#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2iqy s ASN -1 N 0.00 7.16 0.46 6.43 3.04 -1.26 -5.03 114.94 125.75 2iqy s ASN -1 Ca 0.00 2.00 -0.24 0.00 0.04 0.00 0.00 52.86 54.66 2iqy s ASN -1 Cb 0.00 -2.59 -0.07 0.00 -1.54 0.00 0.00 41.25 37.04 2iqy s ASN -1 CO 0.00 -0.20 1.32 0.00 -3.04 0.00 0.00 177.10 175.18 2iqy s ALA 0 N -1.49 3.08 -0.60 1.71 0.00 -1.26 -4.94 121.76 118.25 2iqy s ALA 0 Ca 0.51 1.26 0.23 0.00 0.00 0.00 0.00 51.96 53.95 2iqy s ALA 0 Cb -0.23 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.40 2iqy s ALA 0 CO 0.29 -1.03 1.01 -1.33 0.00 0.00 0.00 175.76 174.70 2iqy n MET 1 N -0.38 0.29 -4.28 0.00 0.00 -1.26 -4.93 117.12 106.56 2iqy n MET 1 Ca 0.06 -0.01 -0.15 0.00 0.00 0.00 0.00 57.70 57.61 2iqy n MET 1 Cb 0.44 -1.59 -0.10 0.00 0.00 0.00 0.00 33.22 31.97 2iqy n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2iqy s ALA 2 N -3.20 1.56 0.77 3.04 0.00 -1.26 -4.19 121.76 118.49 2iqy s ALA 2 Ca 0.03 -1.65 -0.14 0.00 0.00 0.00 0.00 51.96 50.20 2iqy s ALA 2 Cb 0.14 0.45 0.06 0.00 0.00 0.00 0.00 23.12 23.78 2iqy s ALA 2 CO 0.81 -0.26 1.22 0.00 0.00 0.00 0.00 175.76 177.53 2iqy s ALA 3 N -3.51 1.96 -0.66 0.00 0.00 -1.24 -4.54 121.76 113.76 2iqy s ALA 3 Ca 0.25 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 52.89 2iqy s ALA 3 Cb 0.05 -3.50 0.07 0.00 0.00 0.00 0.00 23.12 19.74 2iqy s ALA 3 CO 0.06 -2.14 0.97 0.34 0.00 0.00 0.00 175.76 174.98 2iqy s ASP 4 N -2.01 6.17 0.00 0.00 3.68 -1.26 -4.76 116.67 118.49 2iqy s ASP 4 Ca 0.75 -0.98 0.18 0.00 2.13 0.00 0.00 52.55 54.63 2iqy s ASP 4 Cb -0.30 -2.42 0.97 0.00 -1.45 0.00 0.00 42.92 39.72 2iqy s ASP 4 CO 0.48 -1.44 1.64 -0.38 0.13 0.00 0.00 175.17 175.60 2iqy n ILE 5 N 5.93 0.05 0.33 4.11 2.08 -1.26 -2.18 119.36 128.42 2iqy n ILE 5 Ca -0.04 -0.08 0.13 0.00 0.56 0.00 0.00 62.75 63.33 2iqy n ILE 5 Cb 0.45 -0.14 0.57 0.00 -0.75 0.00 0.00 39.64 39.78 2iqy n ILE 5 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2iqy h SER 6 N 0.47 0.00 -0.60 4.38 4.64 -1.95 -2.79 113.55 117.70 2iqy h SER 6 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2iqy h SER 6 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2iqy h SER 6 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2iqy n GLN 7 N -2.39 2.40 -0.28 4.77 1.13 -0.93 -4.56 117.38 117.53 2iqy n GLN 7 Ca 0.01 -2.17 0.09 0.00 -1.94 0.00 0.00 57.00 52.99 2iqy n GLN 7 Cb 0.19 -1.47 0.23 0.00 0.11 0.00 0.00 30.24 29.30 2iqy n GLN 7 CO 0.00 0.00 0.00 2.35 -1.44 0.00 0.00 177.06 177.97 2iqy h TRP 8 N 3.56 0.20 -0.52 1.08 2.91 -1.69 -1.23 115.95 120.26 2iqy h TRP 8 Ca 0.00 0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.05 2iqy h TRP 8 Cb 0.81 0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.49 2iqy h TRP 8 CO 0.40 -0.20 0.03 0.00 -1.03 0.00 0.00 178.44 177.63 2iqy n ALA 9 N -2.79 3.77 -1.00 2.65 0.00 -1.26 -0.80 120.51 121.08 2iqy n ALA 9 Ca 0.18 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.54 2iqy n ALA 9 Cb 0.58 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2iqy n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iqy n GLY 10 N 0.26 -1.54 0.44 0.00 0.00 -0.47 -4.66 105.19 99.23 2iqy n GLY 10 Ca 0.28 -1.43 0.26 0.00 0.00 0.00 0.00 46.02 45.12 2iqy n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2iqy h PRO 11 N 0.00 0.21 0.00 1.61 0.11 -1.91 0.11 132.00 132.13 2iqy h PRO 11 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2iqy h PRO 11 Cb 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2iqy h PRO 11 CO 0.00 0.14 0.00 -0.07 -0.21 0.00 0.00 178.00 177.86 2iqy h LEU 12 N 0.21 0.00 -2.31 2.35 3.38 -1.84 -3.46 115.31 113.63 2iqy h LEU 12 Ca 0.51 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.97 2iqy h LEU 12 Cb 1.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.31 2iqy h LEU 12 CO -0.13 0.00 -0.92 -0.24 0.09 0.00 0.00 178.44 177.24 2iqy n SER 13 N -2.38 -1.32 0.00 -0.43 2.88 0.40 -4.83 113.62 107.94 2iqy n SER 13 Ca 0.01 -1.06 0.11 0.00 -1.33 0.00 0.00 58.87 56.60 2iqy n SER 13 Cb 0.22 -2.84 0.50 0.00 -0.75 0.00 0.00 64.21 61.34 2iqy n SER 13 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2iqy n LEU 14 N -4.44 0.00 0.27 2.46 4.77 0.02 -2.20 117.00 117.88 2iqy n LEU 14 Ca -0.26 0.43 0.18 0.00 -0.03 0.00 0.00 56.01 56.33 2iqy n LEU 14 Cb 0.66 -0.43 0.94 0.00 -2.33 0.00 0.00 43.42 42.26 2iqy n LEU 14 CO 0.75 -0.11 1.04 0.06 -1.33 0.00 0.00 177.39 177.80 2iqy h GLN 15 N 0.00 0.00 0.00 3.23 -0.00 -1.71 0.62 115.11 117.26 2iqy h GLN 15 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.64 2iqy h GLN 15 Cb 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.80 2iqy h GLN 15 CO 0.00 0.00 -0.07 0.93 -0.00 0.00 0.00 178.83 179.69 2iqy h GLU 16 N 0.00 0.00 0.00 0.06 5.08 -1.81 -3.28 114.58 114.63 2iqy h GLU 16 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2iqy h GLU 16 Cb 0.08 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2iqy h GLU 16 CO 0.00 0.07 -1.44 0.28 -1.00 0.00 0.00 179.01 176.92 2iqy n VAL 17 N -3.51 1.50 -3.83 3.13 0.31 0.18 -5.05 118.33 111.06 2iqy n VAL 17 Ca -0.02 -0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.21 2iqy n VAL 17 Cb 0.19 -2.15 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 2iqy n VAL 17 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2iqy s ASP 18 N -6.57 -0.24 0.61 4.52 -1.08 -0.99 -4.01 116.67 108.91 2iqy s ASP 18 Ca -0.29 -0.56 -0.18 0.00 -0.52 0.00 0.00 52.55 51.00 2iqy s ASP 18 Cb 0.07 0.67 -0.08 0.00 -1.46 0.00 0.00 42.92 42.12 2iqy s ASP 18 CO 0.44 -1.24 0.44 -0.62 0.52 0.00 0.00 175.17 174.71 2iqy n GLU 19 N -0.46 0.41 -1.86 4.34 1.02 -1.26 -3.79 120.64 119.03 2iqy n GLU 19 Ca -0.05 0.17 -0.37 0.00 -0.02 0.00 0.00 57.16 56.89 2iqy n GLU 19 Cb 0.59 -1.65 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2iqy n GLU 19 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2iqy s PRO 20 N -2.13 2.85 0.63 3.49 0.04 -1.26 -4.47 135.00 134.15 2iqy s PRO 20 Ca 0.66 2.00 -0.11 0.00 0.04 0.00 0.00 61.00 63.59 2iqy s PRO 20 Cb -0.42 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2iqy s PRO 20 CO 0.57 -1.35 1.04 -1.25 0.04 0.00 0.00 177.00 176.04 2iqy s PRO 21 N -3.25 3.45 0.37 0.56 0.04 -1.26 -4.47 135.00 130.44 2iqy s PRO 21 Ca 0.78 0.82 0.16 0.00 0.04 0.00 0.00 61.00 62.80 2iqy s PRO 21 Cb -0.35 -2.06 0.69 0.00 0.04 0.00 0.00 34.50 32.82 2iqy s PRO 21 CO 0.38 -0.69 1.76 1.96 0.04 0.00 0.00 177.00 180.46 2iqy h GLN 22 N -0.35 0.00 -3.98 4.56 1.08 -0.92 -3.46 115.11 112.04 2iqy h GLN 22 Ca -0.44 