#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qik h GLU 5 N 0.00 0.00 -0.03 -1.46 4.81 -2.03 -1.28 114.58 114.58 1qik h GLU 5 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qik h GLU 5 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1qik h GLU 5 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1qik n LEU 6 N -4.39 1.18 -4.42 1.64 4.77 -1.26 -4.78 117.00 109.73 1qik n LEU 6 Ca -0.02 -0.41 -0.34 0.00 -0.03 0.00 0.00 56.01 55.21 1qik n LEU 6 Cb 0.13 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.07 1qik n LEU 6 CO 0.33 0.21 -0.38 -0.22 -1.33 0.00 0.00 177.39 176.00 1qik s LEU 7 N -1.92 3.06 -0.04 2.23 2.96 -0.49 0.01 118.68 124.49 1qik s LEU 7 Ca 0.39 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1qik s LEU 7 Cb 0.20 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1qik s LEU 7 CO 0.33 0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.66 1qik s VAL 8 N 0.72 0.97 -0.47 1.68 1.01 -0.50 -4.74 120.40 119.07 1qik s VAL 8 Ca -0.02 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 1qik s VAL 8 Cb -0.15 -0.86 0.11 0.00 0.00 0.00 0.00 36.38 35.48 1qik s VAL 8 CO 0.02 0.30 0.36 0.21 0.00 0.00 0.00 175.10 175.99 1qik s ASN 9 N 0.29 5.82 0.72 3.32 2.47 -1.26 -0.34 114.94 125.95 1qik s ASN 9 Ca -0.06 -1.76 -0.01 0.00 0.42 0.00 0.00 52.86 51.45 1qik s ASN 9 Cb -0.11 -2.06 0.13 0.00 -1.45 0.00 0.00 41.25 37.76 1qik s ASN 9 CO 0.01 -0.69 0.99 0.42 -3.72 0.00 0.00 177.10 174.11 1qik s THR 10 N 1.44 2.13 -1.17 -5.21 -4.23 -0.50 -4.97 115.64 103.13 1qik s THR 10 Ca 0.04 -0.60 0.23 0.00 -1.18 0.00 0.00 61.69 60.19 1qik s THR 10 Cb -0.26 -2.53 0.28 0.00 1.34 0.00 0.00 72.50 71.33 1qik s THR 10 CO 0.01 0.00 1.75 0.29 -0.54 0.00 0.00 174.62 176.14 1qik n LYS 11 N -2.83 0.14 -0.00 3.99 5.02 -1.26 -2.59 118.16 120.63 1qik n LYS 11 Ca 0.15 0.09 0.09 0.00 -2.02 0.00 0.00 58.31 56.61 1qik n LYS 11 Cb 0.61 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 1qik n LYS 11 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qik n SER 12 N -1.41 0.84 0.00 4.39 7.64 -1.26 -4.94 113.62 118.88 1qik n SER 12 Ca 0.08 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.37 1qik n SER 12 Cb 0.24 1.29 0.00 0.00 -1.01 0.00 0.00 64.21 64.73 1qik n SER 12 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qik n GLY 13 N 1.44 0.33 3.83 0.23 0.00 -1.07 -1.23 105.19 108.71 1qik n GLY 13 Ca 0.01 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 1qik n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qik s LYS 14 N -1.21 4.18 -0.05 1.61 1.02 -1.25 -1.41 119.74 122.64 1qik s LYS 14 Ca 0.00 0.92 0.01 0.00 0.02 0.00 0.00 55.97 56.91 1qik s LYS 14 Cb 0.00 -2.48 0.02 0.00 -0.52 0.00 0.00 37.83 34.85 1qik s LYS 14 CO 0.00 0.16 -0.04 0.08 -0.92 0.00 0.00 175.35 174.63 1qik s VAL 15 N -1.91 0.53 -0.39 3.17 1.01 0.54 -0.44 120.40 122.91 1qik s VAL 15 Ca 0.54 -0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.30 1qik s VAL 15 Cb -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1qik s VAL 