0.44 -1.51 0.00 0.00 179.97 178.37 1q3r h ASP 23 N 0.54 0.35 -0.57 -3.80 3.45 -1.80 0.98 116.42 115.57 1q3r h ASP 23 Ca 0.58 -0.31 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 1q3r h ASP 23 Cb 1.22 -0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 39.87 1q3r h ASP 23 CO -0.34 0.57 0.33 0.00 -1.57 0.00 0.00 179.24 178.23 1q3r h ALA 24 N 0.79 0.73 -0.21 3.45 0.00 -0.90 -2.00 119.26 121.11 1q3r h ALA 24 Ca 0.06 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1q3r h ALA 24 Cb 0.39 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1q3r h ALA 24 CO 0.01 0.23 -0.10 1.96 0.00 0.00 0.00 179.25 181.34 1q3r h GLN 25 N 0.77 0.45 -0.41 0.00 4.20 -0.25 -2.31 115.11 117.56 1q3r h GLN 25 Ca 0.20 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1q3r h GLN 25 Cb 0.01 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1q3r h GLN 25 CO -0.04 0.73 0.24 -0.09 -0.67 0.00 0.00 178.83 179.01 1q3r h ARG 26 N 0.15 0.47 -0.19 1.46 2.43 0.12 -1.45 114.38 117.37 1q3r h ARG 26 Ca 0.05 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 1q3r h ARG 26 Cb 0.60 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1q3r h ARG 26 CO 0.03 0.31 -0.18 -0.07 -1.51 0.00 0.00 179.97 178.55 1q3r h LEU 27 N 0.49 0.48 -0.26 3.80 3.38 -1.40 -1.95 115.31 119.85 1q3r h LEU 27 Ca 0.17 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.69 1q3r h LEU 27 Cb 0.02 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1q3r h LEU 27 CO -0.08 0.86 0.08 0.78 0.09 0.00 0.00 178.44 180.17 1q3r h ASN 28 N 0.12 0.08 0.35 -0.43 -0.26 -1.30 -1.41 115.58 112.73 1q3r h ASN 28 Ca 0.03 0.03 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 1q3r h ASN 28 Cb 0.72 0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 1q3r h ASN 28 CO 0.05 0.08 -0.38 0.40 -1.06 0.00 0.00 177.43 176.52 1q3r h ILE 29 N 0.19 1.28 -0.12 2.81 2.04 -1.31 -2.87 117.51 119.53 1q3r h ILE 29 Ca 0.11 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.62 1q3r h ILE 29 Cb 0.09 1.69 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1q3r h ILE 29 CO -0.12 0.38 -0.08 0.25 0.00 0.00 0.00 178.15 178.58 1q3r h LEU 30 N 0.03 0.27 -0.56 1.44 6.46 -0.67 -0.55 115.31 121.73 1q3r h LEU 30 Ca 0.00 -0.44 0.04 0.00 -0.12 0.00 0.00 57.88 57.35 1q3r h LEU 30 Cb 0.68 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.50 1q3r h LEU 30 CO 0.05 0.65 0.32 0.00 -0.62 0.00 0.00 178.44 178.84 1q3r h ALA 31 N 0.62 0.72 -0.37 1.25 0.00 -1.24 0.33 119.26 120.59 1q3r h ALA 31 Ca 0.02 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1q3r h ALA 31 Cb 0.56 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1q3r h ALA 31 CO 0.02 0.01 0.12 0.00 0.00 0.00 0.00 179.25 179.41 1q3r h ALA 32 N 1.27 0.48 -0.61 0.00 0.00 -1.48 0.69 119.26 119.61 1q3r h ALA 32 Ca 0.23 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1q3r h ALA 32 Cb 0.08 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1q3r h ALA 32 CO -0.13 0.12 0.39 0.00 0.00 0.00 0.00 179.25 179.62 1q3r h ARG 33 N 0.45 0.75 -0.47 0.00 2.47 -0.69 -0.51 114.38 116.37 1q3r h ARG 33 Ca 0.12 -0.04 -0.09 0.00 -1.26 0.00 0.00 59.98 58.70 1q3r h ARG 33 Cb 0.24 -0.17 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 1q3r h ARG 33 CO -0.01 0.49 -0.06 0.82 0.56 0.00 0.00 179.97 181.78 1q3r h ILE 34 N 0.77 1.27 -0.36 2.04 2.04 -0.66 0.19 117.51 122.80 1q3r h ILE 34 Ca 0.24 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1q3r h ILE 34 Cb -0.01 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1q3r h ILE 34 CO -0.09 0.40 0.15 0.40 0.00 0.00 0.00 178.15 179.01 1q3r h ILE 35 N 0.72 1.14 -0.16 -0.67 5.03 -0.42 -0.78 117.51 122.37 1q3r h ILE 35 Ca 0.13 -0.42 -0.11 0.00 -0.12 0.00 0.00 64.86 64.33 1q3r h ILE 35 Cb 0.59 0.71 0.00 0.00 -3.03 0.00 0.00 36.82 35.09 1q3r h ILE 35 CO 0.04 0.16 -0.34 0.00 -0.68 0.00 0.00 178.15 177.33 1q3r h ALA 36 N 1.67 0.25 0.00 1.87 0.00 -0.56 -2.96 119.26 119.53 1q3r h ALA 36 Ca 0.13 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1q3r h ALA 36 Cb 0.10 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1q3r h ALA 36 CO -0.01 0.31 -0.02 0.93 0.00 0.00 0.00 179.25 180.45 1q3r h GLU 37 N 0.14 0.00 -0.19 0.00 5.08 0.02 -1.35 114.58 118.28 1q3r h GLU 37 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 1q3r h GLU 37 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1q3r h GLU 37 CO 0.08 0.02 -0.63 1.15 -1.00 0.00 0.00 179.01 178.63 1q3r h THR 38 N 0.00 1.31 0.00 1.13 2.02 -1.00 -3.28 112.91 113.08 1q3r h THR 38 Ca -0.00 -1.87 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1q3r h THR 38 Cb 0.05 1.83 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1q3r h THR 38 CO 0.00 0.59 -0.92 1.33 0.37 0.00 0.00 175.52 176.89 1q3r n VAL 39 N -3.95 0.09 -0.10 3.16 0.24 -0.96 -4.24 118.33 112.57 1q3r n VAL 39 Ca -0.05 -0.14 -0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1q3r n VAL 39 Cb 0.66 0.39 0.27 0.00 -1.47 0.00 0.00 33.84 33.69 1q3r n VAL 39 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 1q3r h ARG 40 N 0.00 0.74 0.00 7.34 0.11 -1.32 -1.53 114.38 119.72 1q3r h ARG 40 Ca 0.00 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 59.98 1q3r h ARG 40 Cb 0.63 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1q3r h ARG 40 CO 0.00 0.60 0.00 0.25 0.10 0.00 0.00 179.97 180.92 1q3r n THR 41 N -4.35 0.00 0.33 0.08 -2.24 -1.26 -0.49 114.28 106.36 1q3r n THR 41 Ca 0.04 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.91 1q3r n THR 41 Cb 0.15 -0.87 -0.13 0.00 -2.10 0.00 0.00 70.33 67.38 1q3r n THR 41 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1q3r n THR 42 N -0.99 0.00 -2.08 4.28 5.66 -0.58 -1.85 114.28 118.73 1q3r n THR 42 Ca 0.06 -0.29 -0.41 0.00 -3.05 0.00 0.00 64.05 60.36 1q3r n THR 42 Cb 0.03 0.43 -0.02 0.00 -1.55 0.00 0.00 70.33 69.22 1q3r n THR 42 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1q3r s LEU 43 N -3.75 4.41 0.00 1.09 2.96 0.36 -4.30 118.68 119.45 1q3r s LEU 43 Ca -0.02 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.58 1q3r s LEU 43 Cb 0.13 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 43.18 1q3r s LEU 43 CO 0.77 -0.60 0.00 0.61 -1.32 0.00 0.00 176.35 175.82 1q3r n GLY 44 N 1.25 -0.98 0.00 7.98 0.00 -1.26 -3.33 105.19 108.84 1q3r n GLY 44 Ca 0.02 -1.64 0.07 0.00 0.00 0.00 0.00 46.02 44.47 1q3r n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1q3r n PRO 45 N -1.07 0.49 0.00 1.61 -0.04 -1.26 -1.46 135.00 133.28 1q3r n PRO 45 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1q3r n PRO 45 Cb 0.00 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 1q3r n PRO 45 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1q3r n LYS 46 N -0.94 0.15 -1.96 0.54 3.00 -1.26 -4.28 118.16 113.41 1q3r n LYS 46 Ca 0.10 -0.75 -0.32 0.00 -0.00 0.00 0.00 58.31 57.34 1q3r n LYS 46 Cb 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 35.03 34.13 1q3r n LYS 46 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1q3r s GLY 47 N -0.27 2.06 0.52 3.14 0.00 -0.53 -4.69 107.32 107.54 1q3r s GLY 47 Ca 0.00 0.36 0.07 0.00 0.00 0.00 0.00 44.72 45.14 1q3r s GLY 47 CO 0.00 0.68 0.56 1.03 0.00 0.00 0.00 173.10 175.37 1q3r n MET 48 N -2.22 0.69 -4.23 2.90 2.81 -0.77 -4.88 117.12 111.41 1q3r n MET 48 Ca 0.09 -3.01 -0.29 0.00 -1.81 0.00 0.00 57.70 52.68 1q3r n MET 48 Cb 0.53 0.05 -0.04 0.00 -0.71 0.00 0.00 33.22 33.05 1q3r n MET 48 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1q3r s ASP 49 N -4.15 4.43 0.01 7.83 1.01 -1.26 -4.24 116.67 120.30 1q3r s ASP 49 Ca 0.43 -1.38 0.04 0.00 0.71 0.00 0.00 52.55 52.36 1q3r s ASP 49 Cb -0.03 0.35 -0.01 0.00 1.01 0.00 0.00 42.92 44.24 1q3r s ASP 49 CO 0.27 -0.95 -0.14 -0.54 0.21 0.00 0.00 175.17 174.02 1q3r s LYS 50 N -4.09 1.06 -0.24 8.23 1.02 -0.15 -4.97 119.74 120.59 1q3r s LYS 50 Ca 0.24 -0.59 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 1q3r s LYS 50 Cb -0.00 -1.04 -0.03 0.00 -0.52 0.00 0.00 37.83 36.24 1q3r s LYS 50 CO 0.15 0.28 0.06 1.41 -0.92 0.00 0.00 175.35 176.32 1q3r s MET 51 N -0.61 3.65 -0.20 1.68 -2.45 -1.26 -1.78 119.30 118.33 1q3r s MET 51 Ca 0.04 -0.48 -0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1q3r s MET 51 Cb -0.06 -3.29 0.00 0.00 1.25 0.00 0.00 34.83 32.73 1q3r s MET 51 CO 0.00 -0.16 -0.11 -0.51 1.05 0.00 0.00 175.02 175.30 1q3r s LEU 52 N 1.51 2.60 -0.23 4.11 1.43 0.12 -4.92 118.68 123.30 1q3r s LEU 52 Ca 0.06 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1q3r s LEU 52 Cb -0.15 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1q3r s LEU 52 CO 0.03 0.01 0.00 -0.69 0.23 0.00 0.00 176.35 175.93 1q3r s VAL 53 N 1.29 3.73 0.57 -1.59 1.01 -1.26 -0.40 120.40 123.74 1q3r s VAL 53 Ca 0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1q3r s VAL 53 Cb -0.14 -2.72 0.13 0.00 0.00 0.00 0.00 36.38 33.64 1q3r s VAL 53 CO -0.06 0.38 0.77 -0.90 0.00 0.00 0.00 175.10 175.29 1q3r n ASP 54 N 4.84 0.20 0.26 3.32 5.68 -0.99 -4.89 116.55 124.96 1q3r n ASP 54 Ca -0.17 -1.36 0.17 0.00 -0.50 0.00 0.00 54.79 52.93 1q3r n ASP 54 Cb 0.51 -0.58 0.84 0.00 -1.14 0.00 0.00 41.12 40.76 1q3r n ASP 54 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1q3r h SER 55 N -0.93 0.00 0.67 -1.12 4.64 -1.98 -2.09 113.55 112.75 1q3r h SER 55 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1q3r h SER 55 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1q3r h SER 55 CO 0.19 0.00 -1.25 0.18 -0.87 0.00 0.00 176.83 175.08 1q3r n LEU 56 N -2.79 0.60 0.00 5.97 4.77 -1.26 -4.97 117.00 119.32 1q3r n LEU 56 Ca -0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1q3r n LEU 56 Cb 0.15 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1q3r n LEU 56 CO 0.20 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1q3r n GLY 57 N 1.23 1.06 3.74 -0.72 0.00 -0.78 -5.08 105.19 104.63 1q3r n GLY 57 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1q3r n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q3r s ASP 58 N -2.03 7.43 -0.16 1.61 1.01 -1.26 -4.84 116.67 118.43 1q3r s ASP 58 Ca 0.00 1.71 -0.08 0.00 0.71 0.00 0.00 52.55 54.89 1q3r s ASP 58 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1q3r s ASP 58 CO 0.00 -0.00 0.12 -0.63 0.21 0.00 0.00 175.17 174.87 1q3r s ILE 59 N -0.23 5.33 -0.25 0.77 1.01 -1.26 -2.34 121.20 124.23 1q3r s ILE 59 Ca 0.43 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 61.24 1q3r s ILE 59 Cb -0.23 -3.38 0.07 0.00 0.01 0.00 0.00 42.46 38.93 1q3r s ILE 59 CO 0.28 0.51 0.01 -0.69 0.00 0.00 0.00 174.94 175.06 1q3r s VAL 60 N -0.19 1.22 -0.25 2.92 1.01 0.46 -4.95 120.40 120.62 1q3r s VAL 60 Ca 0.10 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 60.76 1q3r s VAL 60 Cb -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1q3r s VAL 60 CO 0.01 -0.32 0.11 -0.69 0.00 0.00 0.00 175.10 174.21 1q3r s VAL 61 N 1.50 4.75 0.36 2.92 1.01 -1.26 0.15 120.40 129.84 1q3r s VAL 61 Ca 0.01 -0.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.80 1q3r s VAL 61 Cb -0.18 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.02 1q3r s VAL 61 CO -0.12 0.32 0.78 0.28 0.00 0.00 0.00 175.10 176.37 1q3r s THR 62 N 1.50 0.00 0.00 3.92 -1.32 -0.74 -4.73 115.64 114.27 1q3r s THR 62 Ca 0.06 -1.00 0.00 0.00 -1.21 0.00 0.00 61.69 59.54 1q3r s THR 62 Cb -0.15 -2.70 0.00 0.00 -1.51 0.00 0.00 72.50 68.14 1q3r s THR 62 CO 0.06 0.00 0.00 -3.20 -2.21 0.00 0.00 174.62 169.27 1q3r n ASN 63 N -1.21 4.25 -4.71 8.08 2.85 -1.26 -0.98 115.26 122.28 1q3r n ASN 63 Ca -0.07 -0.02 -0.42 0.00 -0.11 0.00 0.00 54.58 53.95 1q3r n ASN 63 Cb 0.60 0.90 -0.03 0.00 1.24 0.00 0.00 39.78 42.48 1q3r n ASN 63 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1q3r n ASP 64 N -1.32 4.03 -0.00 1.20 -0.08 -1.26 -4.92 116.55 114.20 1q3r n ASP 64 Ca 0.00 1.04 -0.12 0.00 -1.51 0.00 0.00 54.79 54.20 1q3r n ASP 64 Cb 0.00 -1.57 -0.07 0.00 2.34 0.00 0.00 41.12 41.82 1q3r n ASP 64 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1q3r h GLY 65 N 7.25 0.08 0.68 0.27 0.00 -1.95 -2.66 103.07 106.74 1q3r h GLY 65 Ca -0.44 -0.05 0.05 0.00 0.00 0.00 0.00 47.33 46.89 1q3r h GLY 65 CO 0.96 0.04 0.21 0.00 0.00 0.00 0.00 176.54 177.75 1q3r h ALA 66 N 0.83 0.59 0.00 3.60 0.00 -1.88 -1.55 119.26 120.86 1q3r h ALA 66 Ca 0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1q3r h ALA 66 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1q3r h ALA 66 CO -0.00 -0.16 -0.08 1.15 0.00 0.00 0.00 179.25 180.16 1q3r h THR 67 N 0.42 0.80 0.03 0.00 2.02 -1.95 0.31 112.91 114.54 1q3r h THR 67 Ca 0.21 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1q3r h THR 67 Cb 0.16 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1q3r h THR 67 CO -0.18 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.81 1q3r h ILE 68 N -0.14 0.00 -0.42 3.11 2.04 -1.10 0.31 117.51 121.31 1q3r h ILE 68 Ca 0.03 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.01 1q3r h ILE 68 Cb 0.18 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.24 1q3r h ILE 68 CO -0.08 0.00 0.32 -0.07 0.00 0.00 0.00 178.15 178.32 1q3r h LEU 69 N -0.40 0.00 0.14 1.44 4.07 -1.21 -0.40 115.31 118.94 1q3r h LEU 69 Ca 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.74 1q3r h LEU 69 Cb 0.42 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.19 1q3r h LEU 69 CO -0.19 0.00 -0.95 -0.78 -1.08 0.00 0.00 178.44 175.44 1q3r h ASP 70 N 0.00 0.59 0.50 -0.43 3.58 -0.19 -3.35 116.42 117.13 1q3r h ASP 70 Ca 0.20 -0.91 -0.16 0.00 0.42 0.00 0.00 57.03 56.59 1q3r h ASP 70 Cb 0.83 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.68 1q3r h ASP 70 CO -0.00 1.45 -0.68 0.11 -2.88 0.00 0.00 179.24 177.23 1q3r h LYS 71 N -0.17 0.16 -6.91 0.28 1.79 0.35 -3.45 116.57 108.63 1q3r h LYS 71 Ca -0.16 -0.13 -0.52 0.00 -2.18 0.00 0.00 60.65 57.66 1q3r h LYS 71 Cb 1.72 0.03 0.07 0.00 -1.58 0.00 0.00 32.23 32.46 1q3r h LYS 71 CO 0.18 0.78 0.60 0.42 -1.08 0.00 0.00 179.45 180.36 1q3r s ILE 72 N -3.56 2.77 -1.21 1.86 1.01 -0.23 -4.95 121.20 116.89 1q3r s ILE 72 Ca -0.03 0.73 -0.13 0.00 0.00 0.00 0.00 60.65 61.22 1q3r s ILE 72 Cb 0.12 -3.44 0.18 0.00 0.01 0.00 0.00 42.46 39.32 1q3r s ILE 72 CO 0.80 0.14 1.42 -0.62 0.00 0.00 0.00 174.94 176.67 1q3r s ASP 73 N -0.68 7.10 0.40 3.58 3.68 -1.26 -4.96 116.67 124.52 1q3r s ASP 73 Ca 0.53 -3.05 -0.26 0.00 2.13 0.00 0.00 52.55 51.90 1q3r s ASP 73 Cb -0.38 -2.39 -0.09 0.00 -1.45 0.00 0.00 42.92 38.62 1q3r s ASP 73 CO 0.49 -0.71 1.23 -0.76 0.13 0.00 0.00 175.17 175.55 1q3r s LEU 74 N 1.39 4.22 -0.09 -1.34 1.43 -1.26 -5.00 118.68 118.03 1q3r s LEU 74 Ca 0.42 2.49 -0.10 0.00 -1.03 0.00 0.00 54.13 55.91 1q3r s LEU 74 Cb -0.03 -3.95 -0.03 0.00 0.03 0.00 0.00 46.19 42.21 1q3r s LEU 74 CO -0.00 -0.74 -0.19 0.00 0.23 0.00 0.00 176.35 175.65 1q3r n GLN 75 N 0.15 0.29 -1.65 1.70 1.13 -1.26 -4.94 117.38 112.80 1q3r n GLN 75 Ca 0.04 0.12 -0.46 0.00 -1.94 0.00 0.00 57.00 54.75 1q3r n GLN 75 Cb 0.45 -0.98 -0.04 0.00 0.11 0.00 0.00 30.24 29.79 1q3r n GLN 75 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1q3r n HIS 76 N -3.71 1.98 -0.28 1.08 -0.00 -1.26 -4.86 115.22 108.17 1q3r n HIS 76 Ca -0.08 0.46 -0.03 0.00 0.46 0.00 0.00 57.72 58.53 1q3r n HIS 76 Cb 0.28 -2.44 0.09 0.00 -0.12 0.00 0.00 29.99 27.80 1q3r n HIS 76 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1q3r h PRO 77 N 4.50 0.96 -0.46 1.57 0.13 -1.99 -1.55 132.00 135.16 1q3r h PRO 77 Ca -0.45 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1q3r h PRO 77 Cb 1.29 -0.22 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1q3r h PRO 77 CO 0.78 0.63 0.30 0.00 -0.23 0.00 0.00 178.00 179.49 1q3r h ALA 78 N 1.31 1.76 -0.44 -0.56 0.00 -1.90 0.47 119.26 119.90 1q3r h ALA 78 Ca 0.30 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.08 1q3r h ALA 78 Cb -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1q3r h ALA 78 CO -0.10 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 1q3r h ALA 79 N 1.73 0.62 0.00 0.00 0.00 -1.59 -2.26 119.26 117.75 1q3r h ALA 79 Ca 0.18 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1q3r h ALA 79 Cb 0.05 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1q3r h ALA 79 CO -0.04 0.54 -0.08 0.87 0.00 0.00 0.00 179.25 180.54 1q3r h LYS 80 N 0.72 0.00 -0.45 0.00 1.57 -0.29 -1.87 116.57 116.26 1q3r h LYS 80 Ca 0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 1q3r h LYS 80 Cb 0.70 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 1q3r h LYS 80 CO 0.05 0.08 0.16 0.52 -0.57 0.00 0.00 179.45 179.69 1q3r h MET 81 N 0.00 0.68 -0.09 3.15 2.86 -0.42 -2.75 114.93 118.36 1q3r h MET 81 Ca -0.00 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1q3r h MET 81 Cb 0.17 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1q3r h MET 81 CO 0.01 0.63 -0.13 0.52 1.06 0.00 0.00 176.91 179.00 1q3r h MET 82 N 0.58 0.13 -0.65 1.72 2.86 -1.18 -1.82 114.93 116.57 1q3r h MET 82 Ca 0.15 -0.03 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 1q3r h MET 82 Cb 0.22 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.82 1q3r h MET 82 CO -0.01 0.27 0.43 0.28 1.06 0.00 0.00 176.91 178.94 1q3r h VAL 83 N 0.13 1.03 -0.65 -2.22 2.07 -1.31 -1.70 116.25 113.60 1q3r h VAL 83 Ca 0.03 -0.23 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1q3r h VAL 83 Cb 0.32 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1q3r h VAL 83 CO 0.02 0.12 0.29 -0.33 0.02 0.00 0.00 177.57 177.69 1q3r h GLU 84 N 0.68 0.93 0.66 1.57 4.39 -1.35 -1.75 114.58 119.70 1q3r h GLU 84 Ca 0.27 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 1q3r h GLU 84 Cb 0.22 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1q3r h GLU 84 CO -0.08 0.74 -0.32 0.28 -1.16 0.00 0.00 179.01 178.47 1q3r h VAL 85 N 0.92 0.27 -1.00 3.13 2.07 -1.37 -1.61 116.25 118.66 1q3r h VAL 85 Ca 0.22 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.65 1q3r h VAL 85 Cb 0.13 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.15 1q3r h VAL 85 CO -0.03 0.02 0.63 0.00 0.02 0.00 0.00 177.57 178.21 1q3r h ALA 86 N -0.80 1.48 -0.21 1.67 0.00 -1.46 -1.45 119.26 118.50 1q3r h ALA 86 Ca -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1q3r h ALA 86 Cb 0.71 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1q3r h ALA 86 CO 0.15 0.25 0.05 -0.22 0.00 0.00 0.00 179.25 179.48 1q3r h LYS 87 N 1.01 0.33 -0.69 0.00 3.64 -1.23 -2.14 116.57 117.49 1q3r h LYS 87 Ca 0.48 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 1q3r h LYS 87 Cb 0.44 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1q3r h LYS 87 CO -0.25 0.45 0.16 1.15 -2.27 0.00 0.00 179.45 178.69 1q3r h THR 88 N 0.15 1.26 -0.21 1.00 2.02 -0.83 -2.20 112.91 114.09 1q3r h THR 88 Ca 0.07 -0.96 0.05 0.00 0.77 0.00 0.00 66.41 66.33 1q3r h THR 88 Cb 0.27 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1q3r h THR 88 CO 0.00 0.37 -0.09 1.56 0.37 0.00 0.00 175.52 177.73 1q3r h GLN 89 N 1.04 -0.06 -0.68 6.66 1.08 -1.18 -1.59 115.11 120.40 1q3r h GLN 89 Ca 0.22 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.49 1q3r h GLN 89 Cb 0.37 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.75 1q3r h GLN 89 CO 0.00 -0.04 0.36 0.22 -0.95 0.00 0.00 178.83 178.43 1q3r h ASP 90 N -0.06 0.52 -0.08 1.46 1.82 -1.02 0.30 116.42 119.37 1q3r h ASP 90 Ca 0.11 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.77 1q3r h ASP 90 Cb 0.23 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.17 1q3r h ASP 90 CO -0.25 0.33 -0.05 0.11 -1.61 0.00 0.00 179.24 177.77 1q3r h LYS 91 N 0.66 0.17 0.03 0.28 1.79 -1.07 -2.53 116.57 115.90 1q3r h LYS 91 Ca 0.31 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.70 1q3r h LYS 91 Cb 0.23 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.88 1q3r h LYS 91 CO -0.20 0.56 -0.01 1.49 -1.08 0.00 0.00 179.45 180.21 1q3r h GLU 92 N -0.22 -0.04 0.00 3.15 4.57 -1.11 -3.41 114.58 117.52 1q3r h GLU 92 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1q3r h GLU 92 Cb 0.52 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1q3r h GLU 92 CO 0.01 0.53 -0.33 0.00 -1.18 0.00 0.00 179.01 178.04 1q3r n ALA 93 N -2.42 2.11 0.00 2.92 0.00 0.99 -5.01 120.51 119.11 1q3r n ALA 93 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1q3r n ALA 93 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1q3r n ALA 93 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 94 N 1.42 1.74 3.73 0.00 0.00 -0.86 -4.38 105.19 106.83 1q3r n GLY 94 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 1q3r n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1q3r s ASP 95 N -4.00 3.77 0.00 1.61 -0.00 -1.26 -4.18 116.67 112.61 1q3r s ASP 95 Ca 0.00 1.67 0.00 0.00 -0.00 0.00 0.00 52.55 54.22 1q3r s ASP 95 Cb 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 42.92 40.58 1q3r s ASP 95 CO 0.00 -2.48 0.00 0.61 -0.00 0.00 0.00 175.17 173.30 1q3r n GLY 96 N -1.01 0.91 0.14 0.21 0.00 -1.26 -4.83 105.19 99.35 1q3r n GLY 96 Ca 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1q3r n GLY 96 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1q3r h THR 97 N 0.00 0.90 0.06 2.61 1.35 -1.87 -2.65 112.91 113.31 1q3r h THR 97 Ca 0.00 -0.48 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1q3r h THR 97 Cb 0.00 1.19 -0.00 0.00 -1.73 0.00 0.00 68.15 67.61 1q3r h THR 97 CO 0.00 0.11 -0.03 0.74 -0.25 0.00 0.00 175.52 176.09 1q3r h THR 98 N -0.49 0.94 -0.59 6.82 2.02 -1.93 -2.84 112.91 116.84 1q3r h THR 98 Ca -0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1q3r h THR 98 Cb 0.37 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1q3r h THR 98 CO 0.04 0.00 0.39 0.71 0.37 0.00 0.00 175.52 177.03 1q3r h THR 99 N -0.08 0.99 -0.46 3.16 1.35 -1.95 0.04 112.91 115.95 1q3r h THR 99 Ca -0.01 -0.19 -0.04 0.00 -0.55 0.00 0.00 66.41 65.62 1q3r h THR 99 Cb 0.06 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 66.85 1q3r h THR 99 CO 0.01 0.10 0.11 0.00 -0.25 0.00 0.00 175.52 175.49 1q3r h ALA 100 N 1.68 0.61 -0.42 6.62 0.00 -1.24 0.26 119.26 126.77 1q3r h ALA 100 Ca 0.26 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 1q3r h ALA 100 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1q3r h ALA 100 CO -0.07 0.30 -0.26 0.28 0.00 0.00 0.00 179.25 179.50 1q3r h VAL 101 N 0.62 1.27 -0.26 0.00 2.07 -1.12 -1.53 116.25 117.31 1q3r h VAL 101 Ca 0.15 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.24 1q3r h VAL 101 Cb 0.32 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1q3r h VAL 101 CO 0.00 0.47 0.09 0.58 0.02 0.00 0.00 177.57 178.73 1q3r h VAL 102 N 0.75 1.19 -0.68 2.57 2.07 -0.76 -0.07 116.25 121.31 1q3r h VAL 102 Ca 0.09 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.99 1q3r h VAL 102 Cb 0.81 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 1q3r h VAL 102 CO 0.07 0.20 0.34 0.40 0.02 0.00 0.00 177.57 178.60 1q3r h ILE 103 N 0.26 1.22 -0.94 4.57 2.04 -0.88 0.54 117.51 124.32 1q3r h ILE 103 Ca 0.08 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1q3r h ILE 103 Cb 0.22 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 1q3r h ILE 103 CO -0.00 0.25 0.60 0.00 0.00 0.00 0.00 178.15 179.00 1q3r h ALA 104 N 1.16 1.20 -0.12 1.87 0.00 -0.99 0.31 119.26 122.69 1q3r h ALA 104 Ca 0.23 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1q3r h ALA 104 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1q3r h ALA 104 CO -0.03 0.63 0.03 0.78 0.00 0.00 0.00 179.25 180.65 1q3r h GLY 105 N 1.29 0.21 0.99 0.00 0.00 -0.29 -2.70 103.07 102.58 1q3r h GLY 105 Ca 0.34 -0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 1q3r h GLY 105 CO -0.07 0.12 0.31 -2.09 0.00 0.00 0.00 176.54 174.82 1q3r h GLU 106 N -0.00 0.70 -0.25 4.80 4.57 -0.34 -1.73 114.58 122.32 1q3r h GLU 106 Ca 0.04 -0.06 0.06 0.00 -1.18 0.00 0.00 59.36 58.21 1q3r h GLU 106 Cb 0.25 -0.15 -0.06 0.00 -0.16 0.00 0.00 28.75 28.64 1q3r h GLU 106 CO 0.00 0.50 -0.11 -0.07 -1.18 0.00 0.00 179.01 178.15 1q3r h LEU 107 N 0.69 -0.37 -1.00 1.64 3.38 -0.35 -0.57 115.31 118.74 1q3r h LEU 107 Ca 0.19 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1q3r h LEU 107 Cb -0.02 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1q3r h LEU 107 CO -0.04 -0.14 0.61 -0.07 0.09 0.00 0.00 178.44 178.90 1q3r h LEU 108 N -0.07 1.13 -0.60 1.67 3.38 -1.25 -0.20 115.31 119.38 1q3r h LEU 108 Ca 0.13 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 1q3r h LEU 108 Cb 0.27 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1q3r h LEU 108 CO -0.30 0.84 0.39 -0.09 0.09 0.00 0.00 178.44 179.37 1q3r h ARG 109 N 1.32 0.76 -0.05 1.13 2.43 -0.31 -0.74 114.38 118.91 1q3r h ARG 109 Ca 0.35 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.33 1q3r h ARG 109 Cb -0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1q3r h ARG 109 CO -0.07 0.50 -0.62 0.87 -1.51 0.00 0.00 179.97 179.14 1q3r h LYS 110 N 0.78 0.20 -0.68 0.20 1.79 -0.79 -3.06 116.57 114.99 1q3r h LYS 110 Ca 0.23 -0.14 -0.07 0.00 -2.18 0.00 0.00 60.65 58.49 1q3r h LYS 110 Cb -0.05 0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 1q3r h LYS 110 CO -0.07 0.75 0.16 0.00 -1.08 0.00 0.00 179.45 179.22 1q3r h ALA 111 N 1.21 0.90 0.00 3.86 0.00 -0.38 -2.66 119.26 122.19 1q3r h ALA 111 Ca -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1q3r h ALA 111 Cb 1.12 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1q3r h ALA 111 CO 0.09 0.63 -0.08 1.49 0.00 0.00 0.00 179.25 181.39 1q3r h GLU 112 N 1.03 0.00 -0.48 0.00 4.81 -1.05 0.52 114.58 119.41 1q3r h GLU 112 Ca 0.21 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.42 1q3r h GLU 112 Cb 0.38 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1q3r h GLU 112 CO 0.00 0.08 0.22 0.93 -0.73 0.00 0.00 179.01 179.51 1q3r h GLU 113 N 0.00 0.68 0.00 1.92 5.08 -1.50 0.86 114.58 121.62 1q3r h GLU 113 Ca -0.00 -0.08 -0.25 0.00 -1.00 0.00 0.00 59.36 58.03 1q3r h GLU 113 Cb 0.14 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.28 1q3r h GLU 113 CO 0.01 0.54 -1.00 -0.07 -1.00 0.00 0.00 179.01 177.49 1q3r h LEU 114 N 0.68 0.74 -0.79 1.33 3.38 -0.98 -2.15 115.31 117.52 1q3r h LEU 114 Ca 0.17 -0.59 0.03 0.00 0.09 0.00 0.00 57.88 57.57 1q3r h LEU 114 Cb 0.09 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1q3r h LEU 114 CO -0.02 1.39 0.51 -0.07 0.09 0.00 0.00 178.44 180.34 1q3r h LEU 115 N 0.32 0.84 -1.31 1.67 -0.00 -0.52 -0.47 115.31 115.84 1q3r h LEU 115 Ca -0.11 -0.01 -0.07 0.00 -0.00 0.00 0.00 57.88 57.70 1q3r h LEU 115 Cb 1.64 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 42.10 1q3r h LEU 115 CO 0.19 0.58 -0.31 -0.78 -0.00 0.00 0.00 178.44 178.12 1q3r h ASP 116 N 0.99 0.05 0.01 -0.43 1.82 -0.78 0.11 116.42 118.20 1q3r h ASP 116 Ca 0.31 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.94 1q3r h ASP 116 Cb -0.01 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 39.99 1q3r h ASP 116 CO -0.11 0.36 0.00 1.67 -1.61 0.00 0.00 179.24 179.56 1q3r n GLN 117 N -4.15 0.87 -2.28 0.28 7.27 -0.32 -4.86 117.38 114.18 1q3r n GLN 117 Ca -0.02 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.96 1q3r n GLN 117 Cb 0.37 -1.50 0.00 0.00 2.41 0.00 0.00 30.24 31.52 1q3r n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1q3r n ASN 118 N -1.00 -3.29 -4.70 1.69 5.03 0.39 -5.01 115.26 108.36 1q3r n ASN 118 Ca 0.21 -0.04 -0.42 0.00 0.87 0.00 0.00 54.58 55.20 1q3r n ASN 118 Cb 0.10 -2.47 -0.03 0.00 -1.02 0.00 0.00 39.78 36.35 1q3r n ASN 118 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1q3r s ILE 119 N -2.55 4.86 0.32 2.41 -1.09 -0.39 -4.99 121.20 119.78 1q3r s ILE 119 Ca 0.03 1.93 -0.29 0.00 -2.23 0.00 0.00 60.65 60.09 1q3r s ILE 119 Cb -0.02 -4.26 -0.12 0.00 -1.58 0.00 0.00 42.46 36.48 1q3r s ILE 119 CO 0.04 0.10 1.48 1.57 -1.23 0.00 0.00 174.94 176.91 1q3r n HIS 120 N 4.41 2.71 -0.33 3.97 -0.00 -1.26 -4.47 115.22 120.25 1q3r n HIS 120 Ca 0.06 0.39 0.11 0.00 -0.00 0.00 0.00 57.72 58.28 1q3r n HIS 120 Cb 0.50 -2.53 0.29 0.00 -0.00 0.00 0.00 29.99 28.25 1q3r n HIS 120 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1q3r h PRO 121 N 3.71 0.66 0.00 1.57 0.11 -1.94 -0.90 132.00 135.22 1q3r h PRO 121 Ca -0.48 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1q3r h PRO 121 Cb 1.25 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1q3r h PRO 121 CO 0.71 0.44 -0.06 0.66 -0.21 0.00 0.00 178.00 179.53 1q3r h SER 122 N 0.68 0.00 0.07 -2.05 4.64 -1.93 0.24 113.55 115.20 1q3r h SER 122 Ca 0.54 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.70 1q3r h SER 122 Cb 0.83 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.94 1q3r h SER 122 CO -0.39 0.06 -0.67 0.40 -0.87 0.00 0.00 176.83 175.36 1q3r h ILE 123 N 0.00 1.48 -0.62 0.95 2.04 -1.53 -1.28 117.51 118.55 1q3r h ILE 123 Ca -0.00 -2.29 0.01 0.00 1.00 0.00 0.00 64.86 63.58 1q3r h ILE 123 Cb 0.13 2.91 -0.03 0.00 -0.74 0.00 0.00 36.82 39.08 1q3r h ILE 123 CO 0.01 0.65 0.41 0.40 0.00 0.00 0.00 178.15 179.62 1q3r h ILE 124 N -0.27 1.14 -0.60 -0.67 2.04 -1.07 0.36 117.51 118.43 1q3r h ILE 124 Ca -0.10 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1q3r h ILE 124 Cb 1.44 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 1q3r h ILE 124 CO 0.13 0.15 0.36 0.74 0.00 0.00 0.00 178.15 179.52 1q3r h THR 125 N 0.82 1.18 -0.54 -0.27 2.02 -0.59 -0.75 112.91 114.80 1q3r h THR 125 Ca 0.23 -0.42 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1q3r h THR 125 Cb -0.06 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 1q3r h THR 125 CO -0.06 0.19 0.20 0.50 0.37 0.00 0.00 175.52 176.71 1q3r h LYS 126 N 0.82 0.81 -0.70 6.66 3.64 -0.60 -1.47 116.57 125.73 1q3r h LYS 126 Ca 0.22 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1q3r h LYS 126 Cb -0.00 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1q3r h LYS 126 CO -0.04 0.73 0.39 0.78 -2.27 0.00 0.00 179.45 179.03 1q3r h GLY 127 N 0.73 1.04 1.32 5.01 0.00 -0.61 -0.99 103.07 109.57 1q3r h GLY 127 Ca 0.18 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1q3r h GLY 127 CO -0.01 0.45 -0.05 -0.97 0.00 0.00 0.00 176.54 175.96 1q3r h TYR 128 N 0.96 0.88 -0.40 5.60 0.99 -0.87 -0.65 116.97 123.47 1q3r h TYR 128 Ca 0.25 -0.14 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1q3r h TYR 128 Cb 0.03 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 37.52 1q3r h TYR 128 CO -0.00 0.84 -0.13 0.00 -0.00 0.00 0.00 178.16 178.87 1q3r h ALA 129 N 1.19 0.56 -0.21 3.88 0.00 -0.92 0.18 119.26 123.94 1q3r h ALA 129 Ca 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1q3r h ALA 129 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1q3r h ALA 129 CO 0.03 0.45 0.13 -0.07 0.00 0.00 0.00 179.25 179.79 1q3r h LEU 130 N 0.60 0.24 -0.83 0.00 3.38 -1.04 -1.44 115.31 116.22 1q3r h LEU 130 Ca 0.10 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1q3r h LEU 130 Cb 0.66 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1q3r h LEU 130 CO 0.05 0.21 0.43 0.00 0.09 0.00 0.00 178.44 179.21 1q3r h ALA 131 N 1.05 1.07 -0.19 1.53 0.00 -0.93 -1.51 119.26 120.28 1q3r h ALA 131 Ca 0.07 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1q3r h ALA 131 Cb 0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1q3r h ALA 131 CO -0.01 0.61 -0.46 0.00 0.00 0.00 0.00 179.25 179.38 1q3r h ALA 132 N 1.23 0.85 -0.21 0.00 0.00 -0.41 -1.47 119.26 119.24 1q3r h ALA 132 Ca 0.29 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.57 1q3r h ALA 132 Cb 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1q3r h ALA 132 CO -0.04 0.66 -0.50 0.93 0.00 0.00 0.00 179.25 180.29 1q3r h GLU 133 N 0.39 0.71 -0.33 0.00 5.08 -1.06 -2.95 114.58 116.43 1q3r h GLU 133 Ca 0.02 -0.49 -0.03 0.00 -1.00 0.00 0.00 59.36 57.87 1q3r h GLU 133 Cb 0.96 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1q3r h GLU 133 CO 0.08 1.11 0.09 -0.22 -1.00 0.00 0.00 179.01 179.07 1q3r h LYS 134 N 0.42 0.47 -0.42 2.33 1.63 -1.19 -1.97 116.57 117.85 1q3r h LYS 134 Ca -0.00 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.68 1q3r h LYS 134 Cb 1.12 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.64 1q3r h LYS 134 CO 0.11 0.43 0.04 0.00 -3.45 0.00 0.00 179.45 176.58 1q3r h ALA 135 N 1.64 1.29 -0.36 5.00 0.00 -1.10 -1.46 119.26 124.26 1q3r h ALA 135 Ca 0.11 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 1q3r h ALA 135 Cb 0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1q3r h ALA 135 CO -0.01 0.49 -0.35 1.96 0.00 0.00 0.00 179.25 181.34 1q3r h GLN 136 N 0.62 0.83 -0.35 0.00 1.08 -1.21 0.11 115.11 116.19 1q3r h GLN 136 Ca 0.13 -0.41 -0.05 0.00 -1.45 0.00 0.00 58.65 56.88 1q3r h GLN 136 Cb 0.33 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 1q3r h GLN 136 CO 0.01 1.04 0.04 0.93 -0.95 0.00 0.00 178.83 179.90 1q3r h GLU 137 N 0.69 0.59 -0.28 1.46 5.08 -1.30 -0.18 114.58 120.64 1q3r h GLU 137 Ca 0.07 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1q3r h GLU 137 Cb 0.91 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 1q3r h GLU 137 CO 0.08 0.68 0.16 0.82 -1.00 0.00 0.00 179.01 179.75 1q3r h ILE 138 N 0.42 1.12 -0.48 3.13 2.04 -1.10 -0.11 117.51 122.54 1q3r h ILE 138 Ca 0.10 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1q3r h ILE 138 Cb 0.39 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1q3r h ILE 138 CO 0.01 0.12 0.31 -0.07 0.00 0.00 0.00 178.15 178.53 1q3r h LEU 139 N 0.35 0.55 -1.29 1.44 3.38 -0.61 -0.59 115.31 118.53 1q3r h LEU 139 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1q3r h LEU 139 Cb 0.06 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1q3r h LEU 139 CO -0.02 0.41 0.25 0.44 0.09 0.00 0.00 178.44 179.61 1q3r h ASP 140 N 0.64 0.66 0.30 -0.43 3.32 -0.77 -1.33 116.42 118.82 1q3r h ASP 140 Ca 0.17 -0.06 -0.22 0.00 0.02 0.00 0.00 57.03 56.95 1q3r h ASP 140 Cb -0.06 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.32 1q3r h ASP 140 CO -0.04 0.57 -0.89 -0.08 -1.72 0.00 0.00 179.24 177.08 1q3r h GLU 141 N 0.74 0.42 0.00 3.56 4.81 -0.28 -3.28 114.58 120.54 1q3r h GLU 141 Ca 0.18 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1q3r h GLU 141 Cb 0.08 0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1q3r h GLU 141 CO -0.02 1.08 -0.94 0.44 -0.73 0.00 0.00 179.01 178.83 1q3r n ILE 142 N -3.77 0.20 -1.60 2.32 -5.35 -0.30 -4.93 119.36 105.92 1q3r n ILE 142 Ca -0.06 -0.24 -0.47 0.00 -0.27 0.00 0.00 62.75 61.71 1q3r n ILE 142 Cb 0.80 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.83 1q3r n ILE 142 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q3r n ALA 143 N -1.82 -0.28 -2.85 -1.28 0.00 -0.51 -4.89 120.51 108.89 1q3r n ALA 143 Ca 0.02 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 1q3r n ALA 143 Cb 0.43 -2.07 -0.04 0.00 0.00 0.00 0.00 19.45 17.77 1q3r n ALA 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1q3r s ILE 144 N -0.43 4.53 0.17 0.00 1.01 0.10 -4.88 121.20 121.71 1q3r s ILE 144 Ca 0.68 -0.39 -0.30 0.00 0.00 0.00 0.00 60.65 60.64 1q3r s ILE 144 Cb -0.77 -4.55 -0.08 0.00 0.01 0.00 0.00 42.46 37.06 1q3r s ILE 144 CO 0.54 -1.22 1.29 -0.13 0.00 0.00 0.00 174.94 175.42 1q3r s ARG 145 N 3.52 4.40 0.16 2.79 1.81 -1.26 -1.26 118.95 129.12 1q3r s ARG 145 Ca 0.20 2.00 0.00 0.00 -1.72 0.00 0.00 55.73 56.22 1q3r s ARG 145 Cb -0.18 -3.22 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 1q3r s ARG 145 CO 0.11 -0.25 0.04 0.54 -0.68 0.00 0.00 175.30 175.07 1q3r s VAL 146 N 0.30 0.38 -0.21 3.52 0.11 -0.19 -4.95 120.40 119.35 1q3r s VAL 146 Ca 0.57 -1.95 -0.21 0.00 -2.93 0.00 0.00 61.98 57.46 1q3r s VAL 146 Cb -0.35 -2.14 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 1q3r s VAL 146 CO 0.36 -0.41 0.63 1.51 -3.33 0.00 0.00 175.10 173.86 1q3r s ASP 147 N -3.13 6.67 0.00 3.54 -4.77 -1.26 -4.53 116.67 113.19 1q3r s ASP 147 Ca 0.26 0.82 0.00 0.00 -3.30 0.00 0.00 52.55 50.32 1q3r s ASP 147 Cb 0.07 -2.35 0.00 0.00 -1.09 0.00 0.00 42.92 39.55 1q3r s ASP 147 CO 0.04 -0.29 0.00 -2.65 0.70 0.00 0.00 175.17 172.97 1q3r n PRO 148 N 5.15 0.00 -0.51 2.11 -0.02 -1.26 -0.18 135.00 140.29 1q3r n PRO 148 Ca -0.01 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.55 1q3r n PRO 148 Cb 0.50 0.00 0.29 0.00 -0.02 0.00 0.00 33.50 34.26 1q3r n PRO 148 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1q3r