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.62 2iqy h GLN 22 Cb 1.20 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.44 2iqy h GLN 22 CO 0.61 0.40 -0.64 -1.01 -0.95 0.00 0.00 178.83 177.24 2iqy s HIS 23 N -3.81 0.31 0.25 2.96 3.76 0.59 -5.00 115.29 114.35 2iqy s HIS 23 Ca -0.01 -0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 53.94 2iqy s HIS 23 Cb 0.12 -0.23 -0.09 0.00 1.11 0.00 0.00 32.58 33.50 2iqy s HIS 23 CO 0.70 -0.30 1.04 0.00 -0.85 0.00 0.00 174.74 175.34 2iqy s ALA 24 N -2.46 3.38 -0.26 -1.40 0.00 -1.26 -1.95 121.76 117.80 2iqy s ALA 24 Ca -0.06 0.79 -0.14 0.00 0.00 0.00 0.00 51.96 52.54 2iqy s ALA 24 Cb -0.02 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 2iqy s ALA 24 CO -0.04 -0.03 0.34 -1.17 0.00 0.00 0.00 175.76 174.85 2iqy s LEU 25 N -1.24 4.05 0.15 0.00 2.96 -0.48 -4.47 118.68 119.65 2iqy s LEU 25 Ca 0.44 0.25 -0.30 0.00 -0.22 0.00 0.00 54.13 54.30 2iqy s LEU 25 Cb -0.30 -2.37 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 2iqy s LEU 25 CO 0.37 -0.14 1.04 -0.13 -1.32 0.00 0.00 176.35 176.17 2iqy s ARG 26 N 1.92 4.64 -0.07 1.98 0.52 0.27 -4.63 118.95 123.59 2iqy s ARG 26 Ca 0.14 1.61 -0.02 0.00 -0.52 0.00 0.00 55.73 56.94 2iqy s ARG 26 Cb -0.16 -3.31 0.03 0.00 0.52 0.00 0.00 34.95 32.03 2iqy s ARG 26 CO 0.10 0.14 0.03 0.08 0.02 0.00 0.00 175.30 175.67 2iqy s VAL 27 N -0.18 0.19 -0.27 3.52 1.01 -1.26 -1.54 120.40 121.87 2iqy s VAL 27 Ca 0.48 0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.60 2iqy s VAL 27 Cb -0.27 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.70 2iqy s VAL 27 CO 0.33 0.19 0.01 -1.81 0.00 0.00 0.00 175.10 173.82 2iqy s ASP 28 N 2.04 4.75 0.00 3.32 1.01 -0.29 -1.33 116.67 126.17 2iqy s ASP 28 Ca 0.05 -0.75 0.28 0.00 0.71 0.00 0.00 52.55 52.83 2iqy s ASP 28 Cb -0.13 -1.78 1.00 0.00 1.01 0.00 0.00 42.92 43.02 2iqy s ASP 28 CO -0.05 -0.15 1.71 -1.22 0.21 0.00 0.00 175.17 175.67 2iqy n TYR 29 N 4.78 0.00 0.00 4.23 4.01 0.26 0.26 117.16 130.70 2iqy n TYR 29 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2iqy n TYR 29 Cb 0.48 -0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 2iqy n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2iqy n GLY 30 N 1.25 2.05 0.62 2.72 0.00 -1.26 -4.36 105.19 106.22 2iqy n GLY 30 Ca 0.16 -0.64 0.11 0.00 0.00 0.00 0.00 46.02 45.65 2iqy n GLY 30 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2iqy n GLY 31 N 0.00 0.44 3.42 -0.02 0.00 -1.26 -4.89 105.19 102.87 2iqy n GLY 31 Ca 0.00 -0.46 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2iqy n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iqy s VAL 32 N -1.78 0.01 0.31 1.61 0.11 -1.26 -5.18 120.40 114.23 2iqy s VAL 32 Ca 0.33 -0.12 0.10 0.00 -2.93 0.00 0.00 61.98 59.36 2iqy s VAL 32 Cb 0.18 -0.80 -0.06 0.00 -1.53 0.00 0.00 36.38 34.18 2iqy s VAL 32 CO 0.27 -0.07 -0.13 0.42 -3.33 0.00 0.00 175.10 172.27 2iqy s THR 33 N -0.56 2.29 -0.96 5.04 -4.23 -1.26 -0.57 115.64 115.39 2iqy s THR 33 Ca -0.07 -2.28 -0.16 0.00 -1.18 0.00 0.00 61.69 58.01 2iqy s THR 33 Cb -0.03 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.48 2iqy s THR 33 CO 0.04 -0.29 1.08 -0.69 -0.54 0.00 0.00 174.62 174.23 2iqy s VAL 34 N -2.60 5.09 -0.22 2.29 1.01 -0.44 -4.81 120.40 120.71 2iqy s VAL 34 Ca 0.31 -2.09 0.16 0.00 0.00 0.00 0.00 61.98 60.36 2iqy s VAL 34 Cb -0.00 -4.71 0.57 0.00 0.00 0.00 0.00 36.38 32.24 2iqy s VAL 34 CO 0.15 -1.38 1.47 -0.90 0.00 0.00 0.00 175.10 174.45 2iqy n ASP 35 N 5.48 4.15 -3.71 3.32 5.75 -1.26 -3.68 116.55 126.60 2iqy n ASP 35 Ca 0.23 -2.97 -0.13 0.00 -0.01 0.00 0.00 54.79 51.92 2iqy n ASP 35 Cb 0.47 -0.56 -0.10 0.00 -1.03 0.00 0.00 41.12 39.90 2iqy n ASP 35 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2iqy s GLU 36 N -2.75 0.51 -0.03 0.11 2.12 -1.26 -4.34 118.70 113.06 2iqy s GLU 36 Ca 0.44 0.67 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 2iqy s GLU 36 Cb 0.35 0.21 -0.06 0.00 0.26 0.00 0.00 34.13 34.89 2iqy s GLU 36 CO 0.10 -0.08 1.58 -1.17 -0.54 0.00 0.00 175.26 175.15 2iqy s LEU 37 N 0.46 4.32 -0.20 2.70 2.96 -1.26 -1.90 118.68 125.76 2iqy s LEU 37 Ca -0.02 2.22 0.00 0.00 -0.22 0.00 0.00 54.13 56.11 2iqy s LEU 37 Cb -0.04 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.11 2iqy s LEU 37 CO -0.02 -0.87 0.00 0.61 -1.32 0.00 0.00 176.35 174.75 2iqy n GLY 38 N 3.98 0.54 3.58 7.98 0.00 0.89 -4.99 105.19 117.18 2iqy n GLY 38 Ca 0.16 -0.52 -0.51 0.00 0.00 0.00 0.00 46.02 45.15 2iqy n GLY 38 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2iqy n LYS 39 N -2.67 1.10 -2.62 1.61 4.81 -0.80 -3.51 118.16 116.09 2iqy n LYS 39 Ca -0.02 0.39 -0.43 0.00 -0.87 0.00 0.00 58.31 57.38 2iqy n LYS 39 Cb 0.10 -1.95 -0.02 0.00 0.02 0.00 0.00 35.03 33.18 2iqy n LYS 39 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2iqy s VAL 40 N 0.12 4.49 0.40 3.15 1.01 -1.26 -0.46 120.40 127.84 2iqy s VAL 40 Ca 0.79 1.72 0.08 0.00 0.00 0.00 0.00 61.98 64.57 2iqy s VAL 40 Cb -0.92 -4.37 -0.06 0.00 0.00 0.00 0.00 36.38 31.03 2iqy s VAL 40 CO 0.50 -0.44 0.12 -0.76 0.00 0.00 0.00 175.10 174.52 2iqy s LEU 41 N 3.67 3.06 0.10 3.92 1.43 -0.21 -4.94 118.68 125.70 2iqy s LEU 41 Ca 0.46 -1.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 2iqy s LEU 41 Cb -0.13 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.71 2iqy s LEU 41 CO 0.15 -0.46 0.19 0.42 0.23 0.00 0.00 176.35 176.88 2iqy s THR 42 N -2.60 5.06 0.44 5.49 -4.23 -1.26 -4.31 115.64 114.23 2iqy s THR 42 Ca 0.39 -0.66 0.17 0.00 -1.18 0.00 0.00 61.69 60.41 2iqy s THR 42 Cb 0.04 -3.52 0.36 0.00 1.34 0.00 0.00 72.50 70.72 2iqy s THR 42 CO 0.21 0.04 1.94 -0.65 -0.54 0.00 0.00 174.62 175.62 2iqy h PRO 43 N 2.76 0.34 -0.63 3.99 0.11 -1.85 -1.18 132.00 135.55 2iqy h PRO 43 Ca -0.47 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2iqy h PRO 43 Cb 1.18 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2iqy h PRO 43 CO 0.70 0.22 0.37 1.15 -0.21 0.00 0.00 178.00 180.23 2iqy h THR 44 N 0.35 1.18 0.00 -1.15 2.02 -1.94 -2.32 112.91 111.05 2iqy h THR 44 Ca 0.33 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 67.04 2iqy h THR 44 Cb 0.81 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2iqy h THR 44 CO -0.09 0.19 -0.28 1.56 0.37 0.00 0.00 175.52 177.27 2iqy h GLN 45 N 0.87 0.00 -0.11 6.66 4.20 -1.61 -3.29 115.11 121.82 2iqy h GLN 45 Ca 0.23 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.91 2iqy h GLN 45 Cb -0.02 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2iqy h GLN 45 CO -0.04 0.28 -0.08 1.33 -0.67 0.00 0.00 178.83 179.65 