15 CO 0.17 0.23 0.24 -0.32 0.00 0.00 0.00 175.10 175.43 1qik s MET 16 N 1.06 2.90 0.00 2.72 1.75 0.16 -1.40 119.30 126.49 1qik s MET 16 Ca -0.09 -1.04 0.00 0.00 -1.25 0.00 0.00 55.69 53.31 1qik s MET 16 Cb -0.14 -3.82 0.00 0.00 2.84 0.00 0.00 34.83 33.71 1qik s MET 16 CO -0.01 -0.71 0.00 0.41 -0.65 0.00 0.00 175.02 174.07 1qik n GLY 17 N 5.06 0.53 3.09 2.11 0.00 0.10 -0.52 105.19 115.56 1qik n GLY 17 Ca -0.12 -1.91 -0.12 0.00 0.00 0.00 0.00 46.02 43.88 1qik n GLY 17 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1qik s THR 18 N 0.23 0.54 -0.10 2.61 -1.32 -0.03 -4.79 115.64 112.78 1qik s THR 18 Ca 0.00 -1.35 -0.19 0.00 -1.21 0.00 0.00 61.69 58.95 1qik s THR 18 Cb 0.00 -0.93 -0.04 0.00 -1.51 0.00 0.00 72.50 70.02 1qik s THR 18 CO 0.00 -0.56 0.51 -0.60 -2.21 0.00 0.00 174.62 171.76 1qik s ARG 19 N -2.32 4.34 0.03 7.08 3.52 -1.26 -0.25 118.95 130.08 1qik s ARG 19 Ca -0.03 0.53 0.07 0.00 -0.13 0.00 0.00 55.73 56.16 1qik s ARG 19 Cb -0.05 -3.42 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1qik s ARG 19 CO -0.02 0.18 -0.20 0.14 -0.81 0.00 0.00 175.30 174.60 1qik s VAL 20 N 0.52 1.58 0.29 7.11 -7.23 0.65 -4.96 120.40 118.36 1qik s VAL 20 Ca 0.28 -1.12 -0.27 0.00 -1.81 0.00 0.00 61.98 59.06 1qik s VAL 20 Cb -0.16 -1.37 -0.09 0.00 0.56 0.00 0.00 36.38 35.32 1qik s VAL 20 CO 0.12 0.21 0.92 -2.16 -0.31 0.00 0.00 175.10 173.89 1qik s PRO 21 N -1.07 4.65 -0.23 4.82 0.04 -1.26 -1.32 135.00 140.62 1qik s PRO 21 Ca 0.07 1.35 -0.09 0.00 0.04 0.00 0.00 61.00 62.37 1qik s PRO 21 Cb -0.08 -2.97 0.10 0.00 0.04 0.00 0.00 34.50 31.58 1qik s PRO 21 CO 0.01 0.37 0.51 0.54 0.04 0.00 0.00 177.00 178.48 1qik s VAL 22 N -1.46 -0.69 -1.52 -0.36 0.11 -0.42 -4.93 120.40 111.12 1qik s VAL 22 Ca 0.46 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.54 1qik s VAL 22 Cb -0.21 -0.79 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 1qik s VAL 22 CO 0.26 0.04 0.54 0.18 -3.33 0.00 0.00 175.10 172.80 1qik n LEU 23 N 5.28 -1.99 -3.55 2.54 4.77 -1.26 -1.89 117.00 120.89 1qik n LEU 23 Ca -0.11 -1.01 -0.26 0.00 -0.03 0.00 0.00 56.01 54.59 1qik n LEU 23 Cb 0.50 -2.16 0.05 0.00 -2.33 0.00 0.00 43.42 39.49 1qik n LEU 23 CO -0.01 0.39 -0.04 -1.54 -1.33 0.00 0.00 177.39 174.86 1qik n SER 24 N -2.86 -5.53 -0.90 -1.43 3.41 -1.26 -4.99 113.62 100.06 1qik n SER 24 Ca -0.17 -0.92 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 1qik n SER 24 Cb 0.61 -3.96 0.00 0.00 -0.26 0.00 0.00 64.21 60.61 1qik n SER 24 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1qik n SER 25 N -2.86 0.00 -3.88 4.04 2.88 -0.79 -5.20 113.62 107.81 1qik n SER 25 Ca -0.10 -0.90 -0.11 0.00 -1.33 0.00 0.00 58.87 56.44 1qik n SER 25 Cb 0.60 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 1qik n SER 25 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 1qik s HIS 26 N -5.92 0.09 0.16 0.66 3.76 -1.26 -1.30 115.29 111.47 1qik s HIS 26 Ca 0.00 -0.26 -0.04 0.00 -0.15 0.00 0.00 55.06 54.60 1qik s HIS 26 Cb 0.00 -0.07 -0.03 0.00 1.11 0.00 0.00 32.58 