n ASP 149 N -3.25 4.21 -4.55 2.55 5.68 -1.26 -4.09 116.55 115.84 1q3r n ASP 149 Ca 0.00 -2.77 -0.36 0.00 -0.50 0.00 0.00 54.79 51.17 1q3r n ASP 149 Cb 0.00 -0.53 -0.03 0.00 -1.14 0.00 0.00 41.12 39.42 1q3r n ASP 149 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1q3r s ASP 150 N -1.44 4.49 0.25 -1.12 3.68 0.75 -4.81 116.67 118.47 1q3r s ASP 150 Ca 0.43 0.98 -0.03 0.00 2.13 0.00 0.00 52.55 56.06 1q3r s ASP 150 Cb 0.32 -2.50 0.51 0.00 -1.45 0.00 0.00 42.92 39.79 1q3r s ASP 150 CO 0.13 -2.87 1.70 -0.08 0.13 0.00 0.00 175.17 174.18 1q3r h GLU 151 N 19.01 0.34 -0.20 4.34 4.81 -1.92 -1.26 114.58 139.71 1q3r h GLU 151 Ca -0.23 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.01 1q3r h GLU 151 Cb 1.25 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 1q3r h GLU 151 CO 1.16 0.23 -0.05 1.49 -0.73 0.00 0.00 179.01 181.11 1q3r h GLU 152 N 0.35 -0.00 0.07 1.92 4.81 -2.00 -0.34 114.58 119.40 1q3r h GLU 152 Ca 0.44 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.68 1q3r h GLU 152 Cb 0.74 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 1q3r h GLU 152 CO -0.48 -0.00 -0.09 1.15 -0.73 0.00 0.00 179.01 178.86 1q3r h THR 153 N -0.00 0.79 -1.00 0.32 2.02 -1.70 -2.27 112.91 111.08 1q3r h THR 153 Ca 0.09 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.40 1q3r h THR 153 Cb 0.15 0.79 -0.09 0.00 -1.74 0.00 0.00 68.15 67.27 1q3r h THR 153 CO -0.20 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.24 1q3r h LEU 154 N -0.19 0.91 -1.01 2.58 3.38 -0.92 -0.20 115.31 119.86 1q3r h LEU 154 Ca 0.01 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1q3r h LEU 154 Cb 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1q3r h LEU 154 CO -0.04 0.48 -0.20 -0.07 0.09 0.00 0.00 178.44 178.70 1q3r h LEU 155 N 0.98 0.47 -0.43 1.67 3.38 -0.77 -0.82 115.31 119.79 1q3r h LEU 155 Ca 0.50 -0.14 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 1q3r h LEU 155 Cb 0.50 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1q3r h LEU 155 CO -0.27 0.68 -0.53 0.11 0.09 0.00 0.00 178.44 178.53 1q3r h LYS 156 N 0.43 0.72 -0.15 1.13 1.57 -0.52 -0.57 116.57 119.17 1q3r h LYS 156 Ca 0.07 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1q3r h LYS 156 Cb 0.59 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1q3r h LYS 156 CO 0.04 1.06 0.07 0.97 -0.57 0.00 0.00 179.45 181.02 1q3r h ILE 157 N 0.55 1.14 -0.54 1.86 6.09 -0.70 0.11 117.51 126.01 1q3r h ILE 157 Ca 0.02 -0.40 -0.10 0.00 -1.37 0.00 0.00 64.86 63.01 1q3r h ILE 157 Cb 1.10 1.13 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 1q3r h ILE 157 CO 0.11 0.13 -0.05 0.00 -3.07 0.00 0.00 178.15 175.27 1q3r h ALA 158 N 0.93 0.73 -0.48 0.18 0.00 -1.14 -0.77 119.26 118.71 1q3r h ALA 158 Ca 0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 1q3r h ALA 158 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1q3r h ALA 158 CO -0.01 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.95 1q3r h ALA 159 N 0.94 0.63 -0.58 0.00 0.00 -0.97 -0.43 119.26 118.86 1q3r h ALA 159 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1q3r h ALA 159 Cb 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1q3r h ALA 159 CO 0.04 0.33 0.26 1.15 0.00 0.00 0.00 179.25 181.03 1q3r h THR 160 N 0.65 1.20 0.08 0.00 2.02 -0.63 -2.28 112.91 113.95 1q3r h THR 160 Ca 0.15 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 66.75 1q3r h THR 160 Cb 0.34 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.22 1q3r h THR 160 CO 0.00 0.24 -0.04 -1.28 0.37 0.00 0.00 175.52 174.81 1q3r h SER 161 N 0.82 -0.09 0.22 4.18 0.87 -0.60 -3.15 113.55 115.79 1q3r h SER 161 Ca 0.20 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 1q3r h SER 161 Cb 0.11 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.10 1q3r h SER 161 CO -0.02 0.17 -0.02 0.40 -0.53 0.00 0.00 176.83 176.82 1q3r h ILE 162 N -0.36 0.21 -3.97 2.23 2.04 -0.78 -3.45 117.51 113.42 1q3r h ILE 162 Ca -0.01 -0.18 -0.51 0.00 1.00 0.00 0.00 64.86 65.16 1q3r h ILE 162 Cb 0.31 1.14 0.07 0.00 -0.74 0.00 0.00 36.82 37.60 1q3r h ILE 162 CO 0.02 0.02 0.52 -0.89 0.00 0.00 0.00 178.15 177.82 1q3r s THR 163 N -4.18 2.99 0.00 -0.27 2.01 -0.89 -3.21 115.64 112.09 1q3r s THR 163 Ca -0.04 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.76 1q3r s THR 163 Cb 0.13 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.21 1q3r s THR 163 CO 0.49 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.07 1q3r n GLY 164 N 0.57 0.77 3.69 4.40 0.00 -1.26 -4.64 105.19 108.71 1q3r n GLY 164 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1q3r n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 165 N -0.38 2.12 0.21 1.61 1.02 -1.20 -4.72 119.74 118.42 1q3r s LYS 165 Ca 0.00 -1.92 -0.09 0.00 0.02 0.00 0.00 55.97 53.98 1q3r s LYS 165 Cb 0.00 -1.87 0.32 0.00 -0.52 0.00 0.00 37.83 35.76 1q3r s LYS 165 CO 0.00 -0.06 1.70 -0.97 -0.92 0.00 0.00 175.35 175.09 1q3r h ASN 166 N 1.58 -0.03 0.50 2.83 -1.24 -1.93 -1.94 115.58 115.35 1q3r h ASN 166 Ca -0.43 0.12 0.00 0.00 0.71 0.00 0.00 56.30 56.70 1q3r h ASN 166 Cb 1.25 0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.47 1q3r h ASN 166 CO 0.73 -0.01 0.00 0.00 -1.29 0.00 0.00 177.43 176.86 1q3r h ALA 167 N 1.51 1.00 -1.70 1.57 0.00 -1.91 -3.32 119.26 116.42 1q3r h ALA 167 Ca 0.33 0.00 0.50 0.00 0.00 0.00 0.00 54.91 55.74 1q3r h ALA 167 Cb 0.51 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1q3r h ALA 167 CO -0.43 0.00 1.21 -0.85 0.00 0.00 0.00 179.25 179.17 1q3r n GLU 168 N -2.83 -0.01 0.21 0.00 0.28 -0.73 0.11 120.64 117.68 1q3r n GLU 168 Ca -0.01 1.01 0.18 0.00 -0.16 0.00 0.00 57.16 58.18 1q3r n GLU 168 Cb 0.18 -2.26 0.84 0.00 1.43 0.00 0.00 31.44 31.64 1q3r n GLU 168 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1q3r h SER 169 N 0.00 0.00 0.00 -1.84 0.02 -1.82 -1.70 113.55 108.21 1q3r h SER 169 Ca 0.84 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.74 1q3r h SER 169 Cb 3.28 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 65.70 1q3r h SER 169 CO -0.08 0.00 -0.63 1.41 -1.14 0.00 0.00 176.83 176.39 1q3r n HIS 170 N -3.62 0.00 0.32 3.45 8.25 0.30 -4.89 115.22 119.03 1q3r n HIS 170 Ca 0.02 -1.11 0.20 0.00 -0.26 0.00 0.00 57.72 56.57 1q3r n HIS 170 Cb 0.36 -0.21 1.08 0.00 1.12 0.00 0.00 29.99 32.35 1q3r n HIS 170 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1q3r h LYS 171 N 0.89 0.00 -0.22 -0.41 2.10 -1.29 -2.11 116.57 115.53 1q3r h LYS 171 Ca -0.07 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.46 1q3r h LYS 171 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1q3r h LYS 171 CO 0.03 0.00 -0.33 1.49 -2.00 0.00 0.00 179.45 178.64 1q3r h GLU 172 N 0.00 0.60 0.25 0.07 4.81 -1.90 -0.82 114.58 117.60 1q3r h GLU 172 Ca 0.01 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.87 1q3r h GLU 172 Cb 0.13 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1q3r h GLU 172 CO -0.00 0.97 -0.12 1.25 -0.73 0.00 0.00 179.01 180.38 1q3r h LEU 173 N 0.29 -0.29 -1.18 1.64 5.85 -1.83 -2.56 115.31 117.23 1q3r h LEU 173 Ca 0.02 -0.23 0.04 0.00 0.84 0.00 0.00 57.88 58.55 1q3r h LEU 173 Cb 0.91 0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 1q3r h LEU 173 CO 0.08 0.13 0.57 -0.07 -0.34 0.00 0.00 178.44 178.80 1q3r h LEU 174 N -0.76 0.91 -0.17 2.25 3.38 -1.48 -1.16 115.31 118.27 1q3r h LEU 174 Ca -0.03 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1q3r h LEU 174 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1q3r h LEU 174 CO 0.06 0.62 0.08 0.00 0.09 0.00 0.00 178.44 179.29 1q3r h ALA 175 N 1.50 0.23 -0.72 1.53 0.00 -1.17 -1.23 119.26 119.40 1q3r h ALA 175 Ca 0.35 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 55.26 1q3r h ALA 175 Cb 0.05 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1q3r h ALA 175 CO -0.11 -0.21 0.37 -0.22 0.00 0.00 0.00 179.25 179.09 1q3r h LYS 176 N 0.15 0.63 -0.18 0.00 3.64 -0.91 -0.80 116.57 119.10 1q3r h LYS 176 Ca 0.06 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1q3r h LYS 176 Cb 0.13 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1q3r h LYS 176 CO -0.01 0.41 -0.02 -0.07 -2.27 0.00 0.00 179.45 177.50 1q3r h LEU 177 N 0.64 0.32 0.24 5.20 3.38 -1.05 -1.46 115.31 122.58 1q3r h LEU 177 Ca 0.35 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1q3r h LEU 177 Cb 0.34 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1q3r h LEU 177 CO -0.25 0.58 -0.39 0.00 0.09 0.00 0.00 178.44 178.47 1q3r h ALA 178 N 0.75 -0.76 -0.23 1.53 0.00 -0.76 -0.98 119.26 118.81 1q3r h ALA 178 Ca 0.05 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1q3r h ALA 178 Cb 0.43 0.62 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1q3r h ALA 178 CO 0.01 -0.98 -0.06 0.28 0.00 0.00 0.00 179.25 178.50 1q3r h VAL 179 N -0.70 0.76 -0.67 0.00 2.07 -1.17 -1.79 116.25 114.76 1q3r h VAL 179 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1q3r h VAL 179 Cb 0.68 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1q3r h VAL 179 CO -0.16 0.00 0.39 -0.33 0.02 0.00 0.00 177.57 177.50 1q3r h GLU 180 N -0.00 0.73 -0.61 1.57 5.08 -1.11 -0.52 114.58 119.72 1q3r h GLU 180 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1q3r h GLU 180 Cb 0.18 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1q3r h GLU 180 CO -0.24 0.48 0.36 0.00 -1.00 0.00 0.00 179.01 178.61 1q3r h ALA 181 N 1.32 0.78 -0.26 3.43 0.00 -0.81 -2.05 119.26 121.67 1q3r h ALA 181 Ca 0.28 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 1q3r h ALA 181 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1q3r h ALA 181 CO -0.14 0.27 -0.37 0.28 0.00 0.00 0.00 179.25 179.29 1q3r h VAL 182 N 0.83 1.31 -0.53 0.00 2.07 -0.88 -2.25 116.25 116.79 1q3r h VAL 182 Ca 0.22 -1.57 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1q3r h VAL 182 Cb -0.00 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 1q3r h VAL 182 CO -0.04 0.50 0.32 0.11 0.02 0.00 0.00 177.57 178.48 1q3r h LYS 183 N 0.44 0.61 -0.16 1.57 1.79 -1.02 0.71 116.57 120.52 1q3r h LYS 183 Ca 0.03 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1q3r h LYS 183 Cb 0.96 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.47 1q3r h LYS 183 CO 0.09 0.41 0.06 0.37 -1.08 0.00 0.00 179.45 179.29 1q3r h GLN 184 N 0.63 0.25 0.00 3.15 5.75 -1.35 -3.19 115.11 120.35 1q3r h GLN 184 Ca 0.22 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.57 1q3r h GLN 184 Cb 0.03 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.53 1q3r h GLN 184 CO -0.10 0.34 -0.48 0.28 -2.65 0.00 0.00 178.83 176.23 1q3r h VAL 185 N 0.09 1.17 -3.83 2.39 2.07 -1.20 -3.45 116.25 113.50 1q3r h VAL 185 Ca 0.05 -1.75 -0.55 0.00 0.82 0.00 0.00 66.70 65.27 1q3r h VAL 185 Cb 0.20 1.99 0.13 0.00 -1.52 0.00 0.00 31.29 32.08 1q3r h VAL 185 CO -0.00 0.47 0.61 0.00 0.02 0.00 0.00 177.57 178.67 1q3r n ALA 186 N -2.37 1.72 -2.73 1.67 0.00 0.23 -4.77 120.51 114.27 1q3r n ALA 186 Ca -0.01 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1q3r n ALA 186 Cb 0.54 -2.34 -0.15 0.00 0.00 0.00 0.00 19.45 17.50 1q3r n ALA 186 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1q3r s GLU 187 N -2.42 2.69 -0.20 0.00 0.41 -0.77 -4.98 118.70 113.43 1q3r s GLU 187 Ca 0.62 -0.81 -0.06 0.00 -0.41 0.00 0.00 54.97 54.32 1q3r s GLU 187 Cb -0.46 -2.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 1q3r s GLU 187 CO 0.57 0.41 0.02 -1.59 -0.49 0.00 0.00 175.26 174.18 1q3r s LYS 188 N -0.22 3.68 -0.17 1.61 -2.85 -1.26 -0.65 119.74 119.89 1q3r s LYS 188 Ca -0.01 -0.49 -0.03 0.00 -1.00 0.00 0.00 55.97 54.45 1q3r s LYS 188 Cb -0.13 -3.13 0.05 0.00 -2.06 0.00 0.00 37.83 32.56 1q3r s LYS 188 CO 0.03 0.03 0.03 0.21 0.10 0.00 0.00 175.35 175.75 1q3r s LYS 189 N 0.96 0.65 -0.65 1.78 2.47 0.50 -4.83 119.74 120.62 1q3r s LYS 189 Ca 0.02 -0.30 -0.01 0.00 -1.56 0.00 0.00 55.97 54.12 1q3r s LYS 189 Cb -0.14 -1.85 0.00 0.00 -1.46 0.00 0.00 37.83 34.38 1q3r s LYS 189 CO 0.02 -0.56 0.55 -0.25 0.16 0.00 0.00 175.35 175.27 1q3r n ASP 190 N 5.07 -2.50 0.00 1.43 8.00 -1.26 -2.33 116.55 124.96 1q3r n ASP 190 Ca -0.09 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.10 1q3r n ASP 190 Cb 0.48 -2.94 0.00 0.00 -0.02 0.00 0.00 41.12 38.64 1q3r n ASP 190 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1q3r n GLY 191 N -1.12 0.12 3.54 0.44 0.00 -1.26 -4.95 105.19 101.97 1q3r n GLY 191 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1q3r n GLY 191 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1q3r s LYS 192 N -1.40 2.36 -0.04 1.61 3.01 -0.98 -5.08 119.74 119.21 1q3r s LYS 192 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.13 1q3r s LYS 192 Cb 0.00 -2.38 -0.03 0.00 -1.01 0.00 0.00 37.83 34.41 1q3r s LYS 192 CO 0.00 0.57 -0.02 0.71 0.51 0.00 0.00 175.35 177.12 1q3r s TYR 193 N -0.98 3.05 -0.02 3.18 4.12 -1.26 0.19 117.35 125.63 1q3r s TYR 193 Ca 0.16 0.09 0.02 0.00 0.02 0.00 0.00 57.07 57.36 1q3r s TYR 193 Cb -0.11 -1.71 0.01 0.00 -1.52 0.00 0.00 41.96 38.63 1q3r s TYR 193 CO 0.07 0.42 -0.05 0.08 0.02 0.00 0.00 175.55 176.09 1q3r s VAL 194 N -0.95 0.49 -0.11 0.71 1.01 0.18 -4.36 120.40 117.37 1q3r s VAL 194 Ca 0.16 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.96 1q3r s VAL 194 Cb -0.11 -0.46 0.01 0.00 0.00 0.00 0.00 36.38 35.82 1q3r s VAL 194 CO 0.05 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.48 1q3r s VAL 195 N 0.30 1.49 -0.41 2.92 1.01 -1.26 -1.84 120.40 122.60 1q3r s VAL 195 Ca -0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.17 1q3r s VAL 195 Cb -0.07 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1q3r s VAL 195 CO -0.00 0.44 0.29 -0.62 0.00 0.00 0.00 175.10 175.21 1q3r s ASP 196 N 0.94 5.98 0.00 3.32 -1.08 -1.26 -4.94 116.67 119.63 1q3r s ASP 196 Ca -0.08 -1.06 0.03 0.00 -0.52 0.00 0.00 52.55 50.93 1q3r s ASP 196 Cb -0.15 -2.11 0.21 0.00 -1.46 0.00 0.00 42.92 39.40 1q3r s ASP 196 CO -0.01 -0.48 0.65 0.18 0.52 0.00 0.00 175.17 176.03 1q3r n LEU 197 N 5.10 0.00 0.08 -1.34 4.32 -1.26 -1.60 117.00 122.31 1q3r n LEU 197 Ca -0.11 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 56.00 1q3r n LEU 197 Cb 0.46 0.00 0.31 0.00 -1.62 0.00 0.00 43.42 42.57 1q3r n LEU 197 CO 0.41 0.00 0.67 0.47 -1.22 0.00 0.00 177.39 177.72 1q3r n ASP 198 N -0.95 0.75 -0.54 -1.43 10.43 -1.26 -3.05 116.55 120.49 1q3r n ASP 198 Ca 0.03 0.38 0.03 0.00 2.57 0.00 0.00 54.79 57.80 1q3r n ASP 198 Cb 0.01 -0.39 0.10 0.00 1.84 0.00 0.00 41.12 42.68 1q3r n ASP 198 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1q3r n ASN 199 N -2.18 1.50 -3.76 -2.24 3.02 -0.63 -4.58 115.26 106.39 1q3r n ASN 199 Ca 0.05 -2.07 -0.29 0.00 -0.03 0.00 0.00 54.58 52.23 1q3r n ASN 199 Cb 0.43 -0.25 -0.15 0.00 -0.61 0.00 0.00 39.78 39.19 1q3r n ASN 199 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1q3r s ILE 200 N -1.66 0.90 0.23 2.41 1.01 -1.17 0.17 121.20 123.09 1q3r s ILE 200 Ca 0.15 -1.19 -0.08 0.00 0.00 0.00 0.00 60.65 59.53 1q3r s ILE 200 Cb 0.09 -1.55 -0.07 0.00 0.01 0.00 0.00 42.46 40.95 1q3r s ILE 200 CO 0.09 -0.49 0.54 -0.54 0.00 0.00 0.00 174.94 174.53 1q3r s LYS 201 N 1.63 3.75 -0.20 2.79 3.01 0.00 -4.95 119.74 125.78 1q3r s LYS 201 Ca 0.05 0.20 0.02 0.00 -1.01 0.00 0.00 55.97 55.22 1q3r s LYS 201 Cb -0.17 -2.66 0.03 0.00 -1.01 0.00 0.00 37.83 34.02 1q3r s LYS 201 CO -0.18 0.31 -0.17 -0.06 0.51 0.00 0.00 175.35 175.75 1q3r s PHE 202 N -1.86 2.91 -0.18 3.18 0.40 -1.26 -0.08 117.98 121.09 1q3r s PHE 202 Ca 0.46 -1.85 -0.04 0.00 -0.60 0.00 0.00 56.93 54.90 1q3r s PHE 202 Cb -0.11 -1.91 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1q3r s PHE 202 CO 0.23 -0.83 -0.02 -1.21 0.70 0.00 0.00 175.22 174.09 1q3r s GLU 203 N 1.24 3.63 0.13 0.44 0.41 -0.96 -4.98 118.70 118.62 1q3r s GLU 203 Ca 0.01 -0.52 0.04 0.00 -0.41 0.00 0.00 54.97 54.08 1q3r s GLU 203 Cb -0.15 -2.99 -0.04 0.00 -1.78 0.00 0.00 34.13 29.17 1q3r s GLU 203 CO -0.10 0.12 0.14 0.15 -0.49 0.00 0.00 175.26 175.07 1q3r s LYS 204 N 0.71 2.99 -0.30 1.61 1.02 -1.26 0.14 119.74 124.65 1q3r s LYS 204 Ca -0.01 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 1q3r s LYS 204 Cb -0.14 -2.73 0.18 0.00 -0.52 0.00 0.00 37.83 34.62 1q3r s LYS 204 CO 0.02 0.52 1.04 0.21 -0.92 0.00 0.00 175.35 176.22 1q3r s LYS 205 N -2.88 0.17 0.63 1.68 2.47 -0.96 -4.94 119.74 115.92 1q3r s LYS 205 Ca 0.31 0.23 -0.18 0.00 -1.56 0.00 0.00 55.97 54.77 1q3r s LYS 205 Cb -0.11 0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.35 1q3r s LYS 205 CO 0.24 -0.26 1.16 0.00 0.16 0.00 0.00 175.35 176.64 1q3r n ALA 206 N 5.29 0.74 0.00 3.13 0.00 -1.26 -4.03 120.51 124.38 1q3r n ALA 206 Ca 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q3r n ALA 206 Cb 0.56 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.77 1q3r n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 207 N 1.08 3.84 7.00 0.00 0.00 0.12 -4.60 105.19 112.63 1q3r n GLY 207 Ca 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1q3r n GLY 207 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q3r n GLU 208 N -1.47 0.00 -4.31 1.61 -0.58 -1.26 -2.18 120.64 112.44 1q3r n GLU 208 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 1q3r n GLU 208 Cb 0.00 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 30.77 1q3r n GLU 208 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1q3r s GLY 209 N -2.87 1.36 0.54 0.62 0.00 -1.26 -3.33 107.32 102.38 1q3r s GLY 209 Ca 0.00 -1.65 0.34 0.00 0.00 0.00 0.00 44.72 43.41 1q3r s GLY 209 CO 0.00 -1.67 1.85 -2.08 0.00 0.00 0.00 173.10 171.20 1q3r h VAL 210 N 2.59 0.48 0.00 1.40 2.07 -1.86 0.53 116.25 121.46 1q3r h VAL 210 Ca -0.38 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1q3r h VAL 210 Cb 1.21 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1q3r h VAL 210 CO 0.64 0.00 -0.00 -0.08 0.02 0.00 0.00 177.57 178.15 1q3r h GLU 211 N 0.00 0.00 -0.01 1.57 4.57 -1.95 -2.01 114.58 116.76 1q3r h GLU 211 Ca 0.49 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.67 1q3r h GLU 211 Cb 1.98 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.57 1q3r h GLU 211 CO -0.01 0.00 -0.17 0.39 -1.18 0.00 0.00 179.01 178.04 1q3r n GLU 212 N -3.13 0.85 -1.71 1.92 4.71 0.19 -4.94 120.64 118.52 1q3r n GLU 212 Ca -0.03 -0.42 -0.37 0.00 -0.01 0.00 0.00 57.16 56.32 1q3r n GLU 212 Cb 0.07 -1.49 0.06 0.00 -1.01 0.00 0.00 31.44 29.07 1q3r n GLU 212 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1q3r n SER 213 N -0.71 2.02 -3.95 1.62 7.64 -0.76 -4.79 113.62 114.70 1q3r n SER 213 Ca 0.14 0.86 -0.12 0.00 1.01 0.00 0.00 58.87 60.76 1q3r n SER 213 Cb 0.32 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.91 1q3r n SER 213 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1q3r s GLU 214 N -3.16 1.46 -0.20 1.43 -1.05 -0.39 -4.99 118.70 111.80 1q3r s GLU 214 Ca 0.79 -1.51 -0.04 0.00 -0.15 0.00 0.00 54.97 54.06 1q3r s GLU 214 Cb -0.40 0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1q3r s GLU 214 CO 0.43 -0.56 -0.03 -1.17 0.95 0.00 0.00 175.26 174.89 1q3r s LEU 215 N -3.12 3.09 -0.38 1.83 1.98 -1.26 -0.86 118.68 119.95 1q3r s LEU 215 Ca 0.31 -0.27 -0.10 0.00 -2.89 0.00 0.00 54.13 51.18 1q3r s LEU 215 Cb 0.03 -1.78 0.05 0.00 0.66 0.00 0.00 46.19 45.15 1q3r s LEU 215 CO 0.13 0.05 0.20 -0.69 -1.89 0.00 0.00 176.35 174.15 1q3r s VAL 216 N 1.09 4.32 -0.75 1.68 1.01 0.12 -4.97 120.40 122.90 1q3r s VAL 216 Ca 0.02 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.75 1q3r s VAL 216 Cb -0.15 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.61 1q3r s VAL 216 CO 0.01 -0.31 1.93 0.54 0.00 0.00 0.00 175.10 177.26 1q3r n ARG 217 N 4.94 1.55 0.00 2.72 1.74 -1.26 -2.02 116.66 124.33 1q3r n ARG 217 Ca -0.11 -1.62 0.00 0.00 -0.77 0.00 0.00 57.85 55.34 1q3r n ARG 217 Cb 0.45 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.18 1q3r n ARG 217 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q3r n GLY 218 N 4.28 -0.92 2.91 -0.13 0.00 -1.26 -2.31 105.19 107.77 1q3r n GLY 218 Ca 0.46 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 1q3r n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3r s VAL 219 N -3.87 0.18 -0.37 1.61 1.01 0.76 -2.87 120.40 116.85 1q3r s VAL 219 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1q3r s VAL 219 Cb 0.00 -0.17 0.09 0.00 0.00 0.00 0.00 36.38 36.30 1q3r s VAL 219 CO 0.00 0.01 0.13 -0.69 0.00 0.00 0.00 175.10 174.55 1q3r s VAL 220 N -0.15 3.06 -0.15 2.92 1.01 -1.26 -0.67 120.40 125.16 1q3r s VAL 220 Ca -0.00 -1.91 -0.17 0.00 0.00 0.00 0.00 61.98 59.90 1q3r s VAL 220 Cb -0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1q3r s VAL 220 CO -0.00 -0.52 0.43 -0.63 0.00 0.00 0.00 175.10 174.38 1q3r s ILE 221 N 1.14 5.21 -1.31 2.22 -1.09 -0.52 -4.96 121.20 121.89 1q3r s ILE 221 Ca 0.05 0.82 -0.14 0.00 -2.23 0.00 0.00 60.65 59.15 1q3r s ILE 221 Cb -0.21 -3.76 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1q3r s ILE 221 CO -0.04 0.31 1.80 -0.67 -1.23 0.00 0.00 174.94 175.11 1q3r n ASP 222 N 3.93 4.81 -2.51 3.58 2.03 -1.26 -1.31 116.55 125.83 1q3r n ASP 222 Ca -0.08 -2.96 -0.10 0.00 0.52 0.00 0.00 54.79 52.17 1q3r n ASP 222 Cb 0.51 -1.62 -0.01 0.00 -0.72 0.00 0.00 41.12 39.28 1q3r n ASP 222 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1q3r n LYS 223 N 6.17 0.67 -4.23 -0.67 5.02 -1.26 -4.99 118.16 118.88 1q3r n LYS 223 Ca 0.44 -2.04 -0.13 0.00 -2.02 0.00 0.00 58.31 54.56 1q3r n LYS 223 Cb 0.41 2.14 -0.10 0.00 -0.02 0.00 0.00 35.03 37.46 1q3r n LYS 223 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1q3r s GLU 224 N -2.43 1.07 -0.01 1.97 -1.05 -1.26 -3.24 118.70 113.75 1q3r s GLU 224 Ca 0.19 -1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 53.20 1q3r s GLU 224 Cb -0.02 -0.20 -0.07 0.00 -0.44 0.00 0.00 34.13 33.40 1q3r s GLU 224 CO 0.14 -0.14 1.82 0.08 0.95 0.00 0.00 175.26 178.11 1q3r s VAL 225 N -3.70 3.29 0.42 1.83 1.01 -1.26 -4.63 120.40 117.36 1q3r s VAL 225 Ca 0.23 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.69 1q3r s VAL 225 Cb 0.06 -3.23 0.32 0.00 0.00 0.00 0.00 36.38 33.54 1q3r s VAL 225 CO 0.03 -0.03 1.97 -0.37 0.00 0.00 0.00 175.10 176.70 1q3r h VAL 226 N 5.62 0.91 -3.63 2.92 -1.51 -1.67 -3.42 116.25 115.47 1q3r h VAL 226 Ca -0.45 -0.16 -0.67 0.00 -1.23 0.00 0.00 66.70 64.19 1q3r h VAL 226 Cb 1.21 0.40 -0.22 0.00 -2.13 0.00 0.00 31.29 30.55 1q3r h VAL 226 CO 0.95 0.08 -0.73 -2.28 -1.23 0.00 0.00 177.57 174.37 1q3r s HIS 227 N -5.44 2.86 0.38 5.19 2.46 -1.26 -5.02 115.29 114.46 1q3r s HIS 227 Ca -0.08 -0.22 0.08 0.00 0.47 0.00 0.00 55.06 55.30 1q3r s HIS 227 Cb 0.20 -1.76 0.77 0.00 -0.13 0.00 0.00 32.58 31.66 1q3r s HIS 227 CO 0.75 0.12 1.95 -1.00 -2.47 0.00 0.00 174.74 174.09 1q3r h PRO 228 N 5.82 0.38 -0.00 2.88 0.13 -1.99 -2.79 132.00 136.42 1q3r h PRO 228 Ca -0.40 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1q3r h PRO 228 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1q3r h PRO 228 CO 0.54 0.41 -0.09 -2.13 -0.23 0.00 0.00 178.00 176.50 1q3r n ARG 229 N -4.33 0.76 -1.96 0.86 0.63 -1.26 -4.88 116.66 106.47 1q3r n ARG 229 Ca 0.01 -0.24 -0.32 0.00 -0.92 0.00 0.00 57.85 56.38 1q3r n ARG 229 Cb 0.21 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 31.63 1q3r n ARG 229 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1q3r s MET 230 N -2.41 3.47 0.72 -0.14 -1.94 -1.05 -4.96 119.30 112.98 1q3r s MET 230 Ca 0.31 0.94 -0.14 0.00 -1.71 0.00 0.00 55.69 55.09 1q3r s MET 230 Cb 0.20 -2.06 0.03 0.00 2.01 0.00 0.00 34.83 35.01 1q3r s MET 230 CO 0.46 -0.67 1.15 -1.25 -0.01 0.00 0.00 175.02 174.69 1q3r s PRO 231 N -4.64 2.34 0.00 2.03 0.04 -1.26 -4.94 135.00 128.56 1q3r s PRO 231 Ca 0.58 1.52 0.14 0.00 0.04 0.00 0.00 61.00 63.29 1q3r s PRO 231 Cb -0.12 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.59 1q3r s PRO 231 CO 0.45 -1.63 0.87 1.63 0.04 0.00 0.00 177.00 178.35 1q3r n LYS 232 N -2.80 1.44 -3.69 4.56 4.76 -1.26 -4.77 118.16 116.40 1q3r n LYS 232 Ca 0.11 -1.05 -0.10 0.00 -2.87 0.00 0.00 58.31 54.40 1q3r n LYS 232 Cb 0.51 -1.24 -0.11 0.00 -1.84 0.00 0.00 35.03 32.36 1q3r n LYS 232 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1q3r s ARG 233 N -1.46 0.39 -0.13 1.97 3.52 -1.26 -1.38 118.95 120.60 1q3r s ARG 233 Ca 0.14 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.56 1q3r s ARG 233 Cb 0.12 0.01 0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1q3r s ARG 233 CO 0.27 -0.17 -0.05 0.08 -0.81 0.00 0.00 175.30 174.62 1q3r s VAL 234 N 1.53 0.90 0.00 7.11 1.01 -0.10 -5.01 120.40 125.84 1q3r s VAL 234 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1q3r s VAL 234 Cb -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 36.38 35.26 1q3r s VAL 234 CO -0.13 0.22 0.07 1.21 0.00 0.00 0.00 175.10 176.47 1q3r n GLU 235 N 4.96 0.00 -1.55 2.72 4.07 -1.26 -1.66 120.64 127.92 1q3r n GLU 235 Ca -0.11 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.64 1q3r n GLU 235 Cb 0.49 -0.42 -0.04 0.00 -0.06 0.00 0.00 31.44 31.41 1q3r n GLU 235 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1q3r n ASN 236 N -0.11 7.83 -4.54 4.31 3.02 -1.25 -2.88 115.26 121.64 1q3r n ASN 236 Ca 0.00 -2.85 -0.51 0.00 -0.03 0.00 0.00 54.58 51.19 1q3r n ASN 236 Cb 0.00 -1.43 -0.05 0.00 -0.61 0.00 0.00 39.78 37.69 1q3r n ASN 236 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1q3r n ALA 237 N 2.44 -1.75 -3.49 5.41 0.00 -1.09 -4.88 120.51 117.15 1q3r n ALA 237 Ca 0.65 0.50 -0.38 0.00 0.00 0.00 0.00 53.44 54.21 1q3r n ALA 237 Cb 0.35 -1.91 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 1q3r n ALA 237 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q3r s LYS 238 N -0.29 2.39 -0.13 0.00 1.02 -1.26 -3.28 119.74 118.20 1q3r s LYS 238 Ca 0.77 -1.55 -0.16 0.00 0.02 0.00 0.00 55.97 55.05 1q3r s LYS 238 Cb -0.97 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 32.66 1q3r s LYS 238 CO 0.53 -0.95 0.40 0.42 -0.92 0.00 0.00 175.35 174.84 1q3r s ILE 239 N 1.31 5.22 -0.12 2.17 1.01 -0.15 -1.44 121.20 129.20 1q3r s ILE 239 Ca 0.03 0.79 -0.01 0.00 0.00 0.00 0.00 60.65 61.47 1q3r s ILE 239 Cb -0.23 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1q3r s ILE 239 CO -0.00 0.37 -0.09 0.00 0.00 0.00 0.00 174.94 175.21 1q3r s ALA 240 N 0.44 2.80 -0.26 9.38 0.00 0.69 -0.40 121.76 134.40 1q3r s ALA 240 Ca 0.22 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1q3r s ALA 240 Cb -0.14 -1.30 0.04 0.00 0.00 0.00 0.00 23.12 21.71 1q3r s ALA 240 CO 0.08 0.31 -0.06 -0.51 0.00 0.00 0.00 175.76 175.58 1q3r s LEU 241 N 0.10 3.38 -0.02 0.00 1.43 -1.26 -1.03 118.68 121.28 1q3r s LEU 241 Ca -0.04 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.05 1q3r s LEU 241 Cb -0.14 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 1q3r s LEU 241 CO 0.04 -0.17 -0.17 -0.63 0.23 0.00 0.00 176.35 175.65 1q3r s ILE 242 N 1.27 1.36 -0.05 -0.59 1.01 -0.63 -1.32 121.20 122.25 1q3r s ILE 242 Ca -0.03 -0.72 0.12 0.00 0.00 0.00 0.00 60.65 60.02 1q3r s ILE 242 Cb -0.18 -1.14 -0.18 0.00 0.01 0.00 0.00 42.46 40.98 1q3r s ILE 242 CO -0.04 0.39 0.19 -0.46 0.00 0.00 0.00 174.94 175.02 1q3r n ASN 243 N 2.76 2.15 -4.76 3.58 0.23 -1.14 -0.37 115.26 117.70 1q3r n ASN 243 Ca -0.15 0.00 -0.41 0.00 -0.53 0.00 0.00 54.58 53.48 1q3r n ASN 243 Cb 0.54 1.29 -0.02 0.00 -2.08 0.00 0.00 39.78 39.51 1q3r n ASN 243 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 1q3r s GLU 244 N -2.66 4.22 0.33 -3.83 2.12 -1.10 -2.67 118.70 115.11 1q3r s GLU 244 Ca -0.05 2.40 -0.29 0.00 0.36 0.00 0.00 54.97 57.40 1q3r s GLU 244 Cb 0.06 -3.05 -0.10 0.00 0.26 0.00 0.00 34.13 31.30 1q3r s GLU 244 CO 0.50 -0.44 1.29 0.00 -0.54 0.00 0.00 175.26 176.08 1q3r s ALA 245 N -0.50 3.48 -1.29 6.30 0.00 -1.26 -4.67 121.76 123.81 1q3r s ALA 245 Ca 0.56 1.24 -0.15 0.00 0.00 0.00 0.00 51.96 53.61 1q3r s ALA 245 Cb -0.44 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.33 1q3r s ALA 245 CO 0.51 -0.62 1.74 1.28 0.00 0.00 0.00 175.76 178.66 1q3r n LEU 246 N 0.78 5.61 0.00 0.00 4.32 -0.53 -4.86 117.00 122.31 1q3r n LEU 246 Ca 0.00 -4.25 -0.15 0.00 -0.02 0.00 0.00 56.01 51.59 1q3r n LEU 246 Cb 0.42 -1.65 -0.05 0.00 -1.62 0.00 0.00 43.42 40.52 1q3r n LEU 246 CO 0.59 0.69 0.04 -0.62 -1.22 0.00 0.00 177.39 176.87 1q3r n GLU 247 N 6.41 0.52 -2.44 3.23 1.02 -1.26 -1.85 120.64 126.27 1q3r n GLU 247 Ca 0.44 -2.76 -0.43 0.00 -0.02 0.00 0.00 57.16 54.39 1q3r n GLU 247 Cb 0.42 2.47 -0.02 0.00 -0.02 0.00 0.00 31.44 34.29 1q3r n GLU 247 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1q3r s VAL 248 N -2.98 4.01 0.53 2.62 1.01 -1.26 -4.87 120.40 119.46 1q3r s VAL 248 Ca 0.31 1.03 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 1q3r s VAL 248 Cb 0.00 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1q3r s VAL 248 CO 0.22 -0.85 1.28 -0.54 0.00 0.00 0.00 175.10 175.20 1q3r s LYS 249 N 4.77 3.27 0.05 2.72 -0.14 -1.26 -5.06 119.74 124.10 1q3r s LYS 249 Ca 0.57 2.03 0.05 0.00 -1.36 0.00 0.00 55.97 57.25 1q3r s LYS 249 Cb -0.11 -2.23 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 1q3r s LYS 249 CO 0.32 -1.02 -0.13 0.15 -0.76 0.00 0.00 175.35 173.91 1q3r s LYS 250 N -2.93 0.84 0.73 1.68 1.02 -1.26 -5.14 119.74 114.68 1q3r s LYS 250 Ca 0.71 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.75 1q3r s LYS 250 Cb -0.35 -0.84 0.04 0.00 -0.52 0.00 0.00 37.83 36.16 1q3r s LYS 250 CO 0.41 0.20 1.10 0.95 -0.92 0.00 0.00 175.35 177.09 1q3r s THR 251 N -1.05 3.24 0.20 2.17 -4.23 -1.26 -4.94 115.64 109.77 1q3r s THR 251 Ca -0.01 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 1q3r s THR 251 Cb -0.09 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.75 1q3r s THR 251 CO 0.02 -0.46 1.53 -0.33 -0.54 0.00 0.00 174.62 174.84 1q3r h GLU 252 N -0.66 0.55 -6.89 3.99 4.39 -2.04 -3.43 114.58 110.49 1q3r h GLU 252 Ca -0.45 -0.33 -0.48 0.00 0.34 0.00 0.00 59.36 58.44 1q3r h GLU 252 Cb 1.24 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1q3r h GLU 252 CO 0.52 0.93 0.40 0.99 -1.16 0.00 0.00 179.01 180.69 1q3r s THR 253 N -4.06 3.87 0.46 1.13 2.01 -1.26 -4.99 115.64 112.81 1q3r s THR 253 Ca -0.07 1.59 -0.24 0.00 0.31 0.00 0.00 61.69 63.28 1q3r s THR 253 Cb 0.12 -3.90 -0.07 0.00 0.01 0.00 0.00 72.50 68.65 1q3r s THR 253 CO 0.84 0.17 1.30 -1.81 -0.69 0.00 0.00 174.62 174.42 1q3r s ASP 254 N -1.41 5.94 0.03 3.53 1.01 -1.26 -5.02 116.67 119.48 1q3r s ASP 254 Ca 0.51 2.63 -0.17 0.00 0.71 0.00 0.00 52.55 56.23 1q3r s ASP 254 Cb -0.23 -2.63 0.03 0.00 1.01 0.00 0.00 42.92 41.10 1q3r s ASP 254 CO 0.29 -1.10 0.37 0.00 0.21 0.00 0.00 175.17 174.94 1q3r s ALA 255 N -1.34 -0.89 -0.12 5.23 0.00 -1.26 -5.09 121.76 118.29 1q3r s ALA 255 Ca 0.63 0.23 -0.08 0.00 0.00 0.00 0.00 51.96 52.74 1q3r s ALA 255 Cb -0.37 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.09 1q3r s ALA 255 CO 0.46 -0.41 0.31 0.21 0.00 0.00 0.00 175.76 176.32 1q3r s LYS 256 N -2.33 0.31 0.09 0.00 2.20 -1.26 -5.10 119.74 113.65 1q3r s LYS 256 Ca -0.06 0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 55.80 1q3r s LYS 256 Cb -0.01 0.01 -0.06 0.00 -1.51 0.00 0.00 37.83 36.26 1q3r s LYS 256 CO -0.02 -0.12 1.07 0.42 -0.36 0.00 0.00 175.35 176.34 1q3r s ILE 257 N 0.90 4.29 -0.73 5.43 1.01 -1.26 -4.98 121.20 125.86 1q3r s ILE 257 Ca -0.06 1.78 -0.07 0.00 0.00 0.00 0.00 60.65 62.30 1q3r s ILE 257 Cb -0.07 -4.14 0.19 0.00 0.01 0.00 0.00 42.46 38.45 1q3r s ILE 257 CO -0.06 0.21 0.60 0.21 0.00 0.00 0.00 174.94 175.90 1q3r s ASN 258 N 0.51 5.90 0.16 3.58 3.04 -1.26 -5.06 114.94 121.81 1q3r s ASN 258 Ca 0.52 -2.86 -0.31 0.00 0.04 0.00 0.00 52.86 50.26 1q3r s ASN 258 Cb -0.26 -2.00 -0.08 0.00 -1.54 0.00 0.00 41.25 37.36 1q3r s ASN 258 CO 0.31 -0.43 1.35 -0.63 -3.04 0.00 0.00 177.10 174.66 1q3r s ILE 259 N -0.08 3.23 0.00 -5.21 -1.09 -1.26 -4.91 121.20 111.88 1q3r s ILE 259 Ca 0.18 0.94 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 1q3r s ILE 259 Cb -0.15 -3.60 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1q3r s ILE 259 CO -0.06 0.11 0.00 0.41 -1.23 0.00 0.00 174.94 174.17 1q3r n THR 260 N 3.25 0.00 -3.98 2.92 -1.04 -1.26 -5.07 114.28 109.10 1q3r n THR 260 Ca 0.09 -0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.97 1q3r n THR 260 Cb 0.42 0.37 -0.12 0.00 -1.82 0.00 0.00 70.33 69.18 1q3r n THR 260 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1q3r s SER 261 N -1.10 0.31 0.36 8.00 1.04 -1.26 -5.06 113.70 115.99 1q3r s SER 261 Ca 0.00 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.05 1q3r s SER 261 Cb 0.00 0.07 0.73 0.00 0.10 0.00 0.00 66.02 66.92 1q3r s SER 261 CO 0.00 -0.24 1.97 -0.65 0.98 0.00 0.00 173.24 175.30 1q3r h PRO 262 N 4.85 0.74 -0.16 4.02 0.11 -2.03 -1.44 132.00 138.10 1q3r h PRO 262 Ca -0.31 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.80 1q3r h PRO 262 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1q3r h PRO 262 CO 0.42 0.49 0.19 0.38 -0.21 0.00 0.00 178.00 179.28 1q3r h ASP 263 N 0.76 0.00 -0.35 -2.05 -0.00 -2.02 -0.97 116.42 111.79 1q3r h ASP 263 Ca 0.30 0.00 -0.13 0.00 -0.00 0.00 0.00 57.03 57.19 1q3r h ASP 263 Cb 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.53 1q3r h ASP 263 CO -0.09 0.00 -0.30 1.56 -0.00 0.00 0.00 179.24 180.41 1q3r h GLN 264 N 0.00 0.83 -1.24 4.15 4.20 -1.68 -2.23 115.11 119.14 1q3r h GLN 264 Ca 0.08 -0.42 0.38 0.00 0.06 0.00 0.00 58.65 58.76 1q3r h GLN 264 Cb 0.46 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 28.13 1q3r h GLN 264 CO -0.00 1.05 0.80 -0.07 -0.67 0.00 0.00 178.83 179.94 1q3r h LEU 265 N 0.61 0.29 0.08 1.46 3.38 -1.29 -1.27 115.31 118.58 1q3r h LEU 265 Ca 0.06 0.12 -0.29 0.00 0.09 0.00 0.00 57.88 57.86 1q3r h LEU 265 Cb 0.87 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1q3r h LEU 265 CO 0.08 -0.10 -1.55 0.24 0.09 0.00 0.00 178.44 177.19 1q3r h MET 266 N 0.17 0.17 -0.83 1.13 2.86 -1.64 -3.30 114.93 113.49 1q3r h MET 266 Ca 0.75 -0.28 0.10 0.00 -2.06 0.00 0.00 59.70 58.21 1q3r h MET 266 Cb 2.26 0.11 -0.06 0.00 0.06 0.00 0.00 31.60 33.97 1q3r h MET 266 CO -0.37 1.14 0.54 0.66 1.06 0.00 0.00 176.91 179.93 1q3r h SER 267 N -0.42 0.69 0.34 1.22 4.64 -0.64 -1.13 113.55 118.25 1q3r h SER 267 Ca -0.36 0.02 -0.25 0.00 -0.47 0.00 0.00 61.79 60.74 1q3r h SER 267 Cb 1.69 -0.12 0.01 0.00 -0.31 0.00 0.00 62.40 63.67 1q3r h SER 267 CO -0.02 0.40 -1.04 -0.26 -0.87 0.00 0.00 176.83 175.04 1q3r h PHE 268 N 0.76 0.67 -0.43 4.77 -1.00 -1.50 -2.44 116.94 117.75 1q3r h PHE 268 Ca 0.39 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1q3r h PHE 268 Cb 0.48 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 1q3r h PHE 268 CO -0.00 1.23 0.24 -0.07 -1.61 0.00 0.00 178.31 178.10 1q3r h LEU 269 N 0.22 0.54 -1.63 1.54 3.38 -1.48 -2.01 115.31 115.87 1q3r h LEU 269 Ca -0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1q3r h LEU 269 Cb 1.69 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.30 1q3r h LEU 269 CO 0.18 0.46 -0.06 -0.33 0.09 0.00 0.00 178.44 178.78 1q3r h GLU 270 N 0.57 0.00 0.00 1.13 5.08 -1.25 -0.68 114.58 119.44 1q3r h GLU 270 Ca 0.15 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.28 1q3r h GLU 270 Cb 0.04 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.31 1q3r h GLU 270 CO -0.03 0.06 -0.93 0.37 -1.00 0.00 0.00 179.01 177.49 1q3r h GLN 271 N 0.00 0.63 -0.37 2.33 5.75 -0.88 -0.31 115.11 122.26 1q3r h GLN 271 Ca -0.00 -0.68 -0.12 0.00 -0.15 0.00 0.00 58.65 57.71 1q3r h GLN 271 Cb 0.48 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 1q3r h GLN 271 CO 0.01 1.27 -0.24 0.93 -2.65 0.00 0.00 178.83 178.15 1q3r h GLU 272 N 0.26 0.73 -0.20 1.69 5.08 -1.04 -0.59 114.58 120.51 1q3r h GLU 272 Ca -0.12 -0.30 0.04 0.00 -1.00 0.00 0.00 59.36 57.98 1q3r h GLU 272 Cb 1.60 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.78 1q3r h GLU 272 CO 0.18 0.90 -0.06 1.49 -1.00 0.00 0.00 179.01 180.53 1q3r h GLU 273 N 0.64 -0.01 -0.65 2.33 4.81 -1.03 -0.75 114.58 119.91 1q3r h GLU 273 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1q3r h GLU 273 Cb 0.74 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1q3r h GLU 273 CO 0.06 -0.01 0.32 -0.22 -0.73 0.00 0.00 179.01 178.43 1q3r h LYS 274 N -0.01 0.93 -0.31 1.92 3.64 -0.65 -1.84 116.57 