2iqy n VAL 46 N -3.64 2.13 0.24 -0.54 0.24 -0.89 -4.68 118.33 111.19 2iqy n VAL 46 Ca -0.01 -2.35 0.12 0.00 -2.04 0.00 0.00 64.34 60.06 2iqy n VAL 46 Cb 0.40 -0.25 0.55 0.00 -1.47 0.00 0.00 33.84 33.07 2iqy n VAL 46 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2iqy h MET 47 N 0.76 0.00 -6.13 7.34 -0.00 -1.60 -3.38 114.93 111.92 2iqy h MET 47 Ca 0.03 0.00 -0.52 0.00 -0.00 0.00 0.00 59.70 59.20 2iqy h MET 47 Cb 1.20 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.74 2iqy h MET 47 CO 0.11 0.17 -0.50 -0.80 -0.00 0.00 0.00 176.91 175.89 2iqy s ASN 48 N -6.09 4.91 0.63 -0.10 0.01 -1.26 -3.89 114.94 109.15 2iqy s ASN 48 Ca 0.00 -0.68 -0.17 0.00 -0.71 0.00 0.00 52.86 51.30 2iqy s ASN 48 Cb 0.10 -0.80 -0.07 0.00 0.41 0.00 0.00 41.25 40.89 2iqy s ASN 48 CO 0.61 -0.34 0.49 -2.11 -1.51 0.00 0.00 177.10 174.23 2iqy n ARG 49 N -1.25 0.41 -1.66 -0.60 1.85 -1.26 -4.94 116.66 109.20 2iqy n ARG 49 Ca -0.02 0.17 -0.34 0.00 -1.00 0.00 0.00 57.85 56.65 2iqy n ARG 49 Cb 0.61 -1.72 0.07 0.00 -1.05 0.00 0.00 32.46 30.36 2iqy n ARG 49 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2iqy s PRO 50 N -2.32 2.51 0.30 2.89 0.04 -1.26 -4.93 135.00 132.23 2iqy s PRO 50 Ca 0.67 1.71 0.08 0.00 0.04 0.00 0.00 61.00 63.49 2iqy s PRO 50 Cb -0.40 -1.88 0.47 0.00 0.04 0.00 0.00 34.50 32.73 2iqy s PRO 50 CO 0.56 -1.54 1.70 0.66 0.04 0.00 0.00 177.00 178.43 2iqy h SER 51 N 0.10 0.19 -5.01 6.66 4.64 -0.39 -3.46 113.55 116.28 2iqy h SER 51 Ca -0.48 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 60.71 2iqy h SER 51 Cb 1.29 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 2iqy h SER 51 CO 0.52 0.61 0.13 -0.94 -0.87 0.00 0.00 176.83 176.28 2iqy s SER 52 N -6.89 -0.52 0.10 4.97 1.04 -1.13 -5.03 113.70 106.25 2iqy s SER 52 Ca -0.04 0.17 0.04 0.00 0.48 0.00 0.00 55.95 56.60 2iqy s SER 52 Cb 0.13 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 2iqy s SER 52 CO 0.77 -0.82 -0.11 0.27 0.98 0.00 0.00 173.24 174.32 2iqy s ILE 53 N -2.88 1.06 0.13 -1.02 -4.36 -1.26 -1.13 121.20 111.73 2iqy s ILE 53 Ca -0.03 -1.65 -0.18 0.00 -0.26 0.00 0.00 60.65 58.52 2iqy s ILE 53 Cb -0.00 -1.40 0.05 0.00 1.25 0.00 0.00 42.46 42.35 2iqy s ILE 53 CO -0.05 -0.51 0.46 -0.55 0.24 0.00 0.00 174.94 174.53 2iqy s SER 54 N -2.43 -0.34 0.06 4.36 0.15 -0.59 -4.89 113.70 110.02 2iqy s SER 54 Ca 0.06 -0.19 -0.22 0.00 0.70 0.00 0.00 55.95 56.30 2iqy s SER 54 Cb -0.04 0.51 0.05 0.00 -1.71 0.00 0.00 66.02 64.83 2iqy s SER 54 CO 0.01 -0.87 0.52 -1.66 1.20 0.00 0.00 173.24 172.43 2iqy s TRP 55 N -3.67 -0.41 0.11 3.44 -2.14 -1.26 -0.56 118.94 114.45 2iqy s TRP 55 Ca 0.02 0.40 -0.34 0.00 2.66 0.00 0.00 56.10 58.84 2iqy s TRP 55 Cb 0.01 0.35 -0.13 0.00 -3.10 0.00 0.00 33.47 30.60 2iqy s TRP 55 CO -0.11 -0.67 1.65 -3.47 -2.66 0.00 0.00 176.95 171.69 2iqy n ASP 56 N 0.28 3.23 0.00 -2.66 2.03 -1.26 -2.34 116.55 115.82 2iqy n ASP 56 Ca -0.18 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.19 2iqy n ASP 56 Cb 0.61 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.58 2iqy n ASP 56 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2iqy n GLY 57 N 3.65 0.72 3.60 0.27 0.00 -1.26 -4.99 105.19 107.18 2iqy n GLY 57 Ca 0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.75 2iqy n GLY 57 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2iqy n LEU 58 N 0.00 2.01 -4.11 0.99 -0.00 -0.99 -4.95 117.00 109.94 2iqy n LEU 58 Ca 0.00 1.17 -0.33 0.00 -0.00 0.00 0.00 56.01 56.85 2iqy n LEU 58 Cb 0.00 -1.30 -0.15 0.00 -0.00 0.00 0.00 43.42 41.97 2iqy n LEU 58 CO 0.00 -1.20 -0.47 -0.62 -0.00 0.00 0.00 177.39 175.10 2iqy s ASP 59 N -0.30 4.03 0.00 1.45 -1.08 -1.26 -4.98 116.67 114.52 2iqy s ASP 59 Ca 0.63 -1.07 0.07 0.00 -0.52 0.00 0.00 52.55 51.66 2iqy s ASP 59 Cb -0.72 -1.55 0.33 0.00 -1.46 0.00 0.00 42.92 39.52 2iqy s ASP 59 CO 0.57 -0.12 1.20 -0.81 0.52 0.00 0.00 175.17 176.52 2iqy n PRO 60 N 4.54 0.03 -0.19 4.34 -0.04 -1.26 -1.44 135.00 140.98 2iqy n PRO 60 Ca -0.17 0.33 0.12 0.00 -0.04 0.00 0.00 63.50 63.74 2iqy n PRO 60 Cb 0.45 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.63 2iqy n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2iqy n GLY 61 N -0.71 1.73 3.72 0.55 0.00 -1.26 -4.21 105.19 105.00 2iqy n GLY 61 Ca 0.02 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.07 2iqy n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2iqy s LYS 62 N -1.51 2.42 -0.04 1.61 1.02 -0.52 -5.01 119.74 117.72 2iqy s LYS 62 Ca 0.39 -1.43 -0.02 0.00 0.02 0.00 0.00 55.97 54.93 2iqy s LYS 62 Cb 0.23 -2.23 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 2iqy s LYS 62 CO 0.32 0.24 0.07 -0.51 -0.92 0.00 0.00 175.35 174.55 2iqy s LEU 63 N -3.79 3.91 0.05 3.17 1.43 -1.26 -1.67 118.68 120.52 2iqy s LEU 63 Ca 0.35 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.66 2iqy s LEU 63 Cb -0.05 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2iqy s LEU 63 CO 0.22 0.31 -0.06 -0.31 0.23 0.00 0.00 176.35 176.74 2iqy s TYR 64 N -1.11 0.64 -0.11 0.29 1.51 0.39 -1.10 117.35 117.86 2iqy s TYR 64 Ca 0.20 -0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 2iqy s TYR 64 Cb -0.12 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.30 2iqy s TYR 64 CO 0.10 -0.15 0.03 0.99 -1.11 0.00 0.00 175.55 175.42 2iqy s THR 65 N -2.17 4.57 -0.06 -0.71 2.01 0.05 -0.95 115.64 118.38 2iqy s THR 65 Ca -0.04 -0.14 0.05 0.00 0.31 0.00 0.00 61.69 61.86 2iqy s THR 65 Cb -0.05 -2.96 -0.00 0.00 0.01 0.00 0.00 72.50 69.50 2iqy s THR 65 CO -0.02 0.58 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.07 2iqy s LEU 66 N -0.65 1.96 -0.01 4.42 2.96 0.33 -0.64 118.68 127.06 2iqy s LEU 66 Ca 0.11 -0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2iqy s LEU 66 Cb -0.12 -1.14 0.01 0.00 0.50 0.00 0.00 46.19 45.44 2iqy s LEU 66 CO 0.02 0.17 0.02 -0.69 -1.32 0.00 0.00 176.35 174.56 2iqy s VAL 67 N 0.07 -0.01 -0.14 1.68 1.01 -0.05 -0.94 120.40 122.02 2iqy s VAL 67 Ca -0.07 0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.96 2iqy s VAL 67 Cb -0.13 -0.05 0.01 0.00 0.00 0.00 0.00 36.38 36.21 2iqy s VAL 67 CO 0.04 0.01 -0.20 -0.22 0.00 0.00 0.00 175.10 174.73 2iqy s LEU 68 N 0.15 2.03 0.02 3.92 2.96 -0.44 -0.63 118.68 126.68 2iqy s LEU 68 Ca -0.01 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.31 2iqy s LEU 68 Cb -0.02 -1.38 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2iqy s LEU 68 CO -0.00 0.05 -0.00 0.28 -1.32 0.00 0.00 176.35 175.36 2iqy s THR 69 N 0.94 0.10 -0.32 3.68 -1.32 -0.30 -0.24 115.64 118.18 2iqy s THR 69 