33.59 1qik s HIS 26 CO 0.00 -0.34 0.17 0.96 -0.85 0.00 0.00 174.74 174.68 1qik s ILE 27 N -1.97 0.07 0.26 0.60 -4.36 -0.44 -4.44 121.20 110.92 1qik s ILE 27 Ca -0.10 -1.72 -0.07 0.00 -0.26 0.00 0.00 60.65 58.50 1qik s ILE 27 Cb -0.04 -2.05 -0.06 0.00 1.25 0.00 0.00 42.46 41.56 1qik s ILE 27 CO -0.01 -0.32 0.54 -0.44 0.24 0.00 0.00 174.94 174.95 1qik s SER 28 N -3.04 6.53 -0.09 4.36 0.01 -0.41 -0.25 113.70 120.81 1qik s SER 28 Ca 0.24 0.80 -0.04 0.00 1.31 0.00 0.00 55.95 58.26 1qik s SER 28 Cb 0.06 -2.18 0.05 0.00 0.21 0.00 0.00 66.02 64.15 1qik s SER 28 CO 0.03 -0.13 0.19 0.00 0.41 0.00 0.00 173.24 173.74 1qik s ALA 29 N -1.95 -0.31 -0.37 1.44 0.00 0.65 -1.66 121.76 119.55 1qik s ALA 29 Ca 0.45 0.72 -0.04 0.00 0.00 0.00 0.00 51.96 53.10 1qik s ALA 29 Cb -0.11 -0.72 0.08 0.00 0.00 0.00 0.00 23.12 22.37 1qik s ALA 29 CO 0.26 -0.41 0.15 -0.06 0.00 0.00 0.00 175.76 175.70 1qik s PHE 30 N 1.85 3.43 -0.08 0.00 0.40 0.11 -0.85 117.98 122.85 1qik s PHE 30 Ca -0.03 -2.04 -0.02 0.00 -0.60 0.00 0.00 56.93 54.25 1qik s PHE 30 Cb -0.12 -2.79 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1qik s PHE 30 CO -0.07 -0.89 0.01 -0.51 0.70 0.00 0.00 175.22 174.47 1qik s LEU 31 N 1.24 3.62 -0.30 -0.37 1.43 0.14 -0.54 118.68 123.90 1qik s LEU 31 Ca 0.03 0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1qik s LEU 31 Cb -0.22 -1.86 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1qik s LEU 31 CO -0.02 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.54 1qik n GLY 32 N 2.04 0.29 3.72 -3.19 0.00 -1.07 -3.87 105.19 103.09 1qik n GLY 32 Ca -0.18 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 1qik n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qik s ILE 33 N -2.16 3.81 0.34 -0.61 1.01 -0.40 -4.72 121.20 118.48 1qik s ILE 33 Ca 0.00 1.31 -0.24 0.00 0.00 0.00 0.00 60.65 61.72 1qik s ILE 33 Cb 0.00 -3.84 -0.10 0.00 0.01 0.00 0.00 42.46 38.53 1qik s ILE 33 CO 0.00 0.11 0.92 -2.16 0.00 0.00 0.00 174.94 173.81 1qik s PRO 34 N 0.99 4.44 0.00 2.79 0.04 -1.26 -0.03 135.00 141.96 1qik s PRO 34 Ca 0.60 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1qik s PRO 34 Cb -0.32 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.59 1qik s PRO 34 CO 0.30 0.20 0.29 1.97 0.04 0.00 0.00 177.00 179.81 1qik n PHE 35 N 0.22 0.00 -3.76 0.56 1.16 -1.19 -4.91 117.46 109.55 1qik n PHE 35 Ca 0.03 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.51 1qik n PHE 35 Cb 0.51 0.00 -0.04 0.00 -1.61 0.00 0.00 39.48 38.34 1qik n PHE 35 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1qik s ALA 36 N -0.03 -0.77 0.29 1.98 0.00 -1.26 -3.46 121.76 118.53 1qik s ALA 36 Ca 0.00 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.37 1qik s ALA 36 Cb 0.00 0.82 -0.09 0.00 0.00 0.00 0.00 23.12 23.85 1qik s ALA 36 CO 0.00 -0.74 1.01 -1.21 0.00 0.00 0.00 175.76 174.81 1qik s GLU 37 N -3.88 4.63 -0.29 0.00 0.41 -0.08 -4.48 118.70 115.01 1qik s GLU 37 Ca 0.09 1.56 -0.38 0.00 -0.41 0.00 0.00 54.97 55.83 1qik s GLU 37 Cb 0.00 -3.04 -0.14 0.00 -1.78 0.00 0.00 34.13 29.18 1qik s GLU 37 CO -0.04 0.27 1.93 -2.30 -0.49 0.00 0.00 175.26 174.63 1qik n PRO 38 N 0.96 1.20 -0.42 0.39 -0.02 -1.26 -4.69 135.00 131.15 1qik n PRO 38 Ca 0.00 0.41 -0.02 0.00 -2.02 0.00 0.00 63.50 61.86 1qik n PRO 38 Cb 0.47 -2.26 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1qik n PRO 38 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1qik n PRO 39 N 6.58 0.85 -1.93 0.52 -0.04 -1.26 -4.86 135.00 134.85 1qik n PRO 39 Ca 0.32 -0.20 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1qik n PRO 39 Cb 0.17 -1.37 0.06 0.00 -0.04 0.00 0.00 33.50 32.31 1qik n PRO 39 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1qik n VAL 40 N 1.98 0.00 0.00 0.52 0.24 -1.26 -3.46 118.33 116.35 1qik n VAL 40 Ca 0.09 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.37 1qik n VAL 40 Cb 0.41 -0.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.85 1qik n VAL 40 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1qik n GLY 41 N 0.67 2.95 0.00 7.63 0.00 -1.26 0.04 105.19 115.23 1qik n GLY 41 Ca 0.10 -0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1qik n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qik n ASN 42 N 2.54 0.00 -0.13 1.61 4.13 -1.26 -2.12 115.26 120.03 1qik n ASN 42 Ca 0.00 -0.27 0.13 0.00 1.68 0.00 0.00 54.58 56.11 1qik n ASN 42 Cb 0.00 -0.09 0.36 0.00 -1.54 0.00 0.00 39.78 38.51 1qik n ASN 42 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1qik n MET 43 N -1.09 0.48 -1.73 3.52 2.81 0.11 -4.82 117.12 116.40 1qik n MET 43 Ca 0.09 -0.27 -0.41 0.00 -1.81 0.00 0.00 57.70 55.30 1qik n MET 43 Cb 0.07 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 1qik n MET 43 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 1qik n ARG 44 N -1.03 2.28 -0.20 0.03 0.63 -0.90 -1.31 116.66 116.16 1qik n ARG 44 Ca 0.10 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 1qik n ARG 44 Cb 0.34 -2.49 0.00 0.00 0.45 0.00 0.00 32.46 30.76 1qik n ARG 44 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1qik n PHE 45 N 0.19 0.00 -3.13 -0.14 3.72 -1.26 -4.89 117.46 111.95 1qik n PHE 45 Ca 0.04 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 57.15 1qik n PHE 45 Cb 0.38 -0.79 -0.03 0.00 -0.94 0.00 0.00 39.48 38.10 1qik n PHE 45 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1qik s ARG 46 N -0.21 3.68 0.53 -1.08 3.52 -0.43 -4.00 118.95 120.96 1qik s ARG 46 Ca 0.00 0.18 -0.22 0.00 -0.13 0.00 0.00 55.73 55.56 1qik s ARG 46 Cb 0.00 -2.54 -0.06 0.00 -1.56 0.00 0.00 34.95 30.79 1qik s ARG 46 CO 0.00 0.10 1.27 0.54 -0.81 0.00 0.00 175.30 176.40 1qik n ARG 47 N -1.16 1.58 -2.29 5.12 1.74 -1.26 -4.95 116.66 115.44 1qik n ARG 47 Ca -0.00 0.58 -0.35 0.00 -0.77 0.00 0.00 57.85 57.30 1qik n ARG 47 Cb 0.54 -2.46 -0.00 0.00 -1.02 0.00 0.00 32.46 29.52 1qik n ARG 47 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1qik s PRO 48 N -2.73 3.50 -0.01 5.56 0.04 -1.26 -5.05 135.00 135.05 1qik s PRO 48 Ca 0.71 1.63 0.06 0.00 0.04 0.00 0.00 61.00 63.43 1qik