120.25 1q3r h LYS 274 Ca 0.10 -0.14 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1q3r h LYS 274 Cb 0.16 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 1q3r h LYS 274 CO -0.21 0.74 0.20 0.52 -2.27 0.00 0.00 179.45 178.42 1q3r h MET 275 N 0.90 0.39 -0.00 1.90 2.86 -0.53 0.39 114.93 120.83 1q3r h MET 275 Ca 0.22 -0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1q3r h MET 275 Cb 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1q3r h MET 275 CO -0.03 0.26 -0.06 1.25 1.06 0.00 0.00 176.91 179.38 1q3r h LEU 276 N 0.40 -0.18 -0.07 1.22 7.12 -0.97 -2.58 115.31 120.24 1q3r h LEU 276 Ca 0.12 0.03 -0.00 0.00 0.13 0.00 0.00 57.88 58.15 1q3r h LEU 276 Cb -0.03 0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.17 1q3r h LEU 276 CO -0.03 -0.10 0.04 0.50 -0.13 0.00 0.00 178.44 178.72 1q3r h LYS 277 N -0.11 0.10 -0.88 1.25 3.64 -1.04 -2.89 116.57 116.64 1q3r h LYS 277 Ca 0.03 -0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.58 1q3r h LYS 277 Cb 0.15 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 31.84 1q3r h LYS 277 CO -0.07 0.14 0.43 -0.44 -2.27 0.00 0.00 179.45 177.24 1q3r h ASP 278 N 0.03 0.45 0.71 4.20 3.32 -0.11 0.96 116.42 125.98 1q3r h ASP 278 Ca 0.02 0.12 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 1q3r h ASP 278 Cb 0.07 0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1q3r h ASP 278 CO -0.00 0.12 -0.44 0.24 -1.72 0.00 0.00 179.24 177.43 1q3r h MET 279 N 0.52 -1.05 -0.67 3.56 2.86 -1.26 0.53 114.93 119.44 1q3r h MET 279 Ca 0.51 0.07 0.13 0.00 -2.06 0.00 0.00 59.70 58.35 1q3r h MET 279 Cb 0.86 0.24 -0.09 0.00 0.06 0.00 0.00 31.60 32.67 1q3r h MET 279 CO -0.44 -0.70 0.20 0.28 1.06 0.00 0.00 176.91 177.31 1q3r h VAL 280 N -1.08 0.64 -0.32 -2.22 2.07 -1.17 -0.50 116.25 113.66 1q3r h VAL 280 Ca -0.09 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.36 1q3r h VAL 280 Cb 0.87 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.89 1q3r h VAL 280 CO 0.09 0.06 0.08 0.44 0.02 0.00 0.00 177.57 178.26 1q3r h ASP 281 N 0.33 0.04 -0.82 0.57 3.32 -0.51 -0.66 116.42 118.69 1q3r h ASP 281 Ca 0.36 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.54 1q3r h ASP 281 Cb 0.54 0.06 -0.07 0.00 0.22 0.00 0.00 39.33 40.07 1q3r h ASP 281 CO -0.41 0.06 0.48 -0.74 -1.72 0.00 0.00 179.24 176.91 1q3r h HIS 282 N 0.19 0.87 0.73 4.55 2.76 0.68 -0.34 115.15 124.59 1q3r h HIS 282 Ca 0.15 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.31 1q3r h HIS 282 Cb 0.15 -0.27 0.01 0.00 1.55 0.00 0.00 27.41 28.85 1q3r h HIS 282 CO -0.17 0.38 -0.35 0.82 -1.30 0.00 0.00 177.93 177.31 1q3r h ILE 283 N 0.82 0.25 -0.88 6.26 2.04 -0.61 -2.87 117.51 122.51 1q3r h ILE 283 Ca 0.39 -0.09 0.22 0.00 1.00 0.00 0.00 64.86 66.38 1q3r h ILE 283 Cb 0.32 0.28 -0.13 0.00 -0.74 0.00 0.00 36.82 36.55 1q3r h ILE 283 CO -0.23 0.01 0.36 0.00 0.00 0.00 0.00 178.15 178.29 1q3r h ALA 284 N -0.80 1.39 -0.10 1.87 0.00 -0.69 -0.45 119.26 120.48 1q3r h ALA 284 Ca -0.10 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1q3r h ALA 284 Cb 0.76 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1q3r h ALA 284 CO 0.16 -0.36 0.07 1.96 0.00 0.00 0.00 179.25 181.09 1q3r h GLN 285 N 0.37 0.01 0.00 0.00 4.20 -0.86 -1.71 115.11 117.12 1q3r h GLN 285 Ca 0.55 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.26 1q3r h GLN 285 Cb 1.05 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.83 1q3r h GLN 285 CO -0.54 0.01 -0.02 1.79 -0.67 0.00 0.00 178.83 179.40 1q3r h THR 286 N 0.01 0.04 0.00 -0.54 1.35 -0.95 -3.46 112.91 109.36 1q3r h THR 286 Ca 0.05 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1q3r h THR 286 Cb 0.17 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1q3r h THR 286 CO -0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1q3r n GLY 287 N -0.01 0.59 3.66 5.82 0.00 -0.64 -4.44 105.19 110.16 1q3r n GLY 287 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.63 1q3r n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n ALA 288 N -1.25 0.73 -0.84 4.61 0.00 -1.26 -4.81 120.51 117.69 1q3r n ALA 288 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1q3r n ALA 288 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.26 1q3r n ALA 288 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1q3r n ASN 289 N -0.20 0.26 -3.68 0.00 0.23 -0.52 -4.73 115.26 106.62 1q3r n ASN 289 Ca 0.10 -1.10 -0.10 0.00 -0.53 0.00 0.00 54.58 52.95 1q3r n ASN 289 Cb 0.43 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 38.02 1q3r n ASN 289 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1q3r s VAL 290 N -0.10 -0.29 -0.03 3.53 1.01 -1.06 -1.70 120.40 121.76 1q3r s VAL 290 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1q3r s VAL 290 Cb 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1q3r s VAL 290 CO 0.00 0.05 -0.02 0.68 0.00 0.00 0.00 175.10 175.81 1q3r s VAL 291 N 1.92 0.30 -0.28 2.92 -7.23 0.19 -0.23 120.40 117.99 1q3r s VAL 291 Ca -0.06 -0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.02 1q3r s VAL 291 Cb -0.10 -0.34 0.01 0.00 0.56 0.00 0.00 36.38 36.51 1q3r s VAL 291 CO -0.13 0.15 0.05 -0.36 -0.31 0.00 0.00 175.10 174.50 1q3r s PHE 292 N 0.67 3.13 -0.17 2.82 0.40 -0.20 -1.84 117.98 122.80 1q3r s PHE 292 Ca -0.07 -1.11 -0.07 0.00 -0.60 0.00 0.00 56.93 55.07 1q3r s PHE 292 Cb -0.11 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.18 1q3r s PHE 292 CO -0.01 -0.61 0.07 0.08 0.70 0.00 0.00 175.22 175.45 1q3r s VAL 293 N 1.46 4.84 0.12 -0.44 1.01 -0.27 -1.61 120.40 125.51 1q3r s VAL 293 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.87 1q3r s VAL 293 Cb -0.17 -3.16 -0.14 0.00 0.00 0.00 0.00 36.38 32.90 1q3r s VAL 293 CO 0.01 0.49 1.34 -0.61 0.00 0.00 0.00 175.10 176.32 1q3r h GLN 294 N 6.40 0.74 0.00 2.72 4.15 -0.87 -2.34 115.11 125.91 1q3r h GLN 294 Ca -0.40 -0.59 0.00 0.00 0.77 0.00 0.00 58.65 58.43 1q3r h GLN 294 Cb 1.17 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.98 1q3r h GLN 294 CO 0.68 1.21 0.00 1.63 -1.93 0.00 0.00 178.83 180.42 1q3r n LYS 295 N -3.93 3.34 -2.44 1.69 4.01 -1.09 -2.43 118.16 117.32 1q3r n LYS 295 Ca -0.07 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.50 1q3r n LYS 295 Cb 0.73 0.00 0.05 0.00 -0.51 0.00 0.00 35.03 35.30 1q3r n LYS 295 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1q3r s GLY 296 N -0.10 1.76 -0.17 0.72 0.00 -1.26 0.76 107.32 109.03 1q3r s GLY 296 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 44.72 43.53 1q3r s GLY 296 CO 0.00 -0.81 0.04 -0.42 0.00 0.00 0.00 173.10 171.91 1q3r s ILE 297 N -3.00 0.37 0.61 0.90 1.01 -1.26 -1.46 121.20 118.38 1q3r s ILE 297 Ca 0.59 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.69 1q3r s ILE 297 Cb -0.10 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 1q3r s ILE 297 CO 0.41 -0.15 1.03 -0.67 0.00 0.00 0.00 174.94 175.56 1q3r n ASP 298 N 5.11 1.01 -0.11 3.58 -0.08 -0.77 -4.74 116.55 120.56 1q3r n ASP 298 Ca -0.08 0.81 -0.06 0.00 -1.51 0.00 0.00 54.79 53.95 1q3r n ASP 298 Cb 0.48 -1.42 0.02 0.00 2.34 0.00 0.00 41.12 42.54 1q3r n ASP 298 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1q3r h ASP 299 N 0.50 0.07 -0.80 1.67 3.32 -1.99 -0.18 116.42 119.01 1q3r h ASP 299 Ca -0.49 0.05 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1q3r h ASP 299 Cb 1.36 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 40.91 1q3r h ASP 299 CO 0.51 0.08 0.49 0.25 -1.72 0.00 0.00 179.24 178.85 1q3r h LEU 300 N 0.24 0.76 0.02 1.55 6.46 -1.96 -0.53 115.31 121.86 1q3r h LEU 300 Ca 0.17 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 1q3r h LEU 300 Cb 0.18 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.97 1q3r h LEU 300 CO -0.20 0.50 -0.01 0.00 -0.62 0.00 0.00 178.44 178.10 1q3r h ALA 301 N 1.38 -0.03 -0.96 1.25 0.00 -1.66 -1.64 119.26 117.59 1q3r h ALA 301 Ca 0.34 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 55.31 1q3r h ALA 301 Cb 0.15 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.87 1q3r h ALA 301 CO -0.16 -0.47 0.61 1.96 0.00 0.00 0.00 179.25 181.19 1q3r h GLN 302 N -0.13 0.92 -0.30 0.00 4.20 -0.59 0.38 115.11 119.58 1q3r h GLN 302 Ca -0.00 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 1q3r h GLN 302 Cb 0.12 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 1q3r h GLN 302 CO 0.01 0.61 0.12 1.25 -0.67 0.00 0.00 178.83 180.15 1q3r h HIS 303 N 0.95 0.45 -0.20 2.96 2.76 -0.71 0.33 115.15 121.69 1q3r h HIS 303 Ca 0.46 -0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.48 1q3r h HIS 303 Cb 0.46 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 1q3r h HIS 303 CO -0.00 0.44 -0.34 1.88 -1.30 0.00 0.00 177.93 178.61 1q3r h TYR 304 N 0.33 0.73 -0.80 5.26 0.05 -0.34 -1.62 116.97 120.59 1q3r h TYR 304 Ca 0.10 -0.25 0.12 0.00 0.05 0.00 0.00 58.73 58.74 1q3r h TYR 304 Cb 0.18 -0.14 -0.08 0.00 1.01 0.00 0.00 36.73 37.69 1q3r h TYR 304 CO -0.01 0.99 0.42 1.25 -1.05 0.00 0.00 178.16 179.76 1q3r h LEU 305 N 0.27 0.54 0.61 3.88 5.85 -0.15 -1.33 115.31 124.97 1q3r h LEU 305 Ca 0.01 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1q3r h LEU 305 Cb 0.93 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.95 1q3r h LEU 305 CO 0.08 0.27 -0.29 0.00 -0.34 0.00 0.00 178.44 178.16 1q3r h ALA 306 N 1.50 -0.82 -0.47 1.25 0.00 -0.18 -1.71 119.26 118.82 1q3r h ALA 306 Ca 0.41 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.26 1q3r h ALA 306 Cb 0.50 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1q3r h ALA 306 CO -0.31 -0.92 0.60 0.87 0.00 0.00 0.00 179.25 179.50 1q3r h LYS 307 N -0.91 0.00 -0.00 0.00 1.57 -0.42 1.65 116.57 118.45 1q3r h LYS 307 Ca -0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1q3r h LYS 307 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1q3r h LYS 307 CO 0.14 0.00 -0.24 0.66 -0.57 0.00 0.00 179.45 179.44 1q3r n TYR 308 N -3.49 0.00 -2.31 -1.35 4.02 -0.59 -4.91 117.16 108.53 1q3r n TYR 308 Ca 0.09 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.91 1q3r n TYR 308 Cb 0.78 -0.26 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 1q3r n TYR 308 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1q3r n GLY 309 N 1.41 0.19 3.61 2.72 0.00 0.56 -5.01 105.19 108.67 1q3r n GLY 309 Ca 0.10 -0.55 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 1q3r n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 310 N -2.53 4.87 0.23 -0.61 1.01 -0.69 -4.75 121.20 118.73 1q3r s ILE 310 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 60.65 60.40 1q3r s ILE 310 Cb -0.02 -3.23 -0.09 0.00 0.01 0.00 0.00 42.46 39.13 1q3r s ILE 310 CO 0.06 0.41 1.00 -0.32 0.00 0.00 0.00 174.94 176.09 1q3r s MET 311 N 0.76 4.76 0.02 2.79 -2.45 -0.69 -4.40 119.30 120.09 1q3r s MET 311 Ca 0.05 1.59 -0.01 0.00 -1.25 0.00 0.00 55.69 56.07 1q3r s MET 311 Cb -0.13 -3.26 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 1q3r s MET 311 CO 0.02 0.37 -0.00 0.00 1.05 0.00 0.00 175.02 176.46 1q3r s ALA 312 N -0.98 0.05 -0.06 4.11 0.00 -1.26 -0.64 121.76 122.98 1q3r s ALA 312 Ca 0.43 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.88 1q3r s ALA 312 Cb -0.28 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.01 1q3r s ALA 312 CO 0.34 -0.17 -0.06 0.08 0.00 0.00 0.00 175.76 175.96 1q3r s VAL 313 N -1.45 0.72 0.36 0.00 1.01 -0.76 -1.55 120.40 118.72 1q3r s VAL 313 Ca -0.16 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1q3r s VAL 313 Cb -0.10 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 1q3r s VAL 313 CO -0.01 0.28 0.51 0.00 0.00 0.00 0.00 175.10 175.88 1q3r s ARG 314 N 1.05 3.11 -1.42 2.72 1.70 -1.26 -1.11 118.95 123.74 1q3r s ARG 314 Ca -0.09 -0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 54.25 1q3r s ARG 314 Cb -0.14 -2.77 0.00 0.00 -0.57 0.00 0.00 34.95 31.47 1q3r s ARG 314 CO -0.00 -0.00 0.34 0.54 -1.08 0.00 0.00 175.30 175.09 1q3r n ARG 315 N -1.73 -2.41 -2.95 3.89 3.00 0.23 -4.90 116.66 111.78 1q3r n ARG 315 Ca 0.00 0.31 -0.41 0.00 -0.01 0.00 0.00 57.85 57.74 1q3r n ARG 315 Cb 0.58 -4.16 -0.04 0.00 0.00 0.00 0.00 32.46 28.83 1q3r n ARG 315 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1q3r s VAL 316 N -4.03 4.93 0.29 1.55 1.01 -0.91 -4.95 120.40 118.30 1q3r s VAL 316 Ca 0.05 1.55 -0.27 0.00 0.00 0.00 0.00 61.98 63.31 1q3r s VAL 316 Cb -0.02 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.12 1q3r s VAL 316 CO 0.92 0.09 0.80 0.29 0.00 0.00 0.00 175.10 177.20 1q3r n LYS 317 N 4.85 0.86 -0.31 2.72 5.02 -1.26 -4.44 118.16 125.60 1q3r n LYS 317 Ca 0.03 0.30 0.05 0.00 -2.02 0.00 0.00 58.31 56.67 1q3r n LYS 317 Cb 0.49 -1.57 0.25 0.00 -0.02 0.00 0.00 35.03 34.19 1q3r n LYS 317 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1q3r h LYS 318 N 1.50 0.97 -0.22 1.97 1.63 -1.94 -0.98 116.57 119.50 1q3r h LYS 318 Ca -0.37 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.30 1q3r h LYS 318 Cb 1.38 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 1q3r h LYS 318 CO 0.58 0.64 -0.20 0.66 -3.45 0.00 0.00 179.45 177.68 1q3r h SER 319 N 1.00 0.38 1.02 4.20 4.64 -2.00 -2.00 113.55 120.79 1q3r h SER 319 Ca 0.41 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.49 1q3r h SER 319 Cb 0.28 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 1q3r h SER 319 CO -0.16 0.59 -0.61 0.44 -0.87 0.00 0.00 176.83 176.21 1q3r h ASP 320 N 0.35 0.00 -0.48 4.97 3.45 -1.60 -2.65 116.42 120.46 1q3r h ASP 320 Ca 0.06 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.43 1q3r h ASP 320 Cb 0.55 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 1q3r h ASP 320 CO 0.04 0.61 -0.06 0.24 -1.57 0.00 0.00 179.24 178.50 1q3r h MET 321 N 0.00 0.89 -0.28 3.56 2.86 -0.66 -1.79 114.93 119.51 1q3r h MET 321 Ca -0.01 -0.32 -0.08 0.00 -2.06 0.00 0.00 59.70 57.23 1q3r h MET 321 Cb 1.29 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.87 1q3r h MET 321 CO 0.08 0.96 -0.18 0.93 1.06 0.00 0.00 176.91 179.76 1q3r h GLU 322 N 0.74 0.51 0.00 1.72 5.08 -1.29 -2.56 114.58 118.78 1q3r h GLU 322 Ca 0.13 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1q3r h GLU 322 Cb 0.60 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1q3r h GLU 322 CO 0.04 0.67 -0.42 1.57 -1.00 0.00 0.00 179.01 179.87 1q3r h LYS 323 N 0.46 0.00 -0.01 2.33 2.10 -1.36 -2.48 116.57 117.61 1q3r h LYS 323 Ca 0.08 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.56 1q3r h LYS 323 Cb 0.57 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.89 1q3r h LYS 323 CO 0.04 0.00 -0.78 -0.07 -2.00 0.00 0.00 179.45 176.64 1q3r h LEU 324 N 0.00 0.10 0.18 7.07 3.38 -1.09 -1.72 115.31 123.22 1q3r h LEU 324 Ca 0.00 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1q3r h LEU 324 Cb 0.88 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1q3r h LEU 324 CO 0.00 0.84 -0.09 0.00 0.09 0.00 0.00 178.44 179.28 1q3r h ALA 325 N 1.15 -0.24 -0.69 1.53 0.00 -1.41 -1.07 119.26 118.54 1q3r h ALA 325 Ca -0.02 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 54.81 1q3r h ALA 325 Cb 1.37 0.09 -0.10 0.00 0.00 0.00 0.00 17.79 19.15 1q3r h ALA 325 CO 0.11 -0.33 0.15 -0.22 0.00 0.00 0.00 179.25 178.96 1q3r h LYS 326 N -0.85 0.25 0.35 0.00 1.63 -1.48 0.27 116.57 116.74 1q3r h LYS 326 Ca -0.02 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.74 1q3r h LYS 326 Cb 0.52 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 1q3r h LYS 326 CO 0.04 0.17 -0.17 0.00 -3.45 0.00 0.00 179.45 176.04 1q3r h ALA 327 N 1.57 -0.47 0.00 5.00 0.00 -1.35 -1.83 119.26 122.18 1q3r h ALA 327 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1q3r h ALA 327 Cb 0.63 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1q3r h ALA 327 CO -0.48 -0.50 0.00 1.79 0.00 0.00 0.00 179.25 180.06 1q3r h THR 328 N -1.01 0.00 0.00 0.00 1.35 -1.13 -3.35 112.91 108.78 1q3r h THR 328 Ca -0.05 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 1q3r h THR 328 Cb 0.50 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 1q3r h THR 328 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1q3r n GLY 329 N 1.12 2.19 3.52 5.82 0.00 0.94 0.26 105.19 119.05 1q3r n GLY 329 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1q3r n GLY 329 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n ALA 330 N -1.58 -1.31 -3.78 4.61 0.00 -1.22 -4.65 120.51 112.58 1q3r n ALA 330 Ca 0.00 -0.36 -0.34 0.00 0.00 0.00 0.00 53.44 52.74 1q3r n ALA 330 Cb 0.00 -1.96 -0.15 0.00 0.00 0.00 0.00 19.45 17.33 1q3r n ALA 330 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1q3r s LYS 331 N -3.40 3.15 -0.06 0.00 1.02 0.08 -4.57 119.74 115.96 1q3r s LYS 331 Ca 0.66 -0.75 -0.30 0.00 0.02 0.00 0.00 55.97 55.60 1q3r s LYS 331 Cb -0.30 -2.70 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 1q3r s LYS 331 CO 0.58 -0.15 1.81 0.42 -0.92 0.00 0.00 175.35 177.09 1q3r s ILE 332 N 1.22 3.35 -0.06 2.17 1.01 -1.26 -4.57 121.20 123.06 1q3r s ILE 332 Ca 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 60.65 61.05 1q3r s ILE 332 Cb -0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.99 1q3r s ILE 332 CO -0.07 -0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.21 1q3r s VAL 333 N 4.78 5.05 -0.12 2.92 1.01 -0.43 -5.03 120.40 128.58 1q3r s VAL 333 Ca 0.81 -0.11 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1q3r s VAL 333 Cb -0.35 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1q3r s VAL 333 CO 0.34 0.49 0.14 0.74 0.00 0.00 0.00 175.10 176.82 1q3r h THR 334 N 3.60 0.39 -3.19 3.92 2.02 -1.94 -3.02 112.91 114.70 1q3r h THR 334 Ca -0.52 -1.31 -0.61 0.00 0.77 0.00 0.00 66.41 64.74 1q3r h THR 334 Cb 1.20 0.76 -0.11 0.00 -1.74 0.00 0.00 68.15 68.27 1q3r h THR 334 CO 0.60 0.13 -0.45 0.20 0.37 0.00 0.00 175.52 176.38 1q3r s ASN 335 N -5.75 6.30 0.28 4.18 0.02 -1.26 -2.72 114.94 115.97 1q3r s ASN 335 Ca -0.07 0.34 -0.03 0.00 -1.02 0.00 0.00 52.86 52.09 1q3r s ASN 335 Cb -0.00 -2.11 0.59 0.00 0.02 0.00 0.00 41.25 39.75 1q3r s ASN 335 CO 0.19 0.20 1.61 0.58 0.02 0.00 0.00 177.10 179.69 1q3r h VAL 336 N 4.56 0.21 -0.85 1.60 2.07 -1.91 0.25 116.25 122.18 1q3r h VAL 336 Ca -0.43 -0.03 0.22 0.00 0.82 0.00 0.00 66.70 67.28 1q3r h VAL 336 Cb 1.17 0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1q3r h VAL 336 CO 0.73 0.02 0.59 0.50 0.02 0.00 0.00 177.57 179.43 1q3r h LYS 337 N 0.08 0.16 -0.09 1.57 3.64 -1.93 0.28 116.57 120.28 1q3r h LYS 337 Ca 0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 1q3r h LYS 337 Cb 0.96 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1q3r h LYS 337 CO -0.77 0.11 0.00 -0.25 -2.27 0.00 0.00 179.45 176.27 1q3r n ASP 338 N -4.38 1.27 -4.75 4.20 8.00 0.89 -4.90 116.55 116.88 1q3r n ASP 338 Ca 0.18 -1.57 -0.41 0.00 0.71 0.00 0.00 54.79 53.70 1q3r n ASP 338 Cb 0.81 -0.06 -0.04 0.00 -0.02 0.00 0.00 41.12 41.82 1q3r n ASP 338 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1q3r s LEU 339 N -1.71 4.49 0.15 0.64 1.98 0.09 -5.02 118.68 119.30 1q3r s LEU 339 Ca 0.34 2.27 0.01 0.00 -2.89 0.00 0.00 54.13 53.86 1q3r s LEU 339 Cb 0.18 -3.62 -0.04 0.00 0.66 0.00 0.00 46.19 43.37 1q3r s LEU 339 CO 0.28 -0.29 -0.01 -0.89 -1.89 0.00 0.00 176.35 173.56 1q3r s THR 340 N -0.54 0.62 0.25 3.68 2.01 -1.26 -4.97 115.64 115.43 1q3r s THR 340 Ca 0.49 -1.96 -0.06 0.00 0.31 0.00 0.00 61.69 60.47 1q3r s THR 340 Cb -0.33 -2.03 0.24 0.00 0.01 0.00 0.00 72.50 70.39 1q3r s THR 340 CO 0.39 -0.55 1.90 -0.65 -0.69 0.00 0.00 174.62 175.02 1q3r h PRO 341 N 2.77 1.26 0.00 4.92 0.11 -1.95 -0.27 132.00 138.82 1q3r h PRO 341 Ca -0.36 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1q3r h PRO 341 Cb 1.20 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1q3r h PRO 341 CO 0.63 0.87 0.00 0.39 -0.21 0.00 0.00 178.00 179.68 1q3r n GLU 342 N -4.36 0.02 0.00 1.05 4.71 -1.26 -0.75 120.64 120.05 1q3r n GLU 342 Ca 0.10 0.36 0.12 0.00 -0.01 0.00 0.00 57.16 57.73 1q3r n GLU 342 Cb 0.06 -1.50 0.14 0.00 -1.01 0.00 0.00 31.44 29.13 1q3r n GLU 342 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1q3r n ASP 343 N -1.41 1.05 -4.78 1.62 10.43 -0.12 -4.80 116.55 118.55 1q3r n ASP 343 Ca 0.01 -0.84 -0.38 0.00 2.57 0.00 0.00 54.79 56.15 1q3r n ASP 343 Cb 0.03 0.45 -0.06 0.00 1.84 0.00 0.00 41.12 43.38 1q3r n ASP 343 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1q3r s LEU 344 N -2.77 4.45 0.49 0.64 1.43 0.07 -0.74 118.68 122.25 1q3r s LEU 344 Ca 0.15 1.76 0.08 0.00 -1.03 0.00 0.00 54.13 55.09 1q3r s LEU 344 Cb 0.18 -3.73 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1q3r s LEU 344 CO 0.67 0.05 0.56 -0.83 0.23 0.00 0.00 176.35 177.02 1q3r s GLY 345 N -1.45 2.01 0.06 -3.19 0.00 0.46 -4.35 107.32 100.87 1q3r s GLY 345 Ca 0.44 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.44 1q3r s GLY 345 CO 0.26 -1.68 -0.22 -0.47 0.00 0.00 0.00 173.10 170.98 1q3r s TYR 346 N -2.55 1.95 -0.19 1.90 5.04 0.14 -0.98 117.35 122.66 1q3r s TYR 346 Ca 0.52 -0.39 -0.09 0.00 -2.44 0.00 0.00 57.07 54.67 1q3r s TYR 346 Cb -0.05 -1.14 0.07 0.00 0.35 0.00 0.00 41.96 41.19 1q3r s TYR 346 CO 0.31 0.14 0.44 0.00 -1.34 0.00 0.00 175.55 175.10 1q3r s ALA 347 N -0.89 -1.17 0.53 3.97 0.00 -1.21 -4.40 121.76 118.60 1q3r s ALA 347 Ca 0.09 1.61 0.22 0.00 0.00 0.00 0.00 51.96 53.88 1q3r s ALA 347 Cb -0.09 -1.11 1.38 0.00 0.00 0.00 0.00 23.12 23.29 1q3r s ALA 347 CO 0.03 -0.44 2.07 1.49 0.00 0.00 0.00 175.76 178.90 1q3r h GLU 348 N 7.47 0.00 -2.15 0.00 4.81 -0.42 -2.89 114.58 121.40 1q3r h GLU 348 Ca -0.29 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 1q3r h GLU 348 Cb 1.16 0.00 -0.22 0.00 0.63 0.00 0.00 28.75 30.32 1q3r h GLU 348 CO 0.22 0.00 0.03 0.08 -0.73 0.00 0.00 179.01 178.62 1q3r s VAL 349 N -4.99 -0.00 -0.06 0.32 1.01 -0.80 -3.92 120.40 111.96 1q3r s VAL 349 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.93 1q3r s VAL 349 Cb 0.18 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.67 1q3r s VAL 349 CO 0.68 0.00 -0.01 -0.69 0.00 0.00 0.00 175.10 175.09 1q3r s VAL 350 N 0.60 0.36 -0.10 2.92 1.01 -0.66 -1.18 120.40 123.34 1q3r s VAL 350 Ca -0.02 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.77 1q3r s VAL 350 Cb -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 36.38 35.91 1q3r s VAL 350 CO -0.03 0.23 0.64 -1.83 0.00 0.00 0.00 175.10 174.12 1q3r s GLU 351 N 1.62 0.95 0.64 2.72 -1.05 -0.32 -0.92 118.70 122.34 1q3r s GLU 351 Ca -0.00 0.40 -0.14 0.00 -0.15 0.00 0.00 54.97 55.08 1q3r s GLU 351 Cb -0.13 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 34.00 1q3r s GLU 351 CO -0.04 -0.25 1.06 -2.00 0.95 0.00 0.00 175.26 174.98 1q3r s GLU 352 N -0.78 3.12 -0.21 -4.83 2.12 -0.48 -0.86 118.70 116.79 1q3r s GLU 352 Ca -0.08 1.11 -0.28 0.00 0.36 0.00 0.00 54.97 56.08 1q3r s GLU 352 Cb -0.02 -2.01 0.12 0.00 0.26 0.00 0.00 34.13 32.48 1q3r s GLU 352 CO 0.07 -0.96 0.97 1.03 -0.54 0.00 0.00 175.26 175.83 1q3r s ARG 353 N -4.47 0.61 -0.08 4.30 0.52 0.20 -4.88 118.95 115.14 1q3r s ARG 353 Ca 0.61 0.40 -0.14 0.00 -0.52 0.00 0.00 55.73 56.08 1q3r s ARG 353 Cb -0.15 0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.56 1q3r s ARG 353 CO 0.44 -0.14 0.36 0.15 0.02 0.00 0.00 175.30 176.14 1q3r s LYS 354 N -0.44 4.07 -0.19 3.54 1.02 -1.26 0.77 119.74 127.25 1q3r s LYS 354 Ca -0.00 0.28 0.00 0.00 0.02 0.00 0.00 55.97 56.27 1q3r s LYS 354 Cb -0.03 -3.33 0.04 0.00 -0.52 0.00 0.00 37.83 34.00 1q3r s LYS 354 CO -0.01 0.45 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.27 1q3r s LEU 355 N -0.24 2.09 -1.37 3.17 1.02 0.34 -4.67 118.68 119.01 1q3r s LEU 355 Ca 0.21 -0.82 -0.04 0.00 0.02 0.00 0.00 54.13 53.50 1q3r s LEU 355 Cb -0.15 -1.15 0.02 0.00 0.02 0.00 0.00 46.19 44.93 1q3r s LEU 355 CO 0.09 -0.15 0.32 0.00 0.02 0.00 0.00 176.35 176.62 1q3r n ALA 356 N 4.73 -0.89 0.00 4.21 0.00 -1.26 -2.55 120.51 124.75 1q3r n ALA 356 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q3r n ALA 356 Cb 0.47 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.25 1q3r n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 357 N -1.15 2.78 3.74 0.00 0.00 -1.26 -5.05 105.19 104.25 1q3r n GLY 357 Ca -0.11 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.80 1q3r n GLY 357 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1q3r s GLU 358 N 0.00 4.30 1.00 1.61 1.03 -1.06 -4.82 118.70 120.77 1q3r s GLU 358 Ca 0.00 2.23 -0.12 0.00 0.03 0.00 0.00 54.97 57.11 1q3r s GLU 358 Cb 0.00 -3.14 0.19 0.00 -0.80 0.00 0.00 34.13 30.38 1q3r s GLU 358 CO 0.00 -0.38 1.08 -0.80 -1.33 0.00 0.00 175.26 173.83 1q3r s ASN 359 N 0.41 2.46 0.02 0.83 0.01 -1.26 -0.51 114.94 116.91 1q3r s ASN 359 Ca 0.59 1.54 -0.28 0.00 -0.71 0.00 0.00 52.86 54.00 1q3r s ASN 359 Cb -0.40 -2.21 0.10 0.00 0.41 0.00 0.00 41.25 39.14 1q3r s ASN 359 CO 0.41 -3.28 0.96 -0.32 -1.51 0.00 0.00 177.10 173.35 1q3r s MET 360 N -4.75 0.86 -0.12 -0.60 1.75 0.23 -4.62 119.30 112.05 1q3r s MET 360 Ca 0.66 -0.38 0.03 0.00 -1.25 0.00 0.00 55.69 54.75 1q3r s MET 360 Cb -0.21 0.35 0.00 0.00 2.84 0.00 0.00 34.83 37.82 1q3r s MET 360 CO 0.60 -0.38 -0.22 0.42 -0.65 0.00 0.00 175.02 174.78 1q3r s ILE 361 N -3.07 2.11 -0.21 10.11 1.01 -0.42 0.61 121.20 131.34 1q3r s ILE 361 Ca 0.08 -0.98 -0.05 0.00 0.00 0.00 0.00 60.65 59.70 1q3r s ILE 361 Cb -0.01 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 1q3r s ILE 361 CO -0.05 0.55 0.00 -0.36 0.00 0.00 0.00 174.94 175.08 1q3r s PHE 362 N 0.57 3.02 -0.70 3.97 0.40 -0.04 -1.43 117.98 123.77 1q3r s PHE 362 Ca -0.13 -0.58 -0.02 0.00 -0.60 0.00 0.00 56.93 55.60 1q3r s PHE 362 Cb -0.17 -2.12 0.18 0.00 0.51 0.00 0.00 43.02 41.42 1q3r s PHE 362 CO 0.04 -0.35 0.52 0.08 0.70 0.00 0.00 175.22 176.21 1q3r s VAL 363 N 1.25 3.77 0.34 -0.44 1.01 0.15 -1.17 120.40 125.31 1q3r s VAL 363 Ca 0.04 -3.31 0.09 0.00 0.00 0.00 0.00 61.98 58.79 1q3r s VAL 363 Cb -0.15 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1q3r s VAL 363 CO 0.01 -0.94 0.08 -1.83 0.00 0.00 0.00 175.10 172.43 1q3r s GLU 364 N -0.51 2.23 -0.46 2.72 -1.05 -0.33 -0.17 118.70 121.13 1q3r s GLU 364 Ca 0.20 -1.66 -0.01 0.00 -0.15 0.00 0.00 54.97 53.35 1q3r s GLU 364 Cb -0.16 -2.05 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 1q3r s GLU 364 CO -0.06 0.11 0.39 0.41 0.95 0.00 0.00 175.26 177.06 1q3r n GLY 365 N -1.06 0.25 3.90 -3.83 0.00 -1.20 -1.91 105.19 101.33 1q3r n GLY 365 Ca -0.03 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.41 1q3r n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r n LYS 367 N -2.36 0.00 -3.48 0.00 0.00 -1.26 -4.48 118.16 106.58 1q3r n LYS 367 Ca 0.02 0.00 -0.27 0.00 0.00 0.00 0.00 58.31 58.06 1q3r n LYS 367 Cb 0.55 -0.81 -0.09 0.00 0.00 0.00 0.00 35.03 34.68 1q3r n LYS 367 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1q3r n ASN 368 N -0.37 2.90 -4.51 3.14 2.85 -1.26 -5.09 115.26 112.92 1q3r n ASN 368 Ca 0.00 -3.24 -0.39 0.00 -0.11 0.00 0.00 54.58 50.84 1q3r n ASN 368 Cb 0.00 -0.68 0.03 0.00 1.24 0.00 0.00 39.78 40.38 1q3r n ASN 368 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1q3r n PRO 369 N 1.24 0.66 0.00 1.20 -0.04 -1.26 -4.91 135.00 131.89 1q3r n PRO 369 Ca 0.27 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 64.04 1q3r n PRO 369 Cb 0.42 -1.80 0.01 0.00 -0.04 0.00 0.00 33.50 32.09 1q3r n PRO 369 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1q3r n LYS 370 N -0.14 1.73 -3.82 0.54 4.76 -0.69 -4.70 118.16 115.84 1q3r n LYS 370 Ca 0.12 -0.77 -0.12 0.00 -2.87 0.00 0.00 58.31 54.67 1q3r n LYS 370 Cb 0.46 -1.15 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 1q3r n LYS 370 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q3r s ALA 371 N -1.40 -0.27 0.24 7.82 0.00 -1.26 -4.67 121.76 122.22 1q3r s ALA 371 Ca 0.10 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1q3r s ALA 371 Cb 0.09 -0.21 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1q3r s ALA 371 CO 0.26 -0.07 0.07 0.14 0.00 0.00 0.00 175.76 176.17 1q3r s VAL 372 N 0.20 0.63 -0.09 0.00 -7.23 0.13 -4.27 120.40 109.76 1q3r s VAL 372 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1q3r s VAL 372 Cb -0.02 -2.52 0.01 0.00 0.56 0.00 0.00 36.38 34.41 1q3r s VAL 372 CO -0.01 -0.12 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.61 1q3r s THR 373 N -3.70 1.54 -0.47 5.32 2.01 -0.86 -0.82 115.64 118.67 1q3r s THR 373 Ca 0.34 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1q3r s THR 373 Cb 0.07 -1.38 0.08 0.00 0.01 0.00 0.00 72.50 71.28 1q3r s THR 373 CO 0.11 0.45 0.38 -0.63 -0.69 0.00 0.00 174.62 174.24 1q3r s ILE 374 N 0.69 5.01 -0.26 1.82 1.01 0.88 0.13 121.20 130.49 1q3r s ILE 374 Ca -0.13 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.05 1q3r s ILE 374 Cb -0.16 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.28 1q3r s ILE 374 CO 0.03 -0.60 1.04 -0.22 0.00 0.00 0.00 174.94 175.19 1q3r s LEU 375 N 1.59 4.04 -0.18 2.97 0.20 -0.04 -2.26 118.68 125.01 1q3r s LEU 375 Ca 0.04 1.24 -0.08 0.00 0.69 0.00 0.00 54.13 56.02 1q3r s LEU 375 Cb -0.25 -3.51 -0.04 0.00 -0.43 0.00 0.00 46.19 41.95 1q3r s LEU 375 CO 0.05 -0.73 0.10 -0.63 -0.29 0.00 0.00 176.35 174.85 1q3r s ILE 376 N 3.32 5.10 0.21 6.68 1.01 0.12 -1.26 121.20 136.39 1q3r s ILE 376 Ca 0.44 0.08 0.11 0.00 0.00 0.00 0.00 60.65 61.27 1q3r s ILE 376 Cb -0.14 -3.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1q3r s ILE 376 CO 0.09 0.47 -0.21 -0.13 0.00 0.00 0.00 174.94 175.17 1q3r s ARG 377 N 0.20 1.48 -0.11 2.79 1.81 -1.26 -2.26 118.95 121.60 1q3r s ARG 377 Ca 0.07 -1.57 -0.33 0.00 -1.72 0.00 0.00 55.73 52.18 1q3r s ARG 377 Cb -0.12 -1.63 0.13 0.00 -0.45 0.00 0.00 34.95 32.88 1q3r s ARG 377 CO -0.00 0.33 1.17 0.20 -0.68 0.00 0.00 175.30 176.31 1q3r s GLY 378 N -2.95 -0.34 0.51 -3.53 0.00 -0.93 -3.08 107.32 97.00 1q3r s GLY 378 Ca 0.22 1.24 0.26 0.00 0.00 0.00 0.00 44.72 46.44 1q3r s GLY 378 CO 0.10 0.39 2.04 -1.33 0.00 0.00 0.00 173.10 174.30 1q3r h GLY 379 N 2.00 0.00 -2.56 0.20 0.00 -1.77 0.34 103.07 101.28 1q3r h GLY 379 Ca -0.16 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1q3r h GLY 379 CO 0.25 0.00 -0.17 -0.51 0.00 0.00 0.00 176.54 176.11 1q3r s THR 380 N -4.17 0.03 0.12 4.70 -4.23 -1.26 -4.63 115.64 106.20 1q3r s THR 380 Ca -0.03 -1.25 -0.22 0.00 -1.18 0.00 0.00 61.69 59.02 1q3r s THR 380 Cb 0.13 -1.89 -0.06 0.00 1.34 0.00 0.00 72.50 72.02 1q3r s THR 380 CO 0.60 -0.16 1.70 -0.33 -0.54 0.00 0.00 174.62 175.88 1q3r h GLU 381 N 2.37 -0.09 -0.59 3.99 4.39 -1.99 -2.34 114.58 120.32 1q3r h GLU 381 Ca -0.29 0.01 0.05 0.00 0.34 0.00 0.00 59.36 59.46 1q3r h GLU 381 Cb 1.24 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 1q3r h GLU 381 CO 0.42 -0.06 0.39 0.45 -1.16 0.00 0.00 179.01 179.05 1q3r h HIS 382 N -0.09 0.60 0.03 4.33 3.86 -1.97 -1.48 115.15 120.43 1q3r h HIS 382 Ca 0.07 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1q3r h HIS 382 Cb 0.19 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.46 1q3r h HIS 382 CO -0.20 0.33 -0.01 0.28 0.86 0.00 0.00 177.93 179.19 1q3r h VAL 383 N 0.61 1.27 0.00 2.45 2.07 -1.84 -2.14 116.25 118.67 1q3r h VAL 383 Ca 0.25 -0.94 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 1q3r h VAL 383 Cb 0.21 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1q3r h VAL 383 CO -0.07 0.24 -0.14 0.16 0.02 0.00 0.00 177.57 177.78 1q3r h ILE 384 N -0.45 0.64 -0.35 4.57 3.07 -1.26 0.07 117.51 123.81 1q3r h ILE 384 Ca -0.00 -0.61 -0.08 0.00 1.55 0.00 0.00 64.86 65.72 1q3r h ILE 384 Cb 0.42 1.38 -0.01 0.00 -0.27 0.00 0.00 36.82 38.34 1q3r h ILE 384 CO 0.01 0.14 -0.08 0.44 -1.05 0.00 0.00 178.15 177.61 1q3r h ASP 385 N 0.00 0.67 0.30 2.16 5.19 -1.08 0.04 116.42 123.70 1q3r h ASP 385 Ca -0.00 -0.36 -0.18 0.00 -0.62 0.00 0.00 57.03 55.87 1q3r h ASP 385 Cb 0.37 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 1q3r h ASP 385 CO 0.02 0.87 -0.71 -0.33 -3.12 0.00 0.00 179.24 175.97 1q3r h GLU 386 N 0.46 0.35 -0.47 3.56 4.39 -0.74 -2.73 114.58 119.40 1q3r h GLU 386 Ca 0.09 -0.28 -0.02 0.00 0.34 0.00 0.00 59.36 59.48 1q3r h GLU 386 Cb 0.57 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 1q3r h GLU 386 CO 0.03 0.92 0.20 0.28 -1.16 0.00 0.00 179.01 179.29 1q3r h VAL 387 N 0.24 1.20 -0.61 3.13 2.07 -0.85 -1.34 116.25 120.09 1q3r h VAL 387 Ca -0.02 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 66.96 1q3r h VAL 387 Cb 1.27 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1q3r h VAL 387 CO 0.12 0.23 0.28 -0.08 0.02 0.00 0.00 177.57 178.14 1q3r h GLU 388 N 0.62 0.49 -0.47 1.57 4.81 -0.85 0.17 114.58 120.93 1q3r h GLU 388 Ca 0.16 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1q3r h GLU 388 Cb 0.17 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1q3r h GLU 388 CO -0.02 0.33 0.29 0.00 -0.73 0.00 0.00 179.01 178.88 1q3r h ARG 389 N 0.51 0.64 -0.61 1.92 3.08 -1.12 0.79 114.38 119.58 1q3r h ARG 389 Ca 0.29 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.27 1q3r h ARG 389 Cb 0.28 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1q3r h ARG 389 CO -0.24 0.46 0.31 0.00 -1.07 0.00 0.00 179.97 179.43 1q3r h ALA 390 N 1.14 0.78 -0.75 0.04 0.00 -0.48 -1.10 119.26 118.90 1q3r h ALA 390 Ca 0.17 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1q3r h ALA 390 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1q3r h ALA 390 CO -0.03 0.33 0.34 -0.07 0.00 0.00 0.00 179.25 179.81 1q3r h LEU 391 N 0.83 0.99 -0.02 0.00 -0.00 -0.29 0.12 115.31 116.94 1q3r h LEU 391 Ca 0.21 -0.13 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 1q3r h LEU 391 Cb 0.09 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 40.49 1q3r h LEU 391 CO -0.03 0.85 0.01 -0.33 -0.00 0.00 0.00 178.44 178.95 1q3r h GLU 392 N 1.07 0.03 0.48 1.13 5.08 -0.09 -0.24 114.58 122.04 1q3r h GLU 392 Ca 0.26 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1q3r h GLU 392 Cb 0.14 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1q3r h GLU 392 CO -0.03 0.03 -0.23 -0.44 -1.00 0.00 0.00 179.01 177.34 1q3r h ASP 393 N 0.02 -0.55 -0.71 1.42 3.32 -0.93 -2.17 116.42 116.83 1q3r h ASP 393 Ca 0.01 0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.19 1q3r h ASP 393 Cb 0.01 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 39.57 1q3r h ASP 393 CO -0.00 -0.37 -0.27 0.00 -1.72 0.00 0.00 179.24 176.87 1q3r h ALA 394 N -0.16 0.23 -0.87 3.45 0.00 -0.82 0.11 119.26 121.20 1q3r h ALA 394 Ca -0.07 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.11 1q3r h ALA 394 Cb 0.51 0.71 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 1q3r h ALA 394 CO 0.11 -0.55 0.56 0.28 0.00 0.00 0.00 179.25 179.66 1q3r h VAL 395 N -0.07 1.17 -0.04 0.00 2.07 -0.93 -1.53 116.25 116.92 1q3r h VAL 395 Ca 0.30 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.30 1q3r h VAL 395 Cb 0.56 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1q3r h VAL 395 CO -0.76 0.20 -0.61 0.50 0.02 0.00 0.00 177.57 176.93 1q3r h LYS 396 N 1.12 0.14 -0.31 1.57 3.64 -0.25 -0.95 116.57 121.52 1q3r h LYS 396 Ca 0.34 -0.09 -0.16 0.00 -1.27 0.00 0.00 60.65 59.47 1q3r h LYS 396 Cb -0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1q3r h LYS 396 CO -0.10 0.70 -0.43 0.28 -2.27 0.00 0.00 179.45 177.63 1q3r h VAL 397 N 0.10 1.29 -0.29 2.00 2.07 -0.57 -0.19 116.25 120.66 1q3r h VAL 397 Ca -0.01 -1.61 -0.09 0.00 0.82 0.00 0.00 66.70 65.81 1q3r h VAL 397 Cb 1.10 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1q3r h VAL 397 CO 0.09 0.52 -0.20 0.58 0.02 0.00 0.00 177.57 178.59 1q3r h VAL 398 N 0.63 1.25 -0.15 2.57 2.07 -1.08 -2.60 116.25 118.95 1q3r h VAL 398 Ca 0.04 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.35 1q3r h VAL 398 Cb 0.99 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1q3r h VAL 398 CO 0.09 0.38 0.00 0.50 0.02 0.00 0.00 177.57 178.57 1q3r h LYS 399 N 0.48 0.26 -0.58 1.57 3.64 -0.82 -2.41 116.57 118.71 1q3r h LYS 399 Ca 0.08 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.49 1q3r h LYS 399 Cb 0.61 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 1q3r h LYS 399 CO 0.04 0.48 -0.13 -0.44 -2.27 0.00 0.00 179.45 177.14 1q3r h ASP 400 N 0.01 -0.50 -0.05 4.20 3.32 -0.72 -1.18 116.42 121.50 1q3r h ASP 400 Ca 0.04 0.17 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1q3r h ASP 