Ca -0.05 -0.83 0.03 0.00 -1.21 0.00 0.00 61.69 59.63 2iqy s THR 69 Cb -0.15 -0.28 0.09 0.00 -1.51 0.00 0.00 72.50 70.65 2iqy s THR 69 CO -0.04 -0.45 0.01 -0.62 -2.21 0.00 0.00 174.62 171.31 2iqy s ASP 70 N -1.37 4.73 0.33 8.08 2.15 -0.22 -0.81 116.67 129.56 2iqy s ASP 70 Ca -0.15 -1.87 0.26 0.00 0.43 0.00 0.00 52.55 51.21 2iqy s ASP 70 Cb -0.09 -1.63 1.12 0.00 -0.30 0.00 0.00 42.92 42.01 2iqy s ASP 70 CO -0.01 -0.33 1.77 1.55 -0.17 0.00 0.00 175.17 177.98 2iqy h PRO 71 N 7.72 0.00 -1.99 4.34 0.13 -1.85 -0.51 132.00 139.84 2iqy h PRO 71 Ca -0.10 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.31 2iqy h PRO 71 Cb 1.03 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 31.91 2iqy h PRO 71 CO 0.52 0.00 0.94 -0.25 -0.23 0.00 0.00 178.00 178.98 2iqy n ASP 72 N -2.40 7.33 -4.33 1.44 8.00 -1.26 -4.31 116.55 121.02 2iqy n ASP 72 Ca 0.01 -3.72 -0.35 0.00 0.71 0.00 0.00 54.79 51.44 2iqy n ASP 72 Cb 0.21 -1.10 -0.14 0.00 -0.02 0.00 0.00 41.12 40.07 2iqy n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2iqy s ALA 73 N -3.62 2.87 -0.97 2.24 0.00 -1.26 -1.16 121.76 119.87 2iqy s ALA 73 Ca 0.53 -1.19 0.28 0.00 0.00 0.00 0.00 51.96 51.58 2iqy s ALA 73 Cb 0.43 -1.79 1.09 0.00 0.00 0.00 0.00 23.12 22.85 2iqy s ALA 73 CO -0.38 -0.48 1.84 -0.35 0.00 0.00 0.00 175.76 176.39 2iqy n PRO 74 N 4.81 0.03 -3.87 0.00 -0.04 -1.26 -0.08 135.00 134.60 2iqy n PRO 74 Ca -0.18 0.02 -0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2iqy n PRO 74 Cb 0.51 -1.53 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2iqy n PRO 74 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2iqy s SER 75 N -3.17 -0.05 0.32 3.54 1.04 -0.31 -4.60 113.70 110.48 2iqy s SER 75 Ca 0.13 -0.70 0.10 0.00 0.48 0.00 0.00 55.95 55.96 2iqy s SER 75 Cb 0.18 0.46 0.55 0.00 0.10 0.00 0.00 66.02 67.32 2iqy s SER 75 CO 0.56 -0.91 1.74 -0.09 0.98 0.00 0.00 173.24 175.52 2iqy h ARG 76 N 2.47 0.08 -0.07 4.02 2.43 -1.78 -2.34 114.38 119.19 2iqy h ARG 76 Ca -0.31 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.66 2iqy h ARG 76 Cb 1.24 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 2iqy h ARG 76 CO 0.46 0.51 -0.63 -0.22 -1.51 0.00 0.00 179.97 178.58 2iqy h LYS 77 N 0.07 0.27 -2.02 0.20 1.63 -1.93 -3.37 116.57 111.43 2iqy h LYS 77 Ca 0.00 -0.19 -0.56 0.00 -0.85 0.00 0.00 60.65 59.05 2iqy h LYS 77 Cb 0.80 0.03 -0.39 0.00 -0.60 0.00 0.00 32.23 32.07 2iqy h LYS 77 CO 0.06 0.81 -1.07 -0.25 -3.45 0.00 0.00 179.45 175.55 2iqy n ASP 78 N -3.86 0.40 -3.10 4.20 8.00 -1.15 -5.04 116.55 116.01 2iqy n ASP 78 Ca -0.03 -2.74 -0.33 0.00 0.71 0.00 0.00 54.79 52.41 2iqy n ASP 78 Cb 0.64 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2iqy n ASP 78 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2iqy n PRO 79 N 1.38 3.24 0.29 -0.24 -0.04 -0.89 -4.05 135.00 134.69 2iqy n PRO 79 Ca 0.22 -1.92 0.19 0.00 -0.04 0.00 0.00 63.50 61.95 2iqy n PRO 79 Cb 0.52 -2.63 0.92 0.00 -0.04 0.00 0.00 33.50 32.27 2iqy n PRO 79 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2iqy h LYS 80 N 4.87 0.00 -0.34 0.54 2.10 -1.78 -2.15 116.57 119.81 2iqy h LYS 80 Ca 0.73 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.38 2iqy h LYS 80 Cb 0.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.77 2iqy h LYS 80 CO 1.51 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 180.15 2iqy n PHE 81 N -3.00 0.95 -1.64 0.07 0.99 0.89 -4.90 117.46 110.82 2iqy n PHE 81 Ca -0.01 -0.74 -0.49 0.00 -0.00 0.00 0.00 57.45 56.21 2iqy n PHE 81 Cb 0.18 -0.25 -0.05 0.00 -1.00 0.00 0.00 39.48 38.36 2iqy n PHE 81 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.76 174.63 2iqy n ARG 82 N -0.01 1.73 -3.51 -1.08 0.63 -0.81 -0.96 116.66 112.66 2iqy n ARG 82 Ca 0.20 0.63 -0.27 0.00 -0.92 0.00 0.00 57.85 57.48 2iqy n ARG 82 Cb 0.79 -2.35 -0.03 0.00 0.45 0.00 0.00 32.46 31.32 2iqy n ARG 82 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2iqy s GLU 83 N 1.15 3.55 -0.32 -0.14 2.02 0.11 -3.81 118.70 121.26 2iqy s GLU 83 Ca 0.83 -0.22 -0.14 0.00 0.02 0.00 0.00 54.97 55.46 2iqy s GLU 83 Cb -0.80 -2.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.67 2iqy s GLU 83 CO 0.44 0.28 0.33 -0.46 0.02 0.00 0.00 175.26 175.87 2iqy s TRP 84 N -2.03 3.22 -0.18 1.61 -0.00 -0.20 -0.72 118.94 120.64 2iqy s TRP 84 Ca 0.41 0.04 -0.13 0.00 -0.00 0.00 0.00 56.10 56.42 2iqy s TRP 84 Cb -0.11 -2.60 -0.05 0.00 -0.00 0.00 0.00 33.47 30.72 2iqy s TRP 84 CO 0.31 -0.36 0.25 -3.38 -0.00 0.00 0.00 176.95 173.77 2iqy s HIS 85 N 1.96 3.43 -0.10 5.86 -3.43 -0.56 -1.05 115.29 121.40 2iqy s HIS 85 Ca 0.11 0.51 0.15 0.00 -0.80 0.00 0.00 55.06 55.03 2iqy s HIS 85 Cb -0.16 -2.30 -0.23 0.00 -1.43 0.00 0.00 32.58 28.45 2iqy s HIS 85 CO 0.11 0.23 0.45 0.72 -2.00 0.00 0.00 174.74 174.26 2iqy n HIS 86 N 3.65 0.62 -3.64 0.38 8.25 0.67 -4.91 115.22 120.24 2iqy n HIS 86 Ca -0.13 0.22 -0.11 0.00 -0.26 0.00 0.00 57.72 57.44 2iqy n HIS 86 Cb 0.52 -1.10 -0.07 0.00 1.12 0.00 0.00 29.99 30.45 2iqy n HIS 86 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 2iqy s PHE 87 N -2.59 -0.87 -0.14 4.41 5.36 -1.02 -1.33 117.98 121.81 2iqy s PHE 87 Ca -0.07 1.93 -0.04 0.00 -0.96 0.00 0.00 56.93 57.79 2iqy s PHE 87 Cb 0.07 0.41 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 2iqy s PHE 87 CO 0.83 -0.43 0.26 -1.17 -1.46 0.00 0.00 175.22 173.25 2iqy s LEU 88 N 0.90 -0.28 -0.03 6.12 2.96 -0.88 -1.33 118.68 126.14 2iqy s LEU 88 Ca -0.04 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.35 2iqy s LEU 88 Cb -0.05 0.65 0.01 0.00 0.50 0.00 0.00 46.19 47.30 2iqy s LEU 88 CO -0.08 -0.25 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.93 2iqy s VAL 89 N 2.41 0.73 0.34 1.68 1.01 -0.12 -0.35 120.40 126.09 2iqy s VAL 89 Ca 0.02 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 61.79 2iqy s VAL 89 Cb -0.13 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.53 2iqy s VAL 89 CO -0.09 0.24 -0.10 0.68 0.00 0.00 0.00 175.10 175.83 2iqy s VAL 90 N 0.34 2.31 -1.59 2.92 -7.23 -0.36 -0.51 120.40 116.28 2iqy s VAL 90 Ca -0.05 -2.21 -0.03 0.00 -1.81 0.00 0.00 61.98 57.87 2iqy s VAL 90 Cb -0.10 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.23 2iqy s VAL 90 CO 0.01 -0.23 0.44 0.59 -0.31 0.00 0.00 175.10 175.60 2iqy n ASN 91 N -0.79 -6.00 -4.72 4.85 3.02 -1.05 -0.23 115.26 110.35 2iqy n ASN 91 Ca -0.05 -0.21 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 2iqy n ASN 91 Cb 0.63 -4.86 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 2iqy n ASN 91 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 