s PRO 48 Cb -0.44 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 31.96 1qik s PRO 48 CO 0.50 -0.73 -0.18 -1.21 0.04 0.00 0.00 177.00 175.42 1qik s GLU 49 N -3.12 2.25 0.23 4.56 0.41 -1.26 -5.02 118.70 116.74 1qik s GLU 49 Ca 0.70 -0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 54.10 1qik s GLU 49 Cb -0.24 -2.23 -0.15 0.00 -1.78 0.00 0.00 34.13 29.73 1qik s GLU 49 CO 0.28 0.58 1.17 -2.30 -0.49 0.00 0.00 175.26 174.50 1qik n PRO 50 N 2.07 1.42 -2.00 0.39 -0.02 -1.26 -0.90 135.00 134.69 1qik n PRO 50 Ca -0.17 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.40 1qik n PRO 50 Cb 0.52 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 1qik n PRO 50 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1qik s LYS 51 N -0.77 4.25 0.23 -0.52 2.47 -1.22 -4.31 119.74 119.86 1qik s LYS 51 Ca 0.67 2.28 -0.30 0.00 -1.56 0.00 0.00 55.97 57.07 1qik s LYS 51 Cb -0.76 -3.17 -0.09 0.00 -1.46 0.00 0.00 37.83 32.35 1qik s LYS 51 CO 0.54 -0.54 1.29 0.15 0.16 0.00 0.00 175.35 176.95 1qik s LYS 52 N 0.90 4.41 0.81 4.03 1.02 -1.26 -4.93 119.74 124.73 1qik s LYS 52 Ca 0.67 2.06 -0.15 0.00 0.02 0.00 0.00 55.97 58.57 1qik s LYS 52 Cb -0.42 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 33.70 1qik s LYS 52 CO 0.33 -0.19 0.42 -2.30 -0.92 0.00 0.00 175.35 172.68 1qik n PRO 53 N 2.12 0.08 -4.16 -1.68 -0.02 -1.26 -5.02 135.00 125.06 1qik n PRO 53 Ca 0.04 0.07 -0.16 0.00 -2.02 0.00 0.00 63.50 61.43 1qik n PRO 53 Cb 0.43 -1.79 -0.12 0.00 -0.02 0.00 0.00 33.50 31.99 1qik n PRO 53 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qik s TRP 54 N -2.09 0.90 0.36 6.00 -2.14 -0.36 -5.03 118.94 116.58 1qik s TRP 54 Ca 0.61 -0.42 0.00 0.00 2.66 0.00 0.00 56.10 58.96 1qik s TRP 54 Cb -0.29 -0.53 -0.03 0.00 -3.10 0.00 0.00 33.47 29.52 1qik s TRP 54 CO 0.63 -0.02 0.57 -1.12 -2.66 0.00 0.00 176.95 174.35 1qik s SER 55 N -1.38 6.25 0.00 -2.66 0.01 -1.26 -4.45 113.70 110.21 1qik s SER 55 Ca -0.04 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1qik s SER 55 Cb -0.09 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.16 1qik s SER 55 CO 0.01 -0.34 0.00 0.61 0.41 0.00 0.00 173.24 173.93 1qik n GLY 56 N -1.83 -2.13 3.59 3.44 0.00 -1.26 -4.87 105.19 102.13 1qik n GLY 56 Ca -0.04 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 1qik n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qik s VAL 57 N -0.16 4.11 -0.10 1.61 1.01 -1.26 -3.75 120.40 121.86 1qik s VAL 57 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 61.98 61.46 1qik s VAL 57 Cb 0.00 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 1qik s VAL 57 CO 0.00 0.54 0.62 0.86 0.00 0.00 0.00 175.10 177.13 1qik s TRP 58 N -0.24 3.53 -0.62 5.22 -0.11 0.42 -4.86 118.94 122.27 1qik s TRP 58 Ca 0.05 1.10 -0.28 0.00 1.22 0.00 0.00 56.10 58.19 1qik s TRP 58 Cb -0.13 -2.73 0.02 0.00 -1.50 0.00 0.00 33.47 29.14 1qik s TRP 58 CO 0.02 0.07 1.28 1.21 -4.62 0.00 0.00 176.95 174.92 1qik s ASN 59 N 0.80 6.27 -0.62 5.86 3.84 -1.26 0.37 114.94 130.19 1qik s ASN 