400 Cb 0.36 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 1q3r h ASP 400 CO 0.01 -0.18 -0.34 0.58 -1.72 0.00 0.00 179.24 177.59 1q3r h VAL 401 N 0.01 1.29 0.00 -1.35 2.07 -1.40 0.24 116.25 117.11 1q3r h VAL 401 Ca 0.28 -1.45 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 1q3r h VAL 401 Cb 0.43 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1q3r h VAL 401 CO -0.58 0.46 -0.32 0.24 0.02 0.00 0.00 177.57 177.39 1q3r h MET 402 N 0.46 0.00 0.07 1.57 2.86 -0.82 0.34 114.93 119.40 1q3r h MET 402 Ca 0.05 0.00 -0.35 0.00 -2.06 0.00 0.00 59.70 57.34 1q3r h MET 402 Cb 0.81 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.43 1q3r h MET 402 CO 0.07 0.32 -2.02 0.39 1.06 0.00 0.00 176.91 176.72 1q3r n GLU 403 N -3.52 0.71 0.03 1.72 1.02 -0.52 -4.24 120.64 115.84 1q3r n GLU 403 Ca -0.00 0.24 -0.22 0.00 -0.02 0.00 0.00 57.16 57.15 1q3r n GLU 403 Cb 0.47 -1.69 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 1q3r n GLU 403 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1q3r h ASP 404 N 0.04 0.48 -0.57 1.62 3.45 -0.54 -3.45 116.42 117.45 1q3r h ASP 404 Ca -0.42 -0.90 -0.17 0.00 0.43 0.00 0.00 57.03 55.97 1q3r h ASP 404 Cb 2.03 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 40.59 1q3r h ASP 404 CO 0.06 1.74 -0.16 0.61 -1.57 0.00 0.00 179.24 179.91 1q3r n GLY 405 N 1.84 0.78 2.99 2.75 0.00 0.12 -5.01 105.19 108.67 1q3r n GLY 405 Ca -0.27 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1q3r n GLY 405 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r s ALA 406 N -2.33 0.39 0.05 4.61 0.00 -1.26 -1.03 121.76 122.20 1q3r s ALA 406 Ca 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 51.96 51.43 1q3r s ALA 406 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 1q3r s ALA 406 CO 0.00 0.00 0.09 0.54 0.00 0.00 0.00 175.76 176.39 1q3r s VAL 407 N -0.83 0.15 0.16 0.00 0.11 -0.39 -2.91 120.40 116.69 1q3r s VAL 407 Ca -0.06 -1.25 0.04 0.00 -2.93 0.00 0.00 61.98 57.78 1q3r s VAL 407 Cb -0.06 -1.11 -0.05 0.00 -1.53 0.00 0.00 36.38 33.63 1q3r s VAL 407 CO -0.00 -0.69 -0.08 -0.76 -3.33 0.00 0.00 175.10 170.24 1q3r s LEU 408 N -2.43 2.46 0.63 2.54 1.43 0.21 0.01 118.68 123.52 1q3r s LEU 408 Ca -0.01 -1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 51.92 1q3r s LEU 408 Cb 0.02 -0.32 -0.03 0.00 0.03 0.00 0.00 46.19 45.89 1q3r s LEU 408 CO -0.07 -0.37 1.04 -2.16 0.23 0.00 0.00 176.35 175.01 1q3r s PRO 409 N -3.77 3.39 0.00 1.29 0.04 -1.26 -0.57 135.00 134.11 1q3r s PRO 409 Ca 0.19 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.14 1q3r s PRO 409 Cb 0.03 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1q3r s PRO 409 CO 0.02 -0.73 0.00 0.00 0.04 0.00 0.00 177.00 176.33 1q3r n ALA 410 N -2.60 0.00 -2.12 8.56 0.00 -0.75 -4.18 120.51 119.42 1q3r n ALA 410 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.34 1q3r n ALA 410 Cb 0.54 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1q3r n ALA 410 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 411 N 5.00 0.16 2.68 0.00 0.00 -1.26 -0.87 105.19 110.89 1q3r n GLY 411 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q3r n GLY 411 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3r n GLY 412 N -0.72 0.73 0.11 -0.02 0.00 -1.26 0.52 105.19 104.55 1q3r n GLY 412 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 1q3r n GLY 412 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3r h ALA 413 N 0.00 -0.06 -0.95 4.61 0.00 -1.20 -0.08 119.26 121.58 1q3r h ALA 413 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1q3r h ALA 413 Cb 0.04 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 1q3r h ALA 413 CO 0.00 -0.55 0.60 -1.35 0.00 0.00 0.00 179.25 177.95 1q3r h PRO 414 N -0.11 1.27 -0.20 0.00 0.11 -1.77 0.89 132.00 132.19 1q3r h PRO 414 Ca 0.03 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 65.94 1q3r h PRO 414 Cb 0.14 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 1q3r h PRO 414 CO -0.07 0.86 -0.35 0.93 -0.21 0.00 0.00 178.00 179.16 1q3r h GLU 415 N 1.30 0.41 -0.12 1.05 3.07 -1.83 0.25 114.58 118.70 1q3r h GLU 415 Ca 0.34 -0.18 -0.18 0.00 -0.50 0.00 0.00 59.36 58.85 1q3r h GLU 415 Cb -0.10 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 27.79 1q3r h GLU 415 CO -0.07 0.71 -0.66 0.82 -1.40 0.00 0.00 179.01 178.41 1q3r h ILE 416 N 0.35 1.35 0.20 3.13 2.04 -0.33 0.25 117.51 124.50 1q3r h ILE 416 Ca 0.04 -1.99 -0.01 0.00 1.00 0.00 0.00 64.86 63.90 1q3r h ILE 416 Cb 0.78 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 1q3r h ILE 416 CO 0.06 0.61 -0.10 -0.08 0.00 0.00 0.00 178.15 178.64 1q3r h GLU 417 N 0.35 -0.26 -0.51 2.37 4.57 -0.46 -1.72 114.58 118.91 1q3r h GLU 417 Ca -0.02 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 1q3r h GLU 417 Cb 1.23 0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.82 1q3r h GLU 417 CO 0.12 -0.01 0.19 -0.07 -1.18 0.00 0.00 179.01 178.06 1q3r h LEU 418 N -0.49 0.21 -0.67 1.64 4.07 -0.41 -2.23 115.31 117.42 1q3r h LEU 418 Ca -0.03 0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.03 1q3r h LEU 418 Cb 0.37 0.04 -0.05 0.00 1.08 0.00 0.00 40.66 42.10 1q3r h LEU 418 CO 0.05 0.14 0.41 0.00 -1.08 0.00 0.00 178.44 177.96 1q3r h ALA 419 N 1.33 0.89 0.09 1.53 0.00 -0.39 0.70 119.26 123.41 1q3r h ALA 419 Ca 0.24 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1q3r h ALA 419 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1q3r h ALA 419 CO -0.24 0.15 -0.04 0.82 0.00 0.00 0.00 179.25 179.94 1q3r h ILE 420 N 0.79 0.00 -0.31 0.00 2.04 -0.74 -2.89 117.51 116.40 1q3r h ILE 420 Ca 0.28 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.21 1q3r h ILE 420 Cb 0.07 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.06 1q3r h ILE 420 CO -0.13 0.00 -0.32 0.03 0.00 0.00 0.00 178.15 177.73 1q3r h ARG 421 N -0.12 -0.29 -0.86 2.37 3.08 -1.42 -1.78 114.38 115.36 1q3r h ARG 421 Ca -0.01 0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.22 1q3r h ARG 421 Cb 0.09 0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.14 1q3r h ARG 421 CO 0.02 -0.19 0.56 -0.07 -1.07 0.00 0.00 179.97 179.22 1q3r h LEU 422 N -0.30 0.51 -1.29 3.04 3.38 -0.97 0.26 115.31 119.94 1q3r h LEU 422 Ca 0.15 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 1q3r h LEU 422 Cb 0.54 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1q3r h LEU 422 CO -0.47 0.24 -0.29 -0.78 0.09 0.00 0.00 178.44 177.23 1q3r h ASP 423 N 0.53 0.10 0.93 -0.43 1.82 -1.10 -0.83 116.42 117.43 1q3r h ASP 423 Ca 0.44 -0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.85 1q3r h ASP 423 Cb 0.90 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.86 1q3r h ASP 423 CO -0.18 0.39 -0.96 -0.08 -1.61 0.00 0.00 179.24 176.80 1q3r h GLU 424 N 0.09 0.02 -0.29 0.28 4.81 -0.30 -3.04 114.58 116.14 1q3r h GLU 424 Ca 0.01 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1q3r h GLU 424 Cb 0.56 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 1q3r h GLU 424 CO 0.04 0.97 -0.30 -0.92 -0.73 0.00 0.00 179.01 178.06 1q3r h TYR 425 N 0.01 0.71 0.65 0.92 3.20 -0.09 -2.88 116.97 119.49 1q3r h TYR 425 Ca -0.02 -0.18 -0.02 0.00 3.14 0.00 0.00 58.73 61.65 1q3r h TYR 425 Cb 1.69 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.79 1q3r h TYR 425 CO 0.00 0.85 -0.47 0.00 -1.64 0.00 0.00 178.16 176.90 1q3r h ALA 426 N 1.14 -1.15 -1.32 1.82 0.00 -1.08 -0.98 119.26 117.69 1q3r h ALA 426 Ca 0.06 -0.21 0.40 0.00 0.00 0.00 0.00 54.91 55.16 1q3r h ALA 426 Cb 0.79 0.62 -0.10 0.00 0.00 0.00 0.00 17.79 19.10 1q3r h ALA 426 CO 0.06 -1.17 0.89 0.87 0.00 0.00 0.00 179.25 179.90 1q3r h LYS 427 N -1.08 0.12 0.28 0.00 1.79 -1.45 0.19 116.57 116.44 1q3r h LYS 427 Ca -0.08 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.37 1q3r h LYS 427 Cb 0.89 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 1q3r h LYS 427 CO 0.04 0.08 -0.14 1.96 -1.08 0.00 0.00 179.45 180.31 1q3r h GLN 428 N 0.13 -0.36 -0.18 3.15 4.20 -0.98 -3.30 115.11 117.76 1q3r h GLN 428 Ca 0.74 0.02 -0.15 0.00 0.06 0.00 0.00 58.65 59.32 1q3r h GLN 428 Cb 2.44 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 30.30 1q3r h GLN 428 CO -0.26 -0.02 -0.53 -0.39 -0.67 0.00 0.00 178.83 176.96 1q3r h VAL 429 N -0.82 1.33 -2.02 -0.54 -1.51 -0.50 -3.49 116.25 108.69 1q3r h VAL 429 Ca -0.04 -1.78 0.06 0.00 -1.23 0.00 0.00 66.70 63.71 1q3r h VAL 429 Cb 0.51 1.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.42 1q3r h VAL 429 CO 0.06 0.55 -0.07 0.61 -1.23 0.00 0.00 177.57 177.49 1q3r n GLY 430 N 0.20 -0.98 7.00 5.19 0.00 0.54 -4.87 105.19 112.27 1q3r n GLY 430 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 1q3r n GLY 430 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3r n GLY 431 N -0.60 -0.68 0.07 -0.02 0.00 -1.26 -2.73 105.19 99.96 1q3r n GLY 431 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 46.02 44.79 1q3r n GLY 431 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q3r h LYS 432 N 0.00 0.02 -0.45 1.61 1.57 -1.99 -3.12 116.57 114.21 1q3r h LYS 432 Ca 0.00 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1q3r h LYS 432 Cb 0.00 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1q3r h LYS 432 CO 0.00 0.90 0.31 0.93 -0.57 0.00 0.00 179.45 181.02 1q3r h GLU 433 N 0.01 0.32 -0.57 3.15 3.07 -1.85 0.85 114.58 119.55 1q3r h GLU 433 Ca -0.08 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.78 1q3r h GLU 433 Cb 1.84 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.65 1q3r h GLU 433 CO 0.12 0.21 0.38 0.00 -1.40 0.00 0.00 179.01 178.32 1q3r h ALA 434 N 1.76 1.69 -0.20 3.43 0.00 -1.44 0.25 119.26 124.74 1q3r h ALA 434 Ca 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 1q3r h ALA 434 Cb 0.37 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1q3r h ALA 434 CO -0.05 0.25 -0.06 -0.07 0.00 0.00 0.00 179.25 179.33 1q3r h LEU 435 N 0.68 0.40 -0.80 0.00 3.38 -0.94 -0.32 115.31 117.72 1q3r h LEU 435 Ca 0.23 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 1q3r h LEU 435 Cb 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1q3r h LEU 435 CO -0.06 0.68 0.26 0.00 0.09 0.00 0.00 178.44 179.42 1q3r h ALA 436 N 0.73 1.03 -0.36 1.53 0.00 -1.08 -1.37 119.26 119.75 1q3r h ALA 436 Ca 0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1q3r h ALA 436 Cb 0.51 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1q3r h ALA 436 CO 0.02 0.66 -0.17 0.82 0.00 0.00 0.00 179.25 180.59 1q3r h ILE 437 N 1.12 1.28 0.00 0.00 2.04 -0.43 -1.81 117.51 119.72 1q3r h ILE 437 Ca 0.25 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.82 1q3r h ILE 437 Cb 0.27 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.71 1q3r h ILE 437 CO -0.01 0.42 -0.03 1.05 0.00 0.00 0.00 178.15 179.58 1q3r h GLU 438 N 0.53 0.00 0.10 2.37 4.11 -0.87 -2.06 114.58 118.75 1q3r h GLU 438 Ca 0.08 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.25 1q3r h GLU 438 Cb 0.71 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 1q3r h GLU 438 CO 0.05 0.03 -1.22 -0.91 0.07 0.00 0.00 179.01 177.03 1q3r h ASN 439 N 0.00 0.33 -0.57 3.06 -0.26 -1.01 -1.94 115.58 115.19 1q3r h ASN 439 Ca -0.00 -0.36 -0.05 0.00 -0.56 0.00 0.00 56.30 55.32 1q3r h ASN 439 Cb 0.52 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1q3r h ASN 439 CO 0.00 1.29 0.15 0.15 -1.06 0.00 0.00 177.43 177.96 1q3r h PHE 440 N 0.06 0.96 -0.53 1.19 3.57 -0.95 0.28 116.94 121.51 1q3r h PHE 440 Ca -0.12 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.22 1q3r h PHE 440 Cb 1.94 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 1q3r h PHE 440 CO 0.05 0.82 0.13 0.00 -2.23 0.00 0.00 178.31 177.08 1q3r h ALA 441 N 1.03 0.70 0.22 2.41 0.00 -1.37 -2.33 119.26 119.91 1q3r h ALA 441 Ca 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1q3r h ALA 441 Cb 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1q3r h ALA 441 CO 0.00 0.40 -0.11 0.22 0.00 0.00 0.00 179.25 179.76 1q3r h ASP 442 N 0.74 -0.25 -1.04 0.00 3.58 -0.93 -2.78 116.42 115.73 1q3r h ASP 442 Ca 0.17 -0.11 0.28 0.00 0.42 0.00 0.00 57.03 57.79 1q3r h ASP 442 Cb 0.34 0.06 -0.12 0.00 1.72 0.00 0.00 39.33 41.33 1q3r h ASP 442 CO 0.00 -0.04 0.63 0.00 -2.88 0.00 0.00 179.24 176.95 1q3r h ALA 443 N 0.29 2.03 0.00 -0.78 0.00 -0.32 0.11 119.26 120.58 1q3r h ALA 443 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q3r h ALA 443 Cb 0.34 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1q3r h ALA 443 CO 0.05 -0.52 0.09 -0.07 0.00 0.00 0.00 179.25 178.80 1q3r h LEU 444 N 0.43 0.00 0.00 0.00 3.38 -1.12 -2.64 115.31 115.36 1q3r h LEU 444 Ca 0.66 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.63 1q3r h LEU 444 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1q3r h LEU 444 CO -0.45 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.37 1q3r n LYS 445 N -2.54 0.96 0.03 1.13 5.02 0.02 -3.55 118.16 119.23 1q3r n LYS 445 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1q3r n LYS 445 Cb 0.13 -1.45 0.31 0.00 -0.02 0.00 0.00 35.03 34.01 1q3r n LYS 445 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 1q3r h ILE 446 N 0.00 1.20 0.38 -0.18 -0.00 -1.69 -0.63 117.51 116.59 1q3r h ILE 446 Ca 0.00 -0.83 -0.01 0.00 -0.00 0.00 0.00 64.86 64.02 1q3r h ILE 446 Cb 0.00 1.06 -0.01 0.00 -0.00 0.00 0.00 36.82 37.87 1q3r h ILE 446 CO 0.00 0.27 -0.30 0.40 -0.00 0.00 0.00 178.15 178.52 1q3r h ILE 447 N 0.42 0.00 -0.54 0.16 1.08 -1.84 1.69 117.51 118.48 1q3r h ILE 447 Ca 0.09 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.56 1q3r h ILE 447 Cb 0.37 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 1q3r h ILE 447 CO 0.02 0.00 0.33 1.55 -0.69 0.00 0.00 178.15 179.36 1q3r h PRO 448 N -0.66 0.72 -0.26 2.37 0.13 -1.79 -1.00 132.00 131.51 1q3r h PRO 448 Ca -0.05 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1q3r h PRO 448 Cb 0.55 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 1q3r h PRO 448 CO 0.00 0.50 0.15 -0.22 -0.23 0.00 0.00 178.00 178.20 1q3r h LYS 449 N 0.73 0.35 -0.22 0.86 3.64 -0.62 -2.52 116.57 118.80 1q3r h LYS 449 Ca 0.19 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.45 1q3r h LYS 449 Cb -0.04 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1q3r h LYS 449 CO -0.04 0.30 -0.22 1.15 -2.27 0.00 0.00 179.45 178.37 1q3r h THR 450 N 0.31 1.25 -0.25 1.00 2.02 0.30 0.19 112.91 117.73 1q3r h THR 450 Ca 0.09 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 1q3r h THR 450 Cb 0.04 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1q3r h THR 450 CO -0.02 0.36 0.14 -0.07 0.37 0.00 0.00 175.52 176.31 1q3r h LEU 451 N 0.36 0.31 -0.52 2.58 3.38 -0.99 0.11 115.31 120.53 1q3r h LEU 451 Ca 0.06 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1q3r h LEU 451 Cb 0.59 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1q3r h LEU 451 CO 0.04 0.29 -0.13 0.00 0.09 0.00 0.00 178.44 178.73 1q3r h ALA 452 N 1.03 0.72 -0.58 1.53 0.00 -1.14 -2.56 119.26 118.26 1q3r h ALA 452 Ca 0.09 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1q3r h ALA 452 Cb 0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1q3r h ALA 452 CO -0.02 0.65 0.33 1.49 0.00 0.00 0.00 179.25 181.71 1q3r h GLU 453 N 0.88 0.80 0.00 0.00 4.81 -0.14 -0.37 114.58 120.57 1q3r h GLU 453 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1q3r h GLU 453 Cb 0.70 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1q3r h GLU 453 CO 0.05 0.60 0.00 -0.91 -0.73 0.00 0.00 179.01 178.02 1q3r h ASN 454 N 0.79 0.00 0.11 1.04 2.35 -0.73 -2.51 115.58 116.64 1q3r h ASN 454 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1q3r h ASN 454 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1q3r h ASN 454 CO -0.04 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.57 1q3r n ALA 455 N -1.96 2.90 -1.00 -0.83 0.00 -0.75 -4.68 120.51 114.20 1q3r n ALA 455 Ca 0.02 -0.45 -0.00 0.00 0.00 0.00 0.00 53.44 53.01 1q3r n ALA 455 Cb 0.32 -1.10 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1q3r n ALA 455 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3r n GLY 456 N 1.29 0.44 3.91 0.00 0.00 -0.78 -5.04 105.19 105.01 1q3r n GLY 456 Ca 0.14 -0.52 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1q3r n GLY 456 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1q3r s LEU 457 N -0.00 3.62 -0.55 0.99 1.43 -0.22 -4.99 118.68 118.96 1q3r s LEU 457 Ca 0.00 0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 53.74 1q3r s LEU 457 Cb 0.00 -3.86 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 1q3r s LEU 457 CO 0.00 -0.59 1.67 -0.62 0.23 0.00 0.00 176.35 177.04 1q3r s ASP 458 N -4.11 5.71 0.18 2.29 -1.08 -1.26 -4.43 116.67 113.97 1q3r s ASP 458 Ca 0.47 0.45 -0.21 0.00 -0.52 0.00 0.00 52.55 52.74 1q3r s ASP 458 Cb -0.10 -2.54 0.11 0.00 -1.46 0.00 0.00 42.92 38.93 1q3r s ASP 458 CO 0.45 -2.01 1.60 0.74 0.52 0.00 0.00 175.17 176.46 1q3r h THR 459 N 6.66 0.22 -0.46 1.71 2.02 -1.89 -0.42 112.91 120.73 1q3r h THR 459 Ca -0.28 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.94 1q3r h THR 459 Cb 1.13 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1q3r h THR 459 CO 1.18 0.00 0.24 0.58 0.37 0.00 0.00 175.52 177.89 1q3r h VAL 460 N -0.18 0.98 -0.02 3.16 2.07 -1.97 -1.50 116.25 118.78 1q3r h VAL 460 Ca 0.21 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.55 1q3r h VAL 460 Cb 0.54 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1q3r h VAL 460 CO -0.62 0.09 -0.07 -0.33 0.02 0.00 0.00 177.57 176.66 1q3r h GLU 461 N 0.48 0.09 -0.51 1.57 5.08 -1.90 -2.78 114.58 116.60 1q3r h GLU 461 Ca 0.20 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1q3r h GLU 461 Cb 0.09 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1q3r h GLU 461 CO -0.13 0.68 0.02 0.52 -1.00 0.00 0.00 179.01 179.10 1q3r h MET 462 N -0.49 0.13 -0.84 2.33 2.86 -1.05 0.32 114.93 118.21 1q3r h MET 462 Ca -0.00 -0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 1q3r h MET 462 Cb 0.68 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 32.26 1q3r h MET 462 CO 0.01 0.09 0.54 1.25 1.06 0.00 0.00 176.91 179.87 1q3r h LEU 463 N 0.14 0.73 -0.22 1.22 5.85 -1.30 -0.60 115.31 121.13 1q3r h LEU 463 Ca 0.26 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 1q3r h LEU 463 Cb 0.39 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1q3r h LEU 463 CO -0.41 0.44 -0.28 0.58 -0.34 0.00 0.00 178.44 178.43 1q3r h VAL 464 N 0.81 1.33 -0.66 1.05 2.07 -0.71 -2.76 116.25 117.38 1q3r h VAL 464 Ca 0.38 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.36 1q3r h VAL 464 Cb 0.40 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1q3r h VAL 464 CO -0.15 0.46 0.13 0.11 0.02 0.00 0.00 177.57 178.14 1q3r h LYS 465 N 0.26 1.07 0.24 1.57 6.56 -0.26 -2.23 116.57 123.77 1q3r h LYS 465 Ca 0.03 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.34 1q3r h LYS 465 Cb 0.85 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.38 1q3r h LYS 465 CO 0.07 0.96 -0.11 -0.39 -2.06 0.00 0.00 179.45 177.92 1q3r h VAL 466 N 1.01 0.75 -0.96 0.50 -1.51 -1.18 -0.43 116.25 114.42 1q3r h VAL 466 Ca 0.21 -0.85 0.18 0.00 -1.23 0.00 0.00 66.70 65.00 1q3r h VAL 466 Cb 0.39 1.17 -0.10 0.00 -2.13 0.00 0.00 31.29 30.63 1q3r h VAL 466 CO 0.01 0.16 0.56 0.40 -1.23 0.00 0.00 177.57 177.47 1q3r h ILE 467 N -0.82 0.72 0.66 7.19 2.04 -1.54 1.19 117.51 126.95 1q3r h ILE 467 Ca -0.03 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.54 1q3r h ILE 467 Cb 0.51 -0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1q3r h ILE 467 CO 0.05 0.13 -0.32 -1.28 0.00 0.00 0.00 178.15 176.74 1q3r h SER 468 N 0.73 -0.75 -0.93 1.72 0.87 -1.36 -1.76 113.55 112.07 1q3r h SER 468 Ca 0.55 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 61.16 1q3r h SER 468 Cb 0.82 0.20 -0.05 0.00 -0.44 0.00 0.00 62.40 62.93 1q3r h SER 468 CO -0.38 -0.45 0.61 -0.33 -0.53 0.00 0.00 176.83 175.76 1q3r h GLU 469 N -1.08 1.18 -0.94 2.24 5.08 -0.51 -1.12 114.58 119.43 1q3r h GLU 469 Ca -0.09 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.27 1q3r h GLU 469 Cb 0.68 -0.27 -0.06 0.00 0.50 0.00 0.00 28.75 29.60 1q3r h GLU 469 CO 0.15 0.78 0.61 1.25 -1.00 0.00 0.00 179.01 180.80 1q3r h HIS 470 N 1.21 1.08 0.00 4.33 2.76 0.15 0.37 115.15 125.05 1q3r h HIS 470 Ca 0.35 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.51 1q3r h HIS 470 Cb -0.07 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.53 1q3r h HIS 470 CO -0.00 0.54 -0.21 0.87 -1.30 0.00 0.00 177.93 177.84 1q3r h LYS 471 N 1.04 0.00 0.10 5.26 1.57 -0.28 0.30 116.57 124.56 1q3r h LYS 471 Ca 0.41 0.00 -0.37 0.00 -1.87 0.00 0.00 60.65 58.83 1q3r h LYS 471 Cb 0.25 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1q3r h LYS 471 CO -0.17 0.21 -2.08 0.09 -0.57 0.00 0.00 179.45 176.92 1q3r n ASN 472 N -3.52 2.04 -0.53 0.86 4.13 0.09 -4.49 115.26 113.85 1q3r n ASN 472 Ca -0.01 0.15 0.09 0.00 1.68 0.00 0.00 54.58 56.49 1q3r n ASN 472 Cb 0.36 -0.73 0.03 0.00 -1.54 0.00 0.00 39.78 37.89 1q3r n ASN 472 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1q3r n ARG 473 N -3.42 1.58 0.00 3.52 1.74 0.11 -5.10 116.66 115.10 1q3r n ARG 473 Ca -0.34 -1.13 0.00 0.00 -0.77 0.00 0.00 57.85 55.61 1q3r n ARG 473 Cb 1.04 -1.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.13 1q3r n ARG 473 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q3r n GLY 474 N 1.18 -2.37 0.04 -0.13 0.00 0.10 -4.63 105.19 99.39 1q3r n GLY 474 Ca 0.09 -1.57 -0.01 0.00 0.00 0.00 0.00 46.02 44.52 1q3r n GLY 474 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1q3r n LEU 475 N 0.00 -0.10 -0.11 0.99 7.94 -1.26 -0.64 117.00 123.83 1q3r n LEU 475 Ca 0.00 0.17 0.27 0.00 -1.11 0.00 0.00 56.01 55.33 1q3r n LEU 475 Cb 0.00 -0.02 0.71 0.00 0.53 0.00 0.00 43.42 44.63 1q3r n LEU 475 CO 0.00 -0.14 1.24 1.23 -1.11 0.00 0.00 177.39 178.62 1q3r h GLY 476 N 0.00 0.00 -5.34 -3.96 0.00 -1.94 -3.43 103.07 88.40 1q3r h GLY 476 Ca 0.01 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.80 1q3r h GLY 476 CO -0.09 0.00 1.10 -0.42 0.00 0.00 0.00 176.54 177.13 1q3r s ILE 477 N -4.76 3.58 0.00 2.60 -1.09 0.19 -0.98 121.20 120.73 1q3r s ILE 477 Ca -0.04 0.69 0.00 0.00 -2.23 0.00 0.00 60.65 59.07 1q3r s ILE 477 Cb 0.19 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1q3r s ILE 477 CO 0.65 -0.08 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1q3r n GLY 478 N 4.19 3.85 3.77 6.18 0.00 -0.45 -4.34 105.19 118.39 1q3r n GLY 478 Ca 0.18 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1q3r n GLY 478 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 479 N -2.08 5.33 -0.86 -0.61 1.01 0.18 -1.10 121.20 123.07 1q3r s ILE 479 Ca 0.00 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 60.97 1q3r s ILE 479 Cb 0.00 -3.57 0.22 0.00 0.01 0.00 0.00 42.46 39.12 1q3r s ILE 479 CO 0.00 0.46 0.81 -0.62 0.00 0.00 0.00 174.94 175.59 1q3r s ASP 480 N 0.01 6.81 0.35 3.58 2.15 -0.20 -4.60 116.67 124.77 1q3r s ASP 480 Ca 0.16 -2.75 0.08 0.00 0.43 0.00 0.00 52.55 50.46 1q3r s ASP 480 Cb -0.13 -2.22 0.80 0.00 -0.30 0.00 0.00 42.92 41.08 1q3r s ASP 480 CO 0.04 -0.56 1.88 -0.37 -0.17 0.00 0.00 175.17 175.99 1q3r h VAL 481 N 4.71 0.86 0.00 1.11 -1.51 -1.93 0.39 116.25 119.88 1q3r h VAL 481 Ca 0.12 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1q3r h VAL 481 Cb 1.03 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.28 1q3r h VAL 481 CO 0.78 0.13 0.00 0.49 -1.23 0.00 0.00 177.57 177.74 1q3r n PHE 482 N -4.55 0.55 -0.06 5.19 3.72 -1.26 -2.77 117.46 118.27 1q3r n PHE 482 Ca 0.16 0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.78 1q3r n PHE 482 Cb 0.43 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.13 1q3r n PHE 482 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1q3r n GLU 483 N -2.00 0.25 -4.10 -1.08 -0.58 -0.18 -5.00 120.64 107.95 1q3r n GLU 483 Ca 0.03 -0.77 -0.34 0.00 -0.42 0.00 0.00 57.16 55.66 1q3r n GLU 483 Cb 0.21 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 30.11 1q3r n GLU 483 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q3r n GLY 484 N -0.15 -0.46 3.34 0.62 0.00 -0.05 -4.94 105.19 103.56 1q3r n GLY 484 Ca 0.00 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1q3r n GLY 484 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1q3r s LYS 485 N -6.80 0.81 1.12 1.61 2.20 -1.16 -5.02 119.74 112.50 1q3r s LYS 485 Ca 0.69 -0.01 -0.13 0.00 -0.36 0.00 0.00 55.97 56.16 1q3r s LYS 485 Cb -0.37 0.37 0.26 0.00 -1.51 0.00 0.00 37.83 36.58 1q3r s LYS 485 CO 0.89 -0.24 1.05 -2.14 -0.36 0.00 0.00 175.35 174.55 1q3r s PRO 486 N -1.25 -0.57 -0.11 4.03 0.02 -1.26 -1.03 135.00 134.82 1q3r s PRO 486 Ca -0.12 0.78 -0.33 0.00 0.02 0.00 0.00 61.00 61.34 1q3r s PRO 486 Cb -0.03 -1.60 0.13 0.00 0.02 0.00 0.00 34.50 33.02 1q3r s PRO 486 CO 0.06 -3.47 1.24 0.00 -0.33 0.00 0.00 177.00 174.50 1q3r s ALA 487 N -2.59 -2.14 -0.67 -1.55 0.00 -0.25 -4.61 121.76 109.94 1q3r s ALA 487 Ca 0.68 1.20 -0.25 0.00 0.00 0.00 0.00 51.96 53.58 1q3r s ALA 487 Cb -0.23 0.09 0.04 0.00 0.00 0.00 0.00 23.12 23.02 1q3r s ALA 487 CO 0.63 -0.80 1.12 0.34 0.00 0.00 0.00 175.76 177.05 1q3r s ASP 488 N -2.53 6.22 0.34 0.00 3.68 -1.26 -1.34 116.67 121.78 1q3r s ASP 488 Ca 0.11 -0.55 0.04 0.00 2.13 0.00 0.00 52.55 54.28 1q3r s ASP 488 Cb 0.02 -2.49 0.65 0.00 -1.45 0.00 0.00 42.92 39.64 1q3r s ASP 488 CO -0.04 -1.58 1.95 0.24 0.13 0.00 0.00 175.17 175.88 1q3r h MET 489 N 9.72 0.84 -0.62 4.34 2.86 -1.39 -2.06 114.93 128.62 1q3r h MET 489 Ca -0.28 -0.05 -0.07 0.00 -2.06 0.00 0.00 59.70 57.25 1q3r h MET 489 Cb 1.06 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1q3r h MET 489 CO 1.21 0.55 0.12 -0.07 1.06 0.00 0.00 176.91 179.78 1q3r h LEU 490 N 0.86 0.95 -0.54 1.22 -0.00 -1.80 -1.50 115.31 114.50 1q3r h LEU 490 Ca 0.32 -0.20 -0.08 0.00 -0.00 0.00 0.00 57.88 57.92 1q3r h LEU 490 Cb 0.17 -0.25 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 1q3r h LEU 490 CO -0.10 0.93 0.04 -0.33 -0.00 0.00 0.00 178.44 178.98 1q3r h GLU 491 N 0.94 0.92 -0.04 1.13 5.08 -1.76 -2.95 114.58 117.90 1q3r h GLU 491 Ca 0.19 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1q3r h GLU 491 Cb 0.38 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1q3r h GLU 491 CO 0.01 0.92 0.00 1.63 -1.00 0.00 0.00 179.01 180.56 1q3r n LYS 492 N -4.32 1.22 -0.92 2.33 5.02 -0.93 -4.90 118.16 115.67 1q3r n LYS 492 Ca 0.02 -0.33 0.00 0.00 -2.02 0.00 0.00 58.31 55.97 1q3r n LYS 492 Cb 0.30 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1q3r n LYS 492 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1q3r n GLY 493 N 0.95 0.68 3.57 0.72 0.00 -0.80 -4.92 105.19 105.38 1q3r n GLY 493 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1q3r n GLY 493 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3r s ILE 494 N -2.93 3.63 0.13 -0.61 1.01 -0.63 -4.73 121.20 117.07 1q3r s ILE 494 Ca 0.00 -0.84 0.08 0.00 0.00 0.00 0.00 60.65 59.89 1q3r s ILE 494 Cb 0.00 -4.52 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 1q3r s ILE 494 CO 0.00 -1.23 -0.18 -0.51 0.00 0.00 0.00 174.94 173.01 1q3r s ILE 495 N 9.03 1.66 0.06 2.92 1.10 -1.26 -1.81 121.20 132.90 1q3r s ILE 495 Ca 0.64 -1.69 -0.05 0.00 -0.51 0.00 0.00 60.65 59.05 1q3r s ILE 495 Cb -0.02 -1.62 -0.02 0.00 0.15 0.00 0.00 42.46 40.95 1q3r s ILE 495 CO 0.05 -0.21 0.07 -1.83 -2.11 0.00 0.00 174.94 170.90 1q3r s GLU 496 N -2.32 0.70 0.59 3.50 -1.05 0.26 -4.43 118.70 115.94 1q3r s GLU 496 Ca 0.09 -1.07 -0.20 0.00 -0.15 0.00 0.00 54.97 53.65 1q3r s GLU 496 Cb -0.08 0.26 -0.03 0.00 -0.44 0.00 0.00 34.13 33.84 1q3r s GLU 496 CO 0.05 -0.18 1.28 -2.14 0.95 0.00 0.00 175.26 175.22 1q3r s PRO 497 N -3.76 2.93 0.17 -4.83 0.02 -1.26 0.67 135.00 128.94 1q3r s PRO 497 Ca 0.05 2.04 -0.10 0.00 0.02 0.00 0.00 61.00 63.00 1q3r s PRO 497 Cb 0.06 -2.03 0.06 0.00 0.02 0.00 0.00 34.50 32.60 1q3r s PRO 497 CO -0.10 -1.30 1.65 1.25 -0.33 0.00 0.00 177.00 178.17 1q3r h LEU 498 N 1.02 0.98 -1.07 -5.54 6.46 -1.83 -2.89 115.31 112.44 1q3r h LEU 498 Ca -0.51 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.05 1q3r h LEU 498 Cb 1.31 -0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 40.91 1q3r h LEU 498 CO 0.55 1.02 0.62 -0.09 -0.62 0.00 0.00 178.44 179.92 1q3r h ARG 499 N 0.90 1.03 -0.27 1.25 2.43 -1.92 -1.03 114.38 116.76 1q3r h ARG 499 Ca 0.17 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1q3r h ARG 499 Cb 0.49 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1q3r h ARG 499 CO 0.02 0.68 -0.06 0.28 -1.51 0.00 0.00 179.97 179.38 1q3r h VAL 500 N 1.06 0.73 -0.09 0.20 2.07 -1.83 -0.36 116.25 118.03 1q3r h VAL 500 Ca 0.44 -0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.75 1q3r h VAL 500 Cb 0.30 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1q3r h VAL 500 CO -0.19 0.00 -0.80 0.50 0.02 0.00 0.00 177.57 177.10 1q3r h LYS 501 N 0.00 0.57 0.27 1.57 1.63 -1.52 -2.71 116.57 116.40 1q3r h LYS 501 Ca 0.13 -0.49 -0.01 0.00 -0.85 0.00 0.00 60.65 59.42 1q3r h LYS 501 Cb 0.20 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.94 1q3r h LYS 501 CO -0.28 1.12 -0.13 0.87 -3.45 0.00 0.00 179.45 177.58 1q3r h LYS 502 N 0.38 -0.35 -0.06 1.90 1.79 -0.92 -2.19 116.57 117.12 1q3r h LYS 502 Ca -0.05 0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1q3r h LYS 502 Cb 1.41 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 1q3r h LYS 502 CO 0.15 -0.15 -0.17 0.37 -1.08 0.00 0.00 179.45 178.58 1q3r h GLN 503 N -0.50 0.09 -0.02 3.15 5.75 -1.18 -1.56 115.11 120.84 1q3r h GLN 503 Ca -0.04 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1q3r h GLN 503 Cb 0.37 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.91 1q3r h GLN 503 CO 0.06 0.26 0.00 0.00 -2.65 0.00 0.00 178.83 176.51 1q3r h ALA 504 N 1.75 0.03 -0.55 3.38 0.00 -1.28 -1.63 119.26 120.96 1q3r h ALA 504 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1q3r h ALA 504 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1q3r h ALA 504 CO 0.02 -0.34 0.12 0.82 0.00 0.00 0.00 179.25 179.88 1q3r h ILE 505 N -0.21 1.25 0.38 0.00 1.08 -1.16 0.08 117.51 118.93 1q3r h ILE 505 Ca 0.01 -0.91 -0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1q3r h ILE 505 Cb 0.26 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1q3r h ILE 505 CO 0.00 0.33 -0.40 0.11 -0.69 0.00 0.00 178.15 177.50 1q3r h LYS 506 N 0.79 -0.78 -0.32 2.37 1.57 -1.20 0.37 116.57 119.38 1q3r h LYS 506 Ca 0.17 0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1q3r h LYS 506 Cb 0.37 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1q3r h LYS 506 CO 0.01 -0.52 -0.26 0.77 -0.57 0.00 0.00 179.45 178.87 1q3r h SER 507 N -0.80 0.66 -0.44 0.86 0.02 -1.27 -2.16 113.55 110.41 1q3r h SER 507 Ca -0.03 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 1q3r h SER 507 Cb 0.73 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 1q3r h SER 507 CO -0.08 0.90 0.20 0.00 -1.14 0.00 0.00 176.83 176.71 1q3r h ALA 508 N 1.15 0.57 0.45 3.77 0.00 -0.83 -2.55 119.26 121.82 1q3r h ALA 508 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1q3r h ALA 508 Cb 0.74 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1q3r h ALA 508 CO 0.06 0.14 -0.22 0.77 0.00 0.00 0.00 179.25 180.00 1q3r h SER 509 N 0.57 -0.52 -0.62 0.00 0.02 -0.79 -1.78 113.55 110.43 1q3r h SER 509 Ca 0.15 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1q3r h SER 509 Cb 0.14 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1q3r h SER 509 CO -0.02 -0.22 0.36 -0.33 -1.14 0.00 0.00 176.83 175.48 1q3r h GLU 510 N -0.82 0.87 0.10 3.45 5.08 -1.45 0.80 114.58 122.62 1q3r h GLU 510 Ca -0.06 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1q3r h GLU 510 Cb 0.56 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1q3r h GLU 510 CO 0.10 0.63 -0.05 0.00 -1.00 0.00 0.00 179.01 178.70 1q3r h ALA 511 N 1.51 -0.13 -0.89 3.43 0.00 -1.48 -0.75 119.26 120.95 1q3r h ALA 511 Ca 0.23 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.05 1q3r h ALA 511 Cb 0.01 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 17.77 1q3r h ALA 511 CO -0.04 -0.38 0.53 0.00 0.00 0.00 0.00 179.25 179.36 1q3r h ALA 512 N 0.33 1.28 -0.31 0.00 0.00 -0.89 -0.53 119.26 119.14 1q3r h ALA 512 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1q3r h ALA 512 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1q3r h ALA 512 CO 0.02 0.16 -0.10 0.82 0.00 0.00 0.00 179.25 180.15 1q3r h ILE 513 N 0.88 1.29 -0.35 0.00 2.04 -0.78 -1.34 117.51 119.25 1q3r h ILE 513 Ca 0.43 -1.17 0.03 0.00 1.00 0.00 0.00 64.86 65.15 1q3r h ILE 513 Cb 0.38 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1q3r h ILE 513 CO -0.25 0.38 0.14 -0.03 0.00 0.00 0.00 178.15 178.39 1q3r h MET 514 N 0.38 0.30 -0.45 2.37 4.05 -0.33 -1.07 114.93 120.18 1q3r h MET 514 Ca 0.07 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1q3r h MET 514 Cb 0.61 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1q3r h MET 514 CO 0.04 0.20 0.19 0.82 0.23 0.00 0.00 176.91 178.38 1q3r h ILE 515 N 0.30 1.20 0.00 1.77 2.04 -1.09 -2.75 117.51 118.99 1q3r h ILE 515 Ca 0.15 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1q3r h ILE 515 Cb 0.10 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1q3r h ILE 515 CO -0.14 0.23 -0.04 0.25 0.00 0.00 0.00 178.15 178.46 1q3r h LEU 516 N 0.59 0.00 -0.13 1.44 5.85 -0.77 -1.50 115.31 120.78 1q3r h LEU 516 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1q3r h LEU 516 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1q3r h LEU 516 CO -0.01 0.04 -0.11 0.54 -0.34 0.00 0.00 178.44 178.55 1q3r n ARG 517 N -3.43 0.48 -2.87 1.25 1.74 -0.45 -4.83 116.66 108.55 1q3r n ARG 517 Ca -0.02 -0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.50 1q3r n ARG 517 Cb 0.15 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 1q3r n ARG 517 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1q3r s ILE 518 N -2.62 4.77 -0.11 0.55 1.01 -0.57 -4.91 121.20 119.33 1q3r s ILE 518 Ca 0.25 1.45 0.14 0.00 0.00 0.00 0.00 60.65 62.49 1q3r s ILE 518 Cb 0.20 -4.18 0.28 0.00 0.01 0.00 0.00 42.46 38.77 1q3r s ILE 518 CO 0.50 -0.20 1.14 -0.90 0.00 0.00 0.00 174.94 175.48 1q3r n ASP 519 N 6.22 1.51 -3.45 3.58 5.75 -1.26 -4.39 116.55 124.51 1q3r n ASP 519 Ca 0.06 -2.92 0.01 0.00 -0.01 0.00 0.00 54.79 51.93 1q3r n ASP 519 Cb 0.48 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 40.14 1q3r n ASP 519 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1q3r s ASP 520 N -2.46 -0.79 -0.13 -1.12 3.68 -1.26 -1.66 116.67 112.94 1q3r s ASP 520 Ca 0.27 1.01 0.01 0.00 2.13 0.00 0.00 52.55 55.97 1q3r s ASP 520 Cb 0.26 1.87 -0.00 0.00 -1.45 0.00 0.00 42.92 43.59 1q3r s ASP 520 CO -0.03 -0.15 -0.17 -0.69 0.13 0.00 0.00 175.17 174.26 1q3r s VAL 521 N 2.64 2.59 -0.24 1.11 1.01 -0.25 -5.00 120.40 122.25 1q3r s VAL 521 Ca -0.02 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 1q3r s VAL 521 Cb -0.09 -2.06 0.07 0.00 0.00 0.00 0.00 36.38 34.30 1q3r s VAL 521 CO -0.18 0.53 0.02 -0.63 0.00 0.00 0.00 175.10 174.84 1q3r s ILE 522 N 0.53 1.04 -0.16 2.22 1.01 -1.26 -1.98 121.20 122.60 1q3r s ILE 522 Ca -0.11 -1.06 -0.01 0.00 0.00 0.00 0.00 60.65 59.47 1q3r s ILE 522 Cb -0.16 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.78 1q3r s ILE 522 CO 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 174.94 174.57 1q3r s ALA 523 N 1.60 2.62 0.50 9.38 0.00 -0.59 -5.00 121.76 130.26 1q3r s ALA 523 Ca 0.00 -1.00 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 1q3r s ALA 523 Cb -0.18 -1.32 -0.07 0.00 0.00 0.00 0.00 23.12 21.56 1q3r s ALA 523 CO -0.11 0.01 0.92 0.00 0.00 0.00 0.00 175.76 176.58 1q3r s ALA 524 N 0.75 3.16 0.44 0.00 0.00 -1.26 -0.85 121.76 124.00 1q3r s ALA 524 Ca -0.05 0.02 -0.24 0.00 0.00 0.00 0.00 51.96 51.69 1q3r s ALA 524 Cb -0.15 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 19.91 1q3r s ALA 524 CO 0.01 -0.23 1.26 0.21 0.00 0.00 0.00 175.76 177.01 1q3r s LYS 525 N -4.16 3.78 0.00 0.00 2.20 -1.26 -4.88 119.74 115.42 1q3r s LYS 525 Ca 0.56 2.02 0.29 0.00 -0.36 0.00 0.00 55.97 58.48 1q3r s LYS 525 Cb -0.10 -2.56 1.29 0.00 -1.51 0.00 0.00 37.83 34.95 1q3r s LYS 525 CO 0.34 -0.60 1.88 0.00 -0.36 0.00 0.00 175.35 176.61