2iqy s MET 92 N -5.50 4.59 -0.36 3.52 -2.45 -0.13 -4.21 119.30 114.77 2iqy s MET 92 Ca 0.22 1.47 -0.26 0.00 -1.25 0.00 0.00 55.69 55.87 2iqy s MET 92 Cb -0.10 -3.42 0.01 0.00 1.25 0.00 0.00 34.83 32.58 2iqy s MET 92 CO 0.27 0.02 0.91 0.15 1.05 0.00 0.00 175.02 177.42 2iqy s LYS 93 N 0.65 3.87 5.33 4.11 1.02 -1.26 -0.46 119.74 133.00 2iqy s LYS 93 Ca 0.51 0.60 0.00 0.00 0.02 0.00 0.00 55.97 57.10 2iqy s LYS 93 Cb -0.23 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.29 2iqy s LYS 93 CO 0.29 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.23 2iqy n GLY 94 N 4.32 3.34 1.14 -3.33 0.00 -0.67 -1.63 105.19 108.36 2iqy n GLY 94 Ca 0.07 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2iqy n GLY 94 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2iqy n ASN 95 N 4.24 4.25 -4.50 1.61 6.94 -1.26 -4.73 115.26 121.81 2iqy n ASN 95 Ca 0.00 -3.04 -0.42 0.00 -0.02 0.00 0.00 54.58 51.10 2iqy n ASN 95 Cb 0.00 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 36.81 2iqy n ASN 95 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2iqy s ASP 96 N -1.70 6.46 0.28 0.53 -1.08 -0.65 -4.71 116.67 115.80 2iqy s ASP 96 Ca 0.45 -1.49 0.01 0.00 -0.52 0.00 0.00 52.55 51.00 2iqy s ASP 96 Cb 0.36 -2.48 0.57 0.00 -1.46 0.00 0.00 42.92 39.91 2iqy s ASP 96 CO 0.10 -1.36 1.83 0.40 0.52 0.00 0.00 175.17 176.65 2iqy h ILE 97 N 6.21 0.89 0.00 4.11 2.04 -1.90 -1.36 117.51 127.49 2iqy h ILE 97 Ca 0.05 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.58 2iqy h ILE 97 Cb 1.03 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 2iqy h ILE 97 CO 1.25 0.17 -0.00 0.77 0.00 0.00 0.00 178.15 180.34 2iqy h SER 98 N 0.95 0.00 1.63 1.72 4.64 -1.97 -1.97 113.55 118.55 2iqy h SER 98 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 2iqy h SER 98 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2iqy h SER 98 CO -0.28 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.45 2iqy h SER 99 N 0.00 0.00 -4.46 4.97 4.64 -1.61 -3.47 113.55 113.63 2iqy h SER 99 Ca -0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 2iqy h SER 99 Cb 0.17 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.36 2iqy h SER 99 CO 0.00 0.00 0.38 -0.83 -0.87 0.00 0.00 176.83 175.51 2iqy s GLY 100 N -4.17 1.61 -0.30 -0.77 0.00 -0.74 -4.66 107.32 98.28 2iqy s GLY 100 Ca 0.05 -0.44 -0.18 0.00 0.00 0.00 0.00 44.72 44.15 2iqy s GLY 100 CO 0.62 0.00 0.50 -1.59 0.00 0.00 0.00 173.10 172.63 2iqy s THR 101 N -3.38 5.05 -0.43 0.90 2.01 0.69 -4.93 115.64 115.55 2iqy s THR 101 Ca 0.61 0.60 -0.26 0.00 0.31 0.00 0.00 61.69 62.94 2iqy s THR 101 Cb -0.12 -3.88 0.02 0.00 0.01 0.00 0.00 72.50 68.53 2iqy s THR 101 CO 0.52 -0.05 0.95 -0.69 -0.69 0.00 0.00 174.62 174.66 2iqy s VAL 102 N 2.33 4.48 0.00 3.82 1.01 -1.26 -1.23 120.40 129.56 2iqy s VAL 102 Ca 0.19 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 2iqy s VAL 102 Cb -0.16 -4.42 -0.28 0.00 0.00 0.00 0.00 36.38 31.52 2iqy s VAL 102 CO 0.11 -0.74 0.86 -0.07 0.00 0.00 0.00 175.10 175.26 2iqy h LEU 103 N 10.46 0.43 -7.27 3.92 3.38 -1.06 -3.45 115.31 121.72 2iqy h LEU 103 Ca -0.24 -0.59 -0.49 0.00 0.09 0.00 0.00 57.88 56.66 2iqy h LEU 103 Cb 1.07 -0.14 -0.40 0.00 0.09 0.00 0.00 40.66 41.29 2iqy h LEU 103 CO 1.02 1.48 -0.76 -0.44 0.09 0.00 0.00 178.44 179.84 2iqy s SER 104 N -7.04 2.56 0.56 -0.43 0.01 -0.71 -0.34 113.70 108.30 2iqy s SER 104 Ca -0.09 -0.65 -0.21 0.00 1.31 0.00 0.00 55.95 56.32 2iqy s SER 104 Cb 0.07 -0.50 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2iqy s SER 104 CO 0.86 -0.29 1.30 -1.61 0.41 0.00 0.00 173.24 173.90 2iqy s GLU 105 N 1.93 3.08 0.16 12.44 2.02 -0.11 -2.07 118.70 136.13 2iqy s GLU 105 Ca 0.01 2.08 -0.31 0.00 0.02 0.00 0.00 54.97 56.76 2iqy s GLU 105 Cb -0.16 -2.14 -0.11 0.00 0.10 0.00 0.00 34.13 31.82 2iqy s GLU 105 CO -0.08 -1.19 1.72 -0.47 0.02 0.00 0.00 175.26 175.26 2iqy s TYR 106 N -1.40 2.64 -0.07 1.61 5.04 -1.25 -4.56 117.35 119.37 2iqy s TYR 106 Ca 0.74 0.28 0.04 0.00 -2.44 0.00 0.00 57.07 55.68 2iqy s TYR 106 Cb -0.37 -4.09 0.00 0.00 0.35 0.00 0.00 41.96 37.85 2iqy s TYR 106 CO 0.42 -4.27 -0.19 0.08 -1.34 0.00 0.00 175.55 170.26 2iqy s VAL 107 N 1.82 1.60 1.09 3.14 1.01 -0.44 -4.77 120.40 123.84 2iqy s VAL 107 Ca 0.76 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2iqy s VAL 107 Cb -0.46 -1.39 0.23 0.00 0.00 0.00 0.00 36.38 34.76 2iqy s VAL 107 CO 0.33 0.46 1.14 -0.83 0.00 0.00 0.00 175.10 176.20 2iqy s GLY 108 N 0.30 1.61 0.18 4.51 0.00 -1.25 -4.73 107.32 107.94 2iqy s GLY 108 Ca -0.12 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 43.46 2iqy s GLY 108 CO 0.05 -0.05 1.71 1.44 0.00 0.00 0.00 173.10 176.25 2iqy n SER 109 N -4.36 3.82 -2.76 1.64 7.64 -1.26 -4.94 113.62 113.40 2iqy n SER 109 Ca 0.11 1.05 -0.17 0.00 1.01 0.00 0.00 58.87 60.87 2iqy n SER 109 Cb 0.59 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2iqy n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2iqy n GLY 110 N 3.90 3.41 3.72 0.23 0.00 -1.26 -4.74 105.19 110.45 2iqy n GLY 110 Ca 0.17 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 2iqy n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2iqy s PRO 111 N -3.10 4.22 0.64 1.61 0.04 -1.26 -4.94 135.00 132.20 2iqy s PRO 111 Ca 0.37 2.36 -0.17 0.00 0.04 0.00 0.00 61.00 63.60 2iqy s PRO 111 Cb 0.40 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.79 2iqy s PRO 111 CO -0.06 -0.58 1.18 -2.14 0.04 0.00 0.00 177.00 175.45 2iqy s PRO 112 N 0.85 2.74 0.49 0.56 0.02 -1.26 -3.92 135.00 134.48 2iqy s PRO 112 Ca 0.68 1.71 -0.24 0.00 0.02 0.00 0.00 61.00 63.18 2iqy s PRO 112 Cb -0.44 -1.91 -0.07 0.00 0.02 0.00 0.00 34.50 32.10 2iqy s PRO 112 CO 0.34 -1.36 1.38 0.21 -0.33 0.00 0.00 177.00 177.24 2iqy s LYS 113 N -3.63 3.49 -1.22 5.54 2.20 -1.26 -2.60 119.74 122.26 2iqy s LYS 113 Ca 0.74 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.66 2iqy s LYS 113 Cb -0.28 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.55 2iqy s LYS 113 CO 0.37 -0.94 0.00 -0.25 -0.36 0.00 0.00 175.35 174.18 2iqy n ASP 114 N -0.52 -4.38 -0.81 1.43 8.00 -1.26 -4.87 116.55 114.14 2iqy n ASP 114 Ca 0.07 0.28 0.08 0.00 0.71 0.00 0.00 54.79 55.94 2iqy n ASP 114 Cb 0.43 -2.90 0.14 0.00 -0.02 0.00 0.00 41.12 38.78 2iqy n ASP 114 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2iqy n THR 115 N -2.68 0.44 -4.39 -3.53 -2.24 -1.07 -5.10 114.28 95.71 2iqy n THR 115 Ca -0.12 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.95 2iqy n THR 115 Cb 0.38 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2iqy