59 Ca 0.33 0.00 0.04 0.00 0.21 0.00 0.00 52.86 53.44 1qik s ASN 59 Cb -0.17 -2.55 0.36 0.00 -0.55 0.00 0.00 41.25 38.34 1qik s ASN 59 CO 0.15 -1.65 1.16 0.00 -2.79 0.00 0.00 177.10 173.96 1qik n ALA 60 N 9.06 5.05 0.39 1.71 0.00 0.32 -4.71 120.51 132.33 1qik n ALA 60 Ca 0.08 -4.58 0.04 0.00 0.00 0.00 0.00 53.44 48.99 1qik n ALA 60 Cb 0.49 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1qik n ALA 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1qik n SER 61 N -0.29 1.41 -4.02 0.00 3.41 -1.25 0.29 113.62 113.16 1qik n SER 61 Ca 0.36 -1.20 -0.14 0.00 -0.26 0.00 0.00 58.87 57.63 1qik n SER 61 Cb 0.43 0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.52 1qik n SER 61 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1qik s THR 62 N -1.05 0.48 0.67 6.66 -4.23 -1.26 -4.87 115.64 112.04 1qik s THR 62 Ca 0.09 -0.79 -0.17 0.00 -1.18 0.00 0.00 61.69 59.64 1qik s THR 62 Cb 0.07 -0.51 -0.03 0.00 1.34 0.00 0.00 72.50 73.37 1qik s THR 62 CO 0.18 -0.22 0.80 -1.22 -0.54 0.00 0.00 174.62 173.61 1qik n TYR 63 N 1.96 0.16 -1.28 3.99 4.01 -1.26 -4.12 117.16 120.62 1qik n TYR 63 Ca -0.19 0.40 -0.03 0.00 -0.16 0.00 0.00 57.90 57.91 1qik n TYR 63 Cb 0.56 -2.04 0.02 0.00 -0.31 0.00 0.00 39.34 37.57 1qik n TYR 63 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1qik n PRO 64 N -1.13 -0.03 -2.34 -0.72 -0.04 -1.26 -4.88 135.00 124.61 1qik n PRO 64 Ca 0.12 -0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.11 1qik n PRO 64 Cb 0.49 -0.13 0.06 0.00 -0.04 0.00 0.00 33.50 33.87 1qik n PRO 64 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1qik s ASN 65 N -1.49 5.02 0.02 3.54 0.01 -1.26 -4.87 114.94 115.90 1qik s ASN 65 Ca 0.08 0.37 -0.02 0.00 -0.71 0.00 0.00 52.86 52.58 1qik s ASN 65 Cb -0.00 -1.12 -0.04 0.00 0.41 0.00 0.00 41.25 40.50 1qik s ASN 65 CO 0.05 -1.42 0.19 0.20 -1.51 0.00 0.00 177.10 174.61 1qik s ASN 66 N -4.47 6.35 0.69 -1.22 0.02 -0.77 -4.80 114.94 110.75 1qik s ASN 66 Ca 0.59 0.31 -0.17 0.00 -1.02 0.00 0.00 52.86 52.57 1qik s ASN 66 Cb -0.11 -1.98 0.00 0.00 0.02 0.00 0.00 41.25 39.19 1qik s ASN 66 CO 0.43 0.23 1.10 0.00 0.02 0.00 0.00 177.10 178.88 1qik s GLN 68 N -3.37 4.20 0.30 0.00 -1.52 -1.23 -4.55 119.66 113.49 1qik s GLN 68 Ca 0.77 2.23 -0.07 0.00 -1.95 0.00 0.00 55.36 56.34 1qik s GLN 68 Cb -0.36 -3.79 -0.00 0.00 -0.22 0.00 0.00 33.01 28.64 1qik s GLN 68 CO 0.46 -0.77 0.46 1.14 -0.25 0.00 0.00 175.29 176.34 1qik s GLN 69 N 3.30 1.74 0.20 2.91 -2.07 -1.26 -4.70 119.66 119.78 1qik s GLN 69 Ca 0.73 -1.56 -0.29 0.00 -1.82 0.00 0.00 55.36 52.42 1qik s GLN 69 Cb -0.36 0.45 -0.08 0.00 -1.09 0.00 0.00 33.01 31.93 1qik s GLN 69 CO 0.31 -0.72 0.92 -0.47 -1.32 0.00 0.00 175.29 174.00 1qik s TYR 70 N -3.44 3.94 -0.09 9.60 5.04 -1.25 -5.05 117.35 126.11 1qik s TYR 70 Ca 0.28 1.85 0.03 0.00 -2.44 0.00 0.00 57.07 56.78 1qik s TYR 70 Cb -0.00 -2.96 -0.02 0.00 0.35 0.00 0.00 41.96 39.33 1qik s TYR 70 CO 0.15 0.42 -0.17 0.08 -1.34 0.00 0.00 175.55 174.69 1qik s VAL 71 N -0.96 2.76 -0.04 3.14 1.01 -1.26 -4.88 120.40 120.17 1qik s VAL 71 Ca 0.41 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.30 1qik s VAL 71 Cb -0.25 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1qik s VAL 71 CO 0.31 0.56 1.06 -0.62 0.00 0.00 0.00 175.10 176.40 1qik s ASP 72 N -0.05 7.24 -0.06 3.32 2.15 -1.26 -4.89 116.67 123.11 1qik s ASP 72 Ca -0.04 1.69 0.09 0.00 0.43 0.00 0.00 52.55 54.72 1qik s ASP 72 Cb -0.14 -2.56 0.14 0.00 -0.30 0.00 0.00 42.92 40.06 1qik s ASP 72 CO 0.04 -0.40 1.04 -0.62 -0.17 0.00 0.00 175.17 175.05 1qik n GLU 73 N 4.49 0.99 0.28 4.34 1.02 -1.26 -4.79 120.64 125.71 1qik n GLU 73 Ca 0.08 -1.80 0.14 0.00 -0.02 0.00 0.00 57.16 55.56 1qik n GLU 73 Cb 0.49 -1.05 0.82 0.00 -0.02 0.00 0.00 31.44 31.67 1qik n GLU 73 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1qik h GLN 74 N 0.00 0.00 -1.90 3.49 5.75 -2.01 -3.33 115.11 117.10 1qik h GLN 74 Ca 0.00 0.00 -0.54 0.00 -0.15 0.00 0.00 58.65 57.96 1qik h GLN 74 Cb 1.07 0.00 -0.37 0.00 1.07 0.00 0.00 27.48 29.25 1qik h GLN 74 CO 0.00 0.07 -1.04 1.19 -2.65 0.00 0.00 178.83 176.40 1qik n PHE 75 N -3.68 -0.70 -1.60 3.99 3.72 -1.26 -5.12 117.46 112.82 1qik n PHE 75 Ca -0.02 -3.37 -0.50 0.00 -0.05 0.00 0.00 57.45 53.50 1qik n PHE 75 Cb 0.18 -0.11 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 1qik n PHE 75 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 1qik n PRO 76 N 1.65 1.26 0.00 -1.08 -0.02 -1.25 -1.49 135.00 134.07 1qik n PRO 76 Ca 0.21 0.45 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1qik n PRO 76 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 1qik n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qik n GLY 77 N 2.40 1.93 3.59 -1.23 0.00 -1.26 -4.99 105.19 105.63 1qik n GLY 77 Ca 0.17 -0.34 -0.51 0.00 0.00 0.00 0.00 46.02 45.34 1qik n GLY 77 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1qik n PHE 78 N 0.00 1.99 -0.02 1.61 7.35 -0.56 -4.83 117.46 123.00 1qik n PHE 78 Ca 0.00 0.19 -0.00 0.00 -0.76 0.00 0.00 57.45 56.88 1qik n PHE 78 Cb 0.00 -2.58 0.29 0.00 0.35 0.00 0.00 39.48 37.54 1qik n PHE 78 CO 0.00 0.00 0.00 0.66 -0.76 0.00 0.00 176.76 176.66 1qik h SER 79 N 10.49 0.53 -1.09 -2.13 4.64 -1.94 -1.94 113.55 122.11 1qik h SER 79 Ca -0.40 -0.09 0.31 0.00 -0.47 0.00 0.00 61.79 61.14 1qik h SER 79 Cb 1.30 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 63.20 1qik h SER 79 CO 0.98 0.57 0.77 1.23 -0.87 0.00 0.00 176.83 179.51 1qik h GLY 80 N 0.83 0.12 0.00 -0.77 0.00 -1.95 -1.97 103.07 99.33 1qik h GLY 80 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.32 1qik h GLY 80 CO 0.00 -0.01 -1.47 -1.14 0.00 0.00 0.00 176.54 173.93 1qik n SER 81 N -4.25 3.25 0.23 0.19 3.41 -1.03 -4.62 113.62 110.80 1qik n SER 81 Ca 0.23 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 1qik n SER 81 Cb 1.13 0.77 0.42 0.00 -0.26 0.00 0.00 64.21 66.26 1qik n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qik h GLU 82 N 0.00 0.00 0.00 4.33 5.08 -1.10 -2.80 114.58 120.09 1qik h GLU 82 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1qik