n THR 115 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2iqy n GLY 116 N 1.00 -1.34 3.70 3.38 0.00 -1.26 -4.44 105.19 106.22 2iqy n GLY 116 Ca 0.13 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2iqy n GLY 116 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2iqy s LEU 117 N 0.00 4.33 -0.02 0.99 1.43 -1.26 -4.43 118.68 119.73 2iqy s LEU 117 Ca 0.00 1.90 -0.05 0.00 -1.03 0.00 0.00 54.13 54.95 2iqy s LEU 117 Cb 0.00 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2iqy s LEU 117 CO 0.00 -0.49 0.22 -1.00 0.23 0.00 0.00 176.35 175.30 2iqy s HIS 118 N 1.53 3.57 -0.19 0.29 3.76 0.00 -4.66 115.29 119.58 2iqy s HIS 118 Ca 0.57 0.49 -0.27 0.00 -0.15 0.00 0.00 55.06 55.69 2iqy s HIS 118 Cb -0.27 -1.92 -0.00 0.00 1.11 0.00 0.00 32.58 31.50 2iqy s HIS 118 CO 0.26 0.64 0.94 1.03 -0.85 0.00 0.00 174.74 176.76 2iqy s ARG 119 N -1.73 4.29 -0.31 1.40 0.52 -1.26 -1.75 118.95 120.11 2iqy s ARG 119 Ca 0.26 1.19 -0.08 0.00 -0.52 0.00 0.00 55.73 56.58 2iqy s ARG 119 Cb -0.13 -3.60 0.00 0.00 0.52 0.00 0.00 34.95 31.74 2iqy s ARG 119 CO 0.15 -0.47 0.12 0.71 0.02 0.00 0.00 175.30 175.84 2iqy s TYR 120 N 2.62 3.17 -0.25 -0.53 2.02 0.77 -3.88 117.35 121.27 2iqy s TYR 120 Ca 0.42 -0.75 -0.05 0.00 -0.37 0.00 0.00 57.07 56.31 2iqy s TYR 120 Cb -0.16 -2.31 -0.00 0.00 -0.40 0.00 0.00 41.96 39.08 2iqy s TYR 120 CO 0.10 -0.51 0.01 0.08 -1.57 0.00 0.00 175.55 173.66 2iqy s VAL 121 N 1.56 3.66 -0.12 0.71 1.01 0.01 -1.44 120.40 125.79 2iqy s VAL 121 Ca 0.04 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.33 2iqy s VAL 121 Cb -0.17 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 2iqy s VAL 121 CO 0.05 0.28 0.30 0.26 0.00 0.00 0.00 175.10 175.99 2iqy s TRP 122 N 1.49 3.53 0.00 5.22 0.52 -0.35 -1.15 118.94 128.20 2iqy s TRP 122 Ca 0.04 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.83 2iqy s TRP 122 Cb -0.16 -2.29 -0.00 0.00 -1.15 0.00 0.00 33.47 29.87 2iqy s TRP 122 CO -0.00 0.37 -0.01 -0.51 0.02 0.00 0.00 176.95 176.82 2iqy s LEU 123 N 0.01 2.03 -0.08 2.99 1.43 0.20 -1.08 118.68 124.18 2iqy s LEU 123 Ca 0.18 -0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2iqy s LEU 123 Cb -0.14 -0.02 0.00 0.00 0.03 0.00 0.00 46.19 46.07 2iqy s LEU 123 CO 0.06 -0.03 -0.20 -0.69 0.23 0.00 0.00 176.35 175.72 2iqy s VAL 124 N -0.17 1.73 -0.05 -1.59 1.01 0.02 -0.87 120.40 120.47 2iqy s VAL 124 Ca -0.02 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2iqy s VAL 124 Cb -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 2iqy s VAL 124 CO -0.00 0.49 -0.21 -0.31 0.00 0.00 0.00 175.10 175.07 2iqy s TYR 125 N 0.32 2.52 -0.18 5.22 1.51 0.19 -0.58 117.35 126.36 2iqy s TYR 125 Ca -0.14 -0.41 -0.20 0.00 -1.01 0.00 0.00 57.07 55.30 2iqy s TYR 125 Cb -0.16 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 2iqy s TYR 125 CO 0.06 -0.01 0.60 -2.00 -1.11 0.00 0.00 175.55 173.10 2iqy s GLU 126 N -0.49 4.24 0.18 -0.62 2.12 -1.26 -0.77 118.70 122.10 2iqy s GLU 126 Ca 0.06 0.60 -0.16 0.00 0.36 0.00 0.00 54.97 55.83 2iqy s GLU 126 Cb -0.11 -3.55 -0.07 0.00 0.26 0.00 0.00 34.13 30.65 2iqy s GLU 126 CO 0.01 -0.16 0.61 -0.65 -0.54 0.00 0.00 175.26 174.53 2iqy s GLN 127 N 1.63 4.05 -0.02 4.30 -0.21 -0.26 -4.70 119.66 124.46 2iqy s GLN 127 Ca 0.29 0.59 -0.20 0.00 0.02 0.00 0.00 55.36 56.06 2iqy s GLN 127 Cb -0.16 -2.88 -0.32 0.00 1.00 0.00 0.00 33.01 30.64 2iqy s GLN 127 CO 0.11 0.43 0.94 0.93 -2.12 0.00 0.00 175.29 175.59 2iqy h GLU 128 N 3.42 0.39 -5.00 2.91 4.39 -1.90 -3.42 114.58 115.38 2iqy h GLU 128 Ca -0.48 -0.65 -0.49 0.00 0.34 0.00 0.00 59.36 58.08 2iqy h GLU 128 Cb 1.19 0.24 -0.14 0.00 -0.10 0.00 0.00 28.75 29.95 2iqy h GLU 128 CO 0.66 1.31 -0.54 1.14 -1.16 0.00 0.00 179.01 180.41 2iqy s GLN 129 N -2.54 1.76 0.64 2.33 0.00 -1.26 -5.03 119.66 115.56 2iqy s GLN 129 Ca -0.12 -2.03 -0.18 0.00 -0.00 0.00 0.00 55.36 53.03 2iqy s GLN 129 Cb 0.02 -0.40 -0.03 0.00 0.00 0.00 0.00 33.01 32.60 2iqy s GLN 129 CO 0.87 -0.44 1.00 -0.35 0.00 0.00 0.00 175.29 176.38 2iqy n PRO 130 N -0.74 0.81 -4.50 9.60 -0.04 -1.26 -5.01 135.00 133.86 2iqy n PRO 130 Ca -0.02 0.33 -0.34 0.00 -0.04 0.00 0.00 63.50 63.42 2iqy n PRO 130 Cb 0.65 -2.23 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 2iqy n PRO 130 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2iqy s LEU 131 N -2.63 3.36 -0.50 1.53 1.43 -1.26 -5.07 118.68 115.53 2iqy s LEU 131 Ca 0.77 0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2iqy s LEU 131 Cb -0.39 -1.75 0.13 0.00 0.03 0.00 0.00 46.19 44.21 2iqy s LEU 131 CO 0.46 0.35 0.29 0.21 0.23 0.00 0.00 176.35 177.89 2iqy s ASN 132 N -0.74 5.06 0.05 2.29 2.47 -1.26 -4.93 114.94 117.88 2iqy s ASN 132 Ca 0.11 -2.51 -0.15 0.00 0.42 0.00 0.00 52.86 50.72 2iqy s ASN 132 Cb -0.11 -1.79 -0.06 0.00 -1.45 0.00 0.00 41.25 37.83 2iqy s ASN 132 CO 0.02 -0.41 0.48 0.00 -3.72 0.00 0.00 177.10 173.46 2iqy n ASP 134 N 1.54 1.02 -4.59 0.00 5.75 -1.26 -4.99 116.55 114.01 2iqy n ASP 134 Ca -0.11 -0.81 -0.38 0.00 -0.01 0.00 0.00 54.79 53.47 2iqy n ASP 134 Cb 0.52 0.45 0.04 0.00 -1.03 0.00 0.00 41.12 41.11 2iqy n ASP 134 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2iqy n GLU 135 N -1.04 0.92 -2.16 0.11 4.71 -1.26 -4.91 120.64 117.01 2iqy n GLU 135 Ca 0.07 0.35 -0.39 0.00 -0.01 0.00 0.00 57.16 57.18 2iqy n GLU 135 Cb 0.36 -2.08 -0.01 0.00 -1.01 0.00 0.00 31.44 28.69 2iqy n GLU 135 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2iqy s PRO 136 N -2.54 4.12 -0.29 3.49 0.04 -1.26 -4.95 135.00 133.61 2iqy s PRO 136 Ca 0.73 2.07 -0.27 0.00 0.04 0.00 0.00 61.00 63.56 2iqy s PRO 136 Cb -0.44 -2.83 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2iqy s PRO 136 CO 0.50 -0.34 0.99 0.42 0.04 0.00 0.00 177.00 178.61 2iqy s ILE 137 N -1.27 4.63 -0.17 0.56 -1.09 -1.26 -4.80 121.20 117.80 2iqy s ILE 137 Ca 0.54 1.67 -0.08 0.00 -2.23 0.00 0.00 60.65 60.55 2iqy s ILE 137 Cb -0.36 -4.32 -0.05 0.00 -1.58 0.00 0.00 42.46 36.16 2iqy s ILE 137 CO 0.47 -0.34 0.12 -0.76 -1.23 0.00 0.00 174.94 173.20 2iqy s LEU 138 N 3.35 4.22 0.79 2.97 1.43 0.54 -5.01 118.68 126.96 2iqy s LEU 138 Ca 0.42 0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 53.70 2iqy s LEU 138 Cb -0.13 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.09 2iqy s LEU 138 CO 0.12 0.27 1.16 -0.55 0.23 0.00 0.00 176.35 177.58 2iqy s SER 139 N -0.18 4.66 0.00 2.29 0.15 -1.26 -0.94 113.70 118.43 2iqy s SER 139 Ca 0.10 0.83 0.25 0.00 0.70 0.00 0.00 55.95 57.84 2iqy s SER 139 Cb -0.11 -1.38 1.14 0.00 -1.71 0.00 0.00 66.02 63.96 2iqy s SER 139 CO 0.00 -1.81 1.78 -0.46 1.20 0.00 0.00 173.24 173.96 2iqy n ASN 140 N -3.26 1.04 -1.10 5.45 0.23 -1.26 -4.22 115.26 112.14 2iqy n ASN 140 Ca 0.08 -1.45 0.08 0.00 -0.53 0.00 0.00 54.58 52.76 2iqy n ASN 140 Cb 0.60 -0.03 0.26 0.00 -2.08 0.00 0.00 39.78 38.54 2iqy n ASN 140 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2iqy n LYS 141 N -0.15 3.09 -3.76 -3.83 4.76 -1.26 -4.45 118.16 112.56 2iqy n LYS 141 Ca 0.18 -2.53 -0.13 0.00 -2.87 0.00 0.00 58.31 52.97 2iqy n LYS 141 Cb 0.26 -1.58 -0.10 0.00 -1.84 0.00 0.00 35.03 31.77 2iqy n LYS 141 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2iqy s SER 142 N -1.09 -0.25 0.00 4.39 0.15 -1.25 -3.44 113.70 112.21 2iqy s SER 142 Ca 0.39 0.31 0.25 0.00 0.70 0.00 0.00 55.95 57.61 2iqy s SER 142 Cb 0.24 0.46 1.07 0.00 -1.71 0.00 0.00 66.02 66.07 2iqy s SER 142 CO 0.21 -0.31 1.74 0.61 1.20 0.00 0.00 173.24 176.69 2iqy n GLY 143 N 1.94 -0.12 3.77 9.45 0.00 -1.08 -4.81 105.19 114.35 2iqy n GLY 143 Ca -0.18 -0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2iqy n GLY 143 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2iqy s ASP 144 N -1.82 6.31 -1.90 1.61 1.01 -1.26 -2.76 116.67 117.86 2iqy s ASP 144 Ca 0.37 2.95 0.00 0.00 0.71 0.00 0.00 52.55 56.58 2iqy s ASP 144 Cb 0.19 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2iqy s ASP 144 CO 0.31 -0.88 0.00 0.59 0.21 0.00 0.00 175.17 175.39 2iqy n ASN 145 N 0.36 -5.31 -0.01 0.27 3.02 -1.26 -4.86 115.26 107.47 2iqy n ASN 145 Ca 0.02 0.44 -0.13 0.00 -0.03 0.00 0.00 54.58 54.88 2iqy n ASN 145 Cb 0.40 -4.38 -0.14 0.00 -0.61 0.00 0.00 39.78 35.05 2iqy n ASN 145 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2iqy n ARG 146 N -2.27 0.68 -2.06 3.52 5.12 -1.11 -4.92 116.66 115.62 2iqy n ARG 146 Ca -0.18 0.29 -0.28 0.00 -1.93 0.00 0.00 57.85 55.75 2iqy n ARG 146 Cb 0.61 -1.77 0.07 0.00 -1.16 0.00 0.00 32.46 30.22 2iqy n ARG 146 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2iqy s GLY 147 N -5.28 1.64 -1.36 -0.13 0.00 -1.26 -1.50 107.32 99.43 2iqy s GLY 147 Ca -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.85 2iqy s GLY 147 CO 0.81 -0.31 0.07 0.28 0.00 0.00 0.00 173.10 173.94 2iqy n LYS 148 N -3.08 -2.29 -2.92 2.90 4.76 -0.13 -4.89 118.16 112.51 2iqy n LYS 148 Ca 0.08 0.76 -0.36 0.00 -2.87 0.00 0.00 58.31 55.92 2iqy n LYS 148 Cb 0.60 -5.40 -0.06 0.00 -1.84 0.00 0.00 35.03 28.33 2iqy n LYS 148 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 2iqy s PHE 149 N -2.82 3.59 -0.27 2.13 5.36 0.10 -4.65 117.98 121.42 2iqy s PHE 149 Ca 0.04 1.59 -0.01 0.00 -0.96 0.00 0.00 56.93 57.59 2iqy s PHE 149 Cb -0.02 -2.78 0.09 0.00 -0.34 0.00 0.00 43.02 39.96 2iqy s PHE 149 CO 0.05 0.19 0.07 0.15 -1.46 0.00 0.00 175.22 174.22 2iqy s LYS 150 N -2.29 0.78 0.45 10.12 1.02 -1.26 0.06 119.74 128.61 2iqy s LYS 150 Ca 0.50 -0.89 0.14 0.00 0.02 0.00 0.00 55.97 55.74 2iqy s LYS 150 Cb -0.16 -2.07 1.06 0.00 -0.52 0.00 0.00 37.83 36.14 2iqy s LYS 150 CO 0.21 -0.86 2.01 -0.24 -0.92 0.00 0.00 175.35 175.55 2iqy h VAL 151 N 6.51 0.93 -0.53 3.17 3.04 -1.97 0.15 116.25 127.55 2iqy h VAL 151 Ca -0.15 -0.12 -0.09 0.00 -1.01 0.00 0.00 66.70 65.33 2iqy h VAL 151 Cb 1.05 0.54 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 2iqy h VAL 151 CO 0.43 0.06 -0.02 -0.08 -1.01 0.00 0.00 177.57 176.96 2iqy h GLU 152 N 0.36 0.91 -0.38 4.17 4.81 -1.96 0.70 114.58 123.18 2iqy h GLU 152 Ca 0.23 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2iqy h GLU 152 Cb 0.43 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2iqy h GLU 152 CO -0.05 0.91 -0.25 0.77 -0.73 0.00 0.00 179.01 179.66 2iqy h SER 153 N 0.84 0.88 -0.17 1.04 0.02 -1.38 -2.02 113.55 112.75 2iqy h SER 153 Ca 0.15 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2iqy h SER 153 Cb 0.52 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2iqy h SER 153 CO 0.03 1.12 0.10 0.15 -1.14 0.00 0.00 176.83 177.09 2iqy h PHE 154 N 0.64 0.23 -0.06 3.45 3.57 -0.88 -0.54 116.94 123.34 2iqy h PHE 154 Ca 0.08 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.44 2iqy h PHE 154 Cb 0.82 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 2iqy h PHE 154 CO 0.06 0.19 -0.57 0.07 -2.23 0.00 0.00 178.31 175.83 2iqy h ARG 155 N 0.19 0.20 -0.30 1.11 -0.00 -0.86 -2.16 114.38 112.56 2iqy h ARG 155 Ca 0.06 -0.13 -0.12 0.00 -0.00 0.00 0.00 59.98 59.80 2iqy h ARG 155 Cb 0.04 0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.01 2iqy h ARG 155 CO -0.01 0.71 -0.29 0.87 -0.00 0.00 0.00 179.97 181.25 2iqy h LYS 156 N 0.15 0.62 -0.89 0.08 1.57 -1.19 0.45 116.57 117.35 2iqy h LYS 156 Ca -0.00 -0.27 0.09 0.00 -1.87 0.00 0.00 60.65 58.60 2iqy h LYS 156 Cb 1.05 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.28 2iqy h LYS 156 CO 0.09 0.84 0.58 -0.22 -0.57 0.00 0.00 179.45 180.17 2iqy h LYS 157 N 0.53 0.90 -0.64 3.15 3.64 -0.46 -2.27 116.57 121.42 2iqy h LYS 157 Ca 0.07 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2iqy h LYS 157 Cb 0.78 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2iqy h LYS 157 CO 0.06 0.59 0.00 0.66 -2.27 0.00 0.00 179.45 178.50 2iqy n TYR 158 N -4.52 1.60 -1.96 1.91 4.01 -1.02 -4.94 117.16 112.25 2iqy n TYR 158 Ca 0.15 -0.63 -0.09 0.00 -0.16 0.00 0.00 57.90 57.16 2iqy n TYR 158 Cb 0.27 -0.29 -0.01 0.00 -0.31 0.00 0.00 39.34 39.00 2iqy n TYR 158 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 2iqy n HIS 159 N 1.06 -0.34 -3.56 -0.72 8.25 -0.85 -4.96 115.22 114.11 2iqy n HIS 159 Ca 0.26 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.41 2iqy n HIS 159 Cb 0.95 -2.22 -0.05 0.00 1.12 0.00 0.00 29.99 29.80 2iqy n HIS 159 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2iqy s LEU 160 N -2.56 4.21 0.00 2.41 1.43 0.10 -4.90 118.68 119.38 2iqy s LEU 160 Ca 0.00 0.70 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2iqy s LEU 160 Cb 0.00 -3.45 0.00 0.00 0.03 0.00 0.00 46.19 42.77 2iqy s LEU 160 CO 0.00 -0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.17 2iqy n GLY 161 N -0.12 0.59 3.60 -3.19 0.00 -1.26 -4.38 105.19 100.43 2iqy n GLY 161 Ca -0.01 -1.80 -0.37 0.00 0.00 0.00 0.00 46.02 43.84 2iqy n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2iqy n ALA 162 N -3.00 -0.11 -1.75 4.61 0.00 -1.26 -4.89 120.51 114.11 2iqy n ALA 162 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 53.44 52.98 2iqy n ALA 162 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 19.45 17.40 2iqy n ALA 162 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2iqy s PRO 163 N -2.97 3.03 0.12 0.00 0.04 -1.26 -4.80 135.00 129.16 2iqy s PRO 163 Ca 0.75 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2iqy s PRO 163 Cb -0.38 -2.12 -0.14 0.00 0.04 0.00 0.00 34.50 31.90 2iqy s PRO 163 CO 0.49 -1.23 1.28 0.28 0.04 0.00 0.00 177.00 177.86 2iqy h VAL 164 N 1.18 1.52 -3.73 -0.36 2.07 -1.18 -2.10 116.25 113.64 2iqy h VAL 164 Ca -0.51 -2.86 -0.14 0.00 0.82 0.00 0.00 66.70 64.01 2iqy h VAL 164 Cb 1.30 2.67 -0.19 0.00 -1.52 0.00 0.00 31.29 33.55 2iqy h VAL 164 CO 0.56 0.83 -0.54 0.00 0.02 0.00 0.00 177.57 178.44 2iqy s ALA 165 N -2.96 -0.12 0.10 1.67 0.00 -1.03 -0.30 121.76 119.11 2iqy s ALA 165 Ca -0.03 -0.41 -0.26 0.00 0.00 0.00 0.00 51.96 51.26 2iqy s ALA 165 Cb 0.09 0.18 0.08 0.00 0.00 0.00 0.00 23.12 23.47 2iqy s ALA 165 CO 0.85 -0.25 0.78 0.20 0.00 0.00 0.00 175.76 177.34 2iqy s GLY 166 N -1.75 -0.45 0.30 0.00 0.00 -0.82 -0.80 107.32 103.80 2iqy s GLY 166 Ca -0.10 0.59 -0.11 0.00 0.00 0.00 0.00 44.72 45.10 2iqy s GLY 166 CO -0.02 0.19 0.60 -0.37 0.00 0.00 0.00 173.10 173.50 2iqy n THR 167 N -0.34 0.00 -3.72 0.90 5.66 -0.24 -1.38 114.28 115.15 2iqy n THR 167 Ca -0.11 -0.80 -0.12 0.00 -3.05 0.00 0.00 64.05 59.98 2iqy n THR 167 Cb 0.62 0.77 -0.11 0.00 -1.55 0.00 0.00 70.33 70.07 2iqy n THR 167 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2iqy s PHE 169 N 0.75 2.14 0.13 0.00 -0.12 -0.52 -0.08 117.98 120.28 2iqy s PHE 169 Ca -0.04 -0.39 0.06 0.00 -0.05 0.00 0.00 56.93 56.51 2iqy s PHE 169 Cb -0.05 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.29 2iqy s PHE 169 CO -0.05 0.53 -0.01 -0.65 -0.05 0.00 0.00 175.22 174.99 2iqy s GLN 170 N -3.09 2.44 -0.01 1.99 -0.21 0.40 -0.16 119.66 121.02 2iqy s GLN 170 Ca 0.23 -0.98 -0.22 0.00 0.02 0.00 0.00 55.36 54.40 2iqy s GLN 170 Cb -0.06 -2.43 0.05 0.00 1.00 0.00 0.00 33.01 31.57 2iqy s GLN 170 CO 0.11 0.50 0.49 0.00 -2.12 0.00 0.00 175.29 174.26 2iqy s ALA 171 N -1.50 -1.24 0.38 6.09 0.00 -0.72 -1.04 121.76 123.73 2iqy s ALA 171 Ca 0.26 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.98 2iqy s ALA 171 Cb -0.10 0.12 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2iqy s ALA 171 CO 0.18 -0.36 0.08 -1.83 0.00 0.00 0.00 175.76 173.83 2iqy s GLU 172 N -1.57 1.83 0.48 0.00 -1.05 -1.26 -0.82 118.70 116.31 2iqy s GLU 172 Ca -0.10 -2.08 -0.23 0.00 -0.15 0.00 0.00 54.97 52.40 2iqy s GLU 172 Cb -0.02 -0.86 -0.08 0.00 -0.44 0.00 0.00 34.13 32.73 2iqy s GLU 172 CO 0.05 -0.32 1.17 1.87 0.95 0.00 0.00 175.26 178.98 2iqy n TRP 173 N -0.85 1.70 -4.02 4.83 -0.00 -1.25 -4.32 117.44 113.53 2iqy n TRP 173 Ca -0.06 0.49 -0.12 0.00 -0.00 0.00 0.00 57.50 57.81 2iqy n TRP 173 Cb 0.66 -2.30 -0.03 0.00 -0.00 0.00 0.00 31.31 29.64 2iqy n TRP 173 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 177.69 177.29 2iqy n ASP 174 N -0.13 -0.84 0.00 5.87 5.68 -1.26 -4.96 116.55 120.90 2iqy n ASP 174 Ca 0.09 -2.47 0.05 0.00 -0.50 0.00 0.00 54.79 51.97 2iqy n ASP 174 Cb 0.42 1.66 0.31 0.00 -1.14 0.00 0.00 41.12 42.37 2iqy n ASP 174 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2iqy n ASP 175 N -1.85 0.00 0.13 -1.12 4.64 -1.26 -1.26 116.55 115.83 2iqy n ASP 175 Ca 0.02 -1.34 0.12 0.00 -1.38 0.00 0.00 54.79 52.21 2iqy n ASP 175 Cb 0.44 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.56 2iqy n ASP 175 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 2iqy h SER 176 N 0.00 0.00 -0.61 1.67 4.64 -1.97 -3.41 113.55 113.88 2iqy h SER 176 Ca 0.00 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.28 2iqy h SER 176 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2iqy h SER 176 CO 0.00 0.00 0.25 0.58 -0.87 0.00 0.00 176.83 176.80 2iqy h VAL 177 N 0.00 1.23 -0.77 0.95 2.07 -1.53 -2.24 116.25 115.95 2iqy h VAL 177 Ca 0.00 -0.69 0.09 0.00 0.82 0.00 0.00 66.70 66.92 2iqy h VAL 177 Cb 1.00 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 2iqy h VAL 177 CO 0.00 0.27 0.50 -0.65 0.02 0.00 0.00 177.57 177.72 2iqy h PRO 178 N 0.84 0.67 -0.10 1.57 0.11 -1.79 -0.02 132.00 133.29 2iqy h PRO 178 Ca 0.20 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.14 2iqy h PRO 178 Cb 0.18 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2iqy h PRO 178 CO -0.02 0.45 -0.52 0.87 -0.21 0.00 0.00 178.00 178.57 2iqy h LYS 179 N 0.69 0.27 -0.46 1.05 1.57 -1.70 -0.33 116.57 117.67 2iqy h LYS 179 Ca 0.35 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.85 2iqy h LYS 179 Cb 0.45 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 2iqy h LYS 179 CO -0.13 0.73 -0.20 1.25 -0.57 0.00 0.00 179.45 180.53 2iqy h LEU 180 N 0.22 0.95 -0.68 2.94 5.85 -0.61 -0.46 115.31 123.52 2iqy h LEU 180 Ca 0.01 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 2iqy h LEU 180 Cb 0.98 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 2iqy h LEU 180 CO 0.08 1.12 0.10 0.45 -0.34 0.00 0.00 178.44 179.85 2iqy h HIS 181 N 0.81 1.20 -0.52 1.25 3.86 -0.90 -1.94 115.15 118.91 2iqy h HIS 181 Ca 0.11 -0.17 0.02 0.00 -1.16 0.00 0.00 60.37 59.17 2iqy h HIS 181 Cb 0.76 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 2iqy h HIS 181 CO 0.05 1.00 0.32 -0.44 0.86 0.00 0.00 177.93 179.72 2iqy h ASP 182 N 1.05 0.54 -0.74 2.45 3.32 -0.80 -1.00 116.42 121.24 2iqy h ASP 182 Ca 0.20 -0.00 0.08 0.00 0.02 0.00 0.00 57.03 57.33 2iqy h ASP 182 Cb 0.45 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.82 2iqy h ASP 182 CO 0.01 0.39 0.41 -0.61 -1.72 0.00 0.00 179.24 177.72 2iqy h GLN 183 N 0.65 0.70 0.00 3.56 4.15 -0.87 -1.03 115.11 122.28 2iqy h GLN 183 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.58 2iqy h GLN 183 Cb -0.02 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.51 2iqy h GLN 183 CO -0.07 0.46 0.00 -0.07 -1.93 0.00 0.00 178.83 177.22 2iqy h LEU 184 N 0.72 0.00 -1.11 -2.39 3.38 -0.62 -1.94 115.31 113.35 2iqy h LEU 184 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2iqy h LEU 184 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2iqy h LEU 184 CO -0.22 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.31 2iqy n ALA 185 N -1.97 2.54 -0.75 1.53 0.00 -0.45 -2.63 120.51 118.78 2iqy n ALA 185 Ca 0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2iqy n ALA 185 Cb 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2iqy n ALA 185 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2iqy n GLY 186 N 1.17 0.59 0.65 0.00 0.00 -0.73 -5.06 105.19 101.81 2iqy n GLY 186 Ca 0.18 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 46.02 2iqy n GLY 186 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60