h GLU 82 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1qik h GLU 82 CO 0.01 0.16 0.00 0.00 -1.00 0.00 0.00 179.01 178.18 1qik n MET 83 N -3.25 0.33 -0.00 2.33 0.00 -0.76 -1.19 117.12 114.58 1qik n MET 83 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 57.70 57.74 1qik n MET 83 Cb 0.45 -1.42 -0.04 0.00 0.00 0.00 0.00 33.22 32.20 1qik n MET 83 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 175.97 176.88 1qik n TRP 84 N -0.92 0.00 -1.25 3.17 7.02 -1.06 -4.75 117.44 119.65 1qik n TRP 84 Ca 0.07 0.00 -0.31 0.00 -1.02 0.00 0.00 57.50 56.24 1qik n TRP 84 Cb 0.03 -0.12 0.10 0.00 -2.42 0.00 0.00 31.31 28.89 1qik n TRP 84 CO 0.00 0.00 0.00 -0.80 -2.02 0.00 0.00 177.69 174.87 1qik s ASN 85 N -2.60 4.42 0.27 -0.99 0.01 -0.34 -4.77 114.94 110.94 1qik s ASN 85 Ca -0.02 1.81 -0.30 0.00 -0.71 0.00 0.00 52.86 53.64 1qik s ASN 85 Cb 0.04 -2.50 -0.11 0.00 0.41 0.00 0.00 41.25 39.09 1qik s ASN 85 CO 0.23 -2.09 1.51 -2.84 -1.51 0.00 0.00 177.10 172.40 1qik s PRO 86 N -4.90 4.20 -0.16 -0.60 0.02 -1.26 -4.91 135.00 127.39 1qik s PRO 86 Ca 0.61 2.42 0.16 0.00 0.02 0.00 0.00 61.00 64.22 1qik s PRO 86 Cb -0.17 -3.07 0.67 0.00 0.02 0.00 0.00 34.50 31.94 1qik s PRO 86 CO 0.56 -0.51 1.58 0.27 -0.33 0.00 0.00 177.00 178.57 1qik n ASN 87 N 2.25 4.67 -4.07 2.53 0.23 -1.26 -4.97 115.26 114.64 1qik n ASN 87 Ca 0.07 -2.70 -0.10 0.00 -0.53 0.00 0.00 54.58 51.33 1qik n ASN 87 Cb 0.39 -0.57 -0.08 0.00 -2.08 0.00 0.00 39.78 37.44 1qik n ASN 87 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1qik s ARG 88 N -2.29 1.12 0.19 -3.83 1.81 -1.26 -5.10 118.95 109.59 1qik s ARG 88 Ca 0.47 -1.35 -0.33 0.00 -1.72 0.00 0.00 55.73 52.80 1qik s ARG 88 Cb 0.34 0.32 -0.13 0.00 -0.45 0.00 0.00 34.95 35.03 1qik s ARG 88 CO 0.17 -0.38 1.63 -1.91 -0.68 0.00 0.00 175.30 174.13 1qik n GLU 89 N -0.20 2.42 -3.00 3.54 4.07 -1.26 -4.49 120.64 121.72 1qik n GLU 89 Ca -0.05 0.87 -0.34 0.00 -0.06 0.00 0.00 57.16 57.59 1qik n GLU 89 Cb 0.64 -2.67 -0.06 0.00 -0.06 0.00 0.00 31.44 29.28 1qik n GLU 89 CO 0.00 0.00 0.00 -1.64 -0.06 0.00 0.00 177.13 175.43 1qik s MET 90 N 0.93 4.20 -0.20 5.31 -1.94 -1.26 -1.84 119.30 124.51 1qik s MET 90 Ca 0.76 0.92 -0.27 0.00 -1.71 0.00 0.00 55.69 55.40 1qik s MET 90 Cb -0.60 -2.54 0.08 0.00 2.01 0.00 0.00 34.83 33.78 1qik s MET 90 CO 0.36 0.19 0.75 0.45 -0.01 0.00 0.00 175.02 176.77 1qik s SER 91 N -2.00 -0.67 0.61 3.03 0.15 -0.25 -4.88 113.70 109.69 1qik s SER 91 Ca 0.53 1.11 0.41 0.00 0.70 0.00 0.00 55.95 58.69 1qik s SER 91 Cb -0.13 1.06 2.13 0.00 -1.71 0.00 0.00 66.02 67.38 1qik s SER 91 CO 0.18 -0.36 2.24 -0.33 1.20 0.00 0.00 173.24 176.17 1qik h GLU 92 N 4.17 0.00 -4.68 5.44 5.08 -1.94 -3.24 114.58 119.40 1qik h GLU 92 Ca -0.28 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.34 1qik h GLU 92 Cb 1.16 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.23 1qik h GLU 92 CO 0.17 0.00 1.37 -3.47 -1.00 0.00 0.00 179.01 176.08 1qik n ASP 93 N -2.99 5.23 -0.00 1.42 2.03 -1.26 -4.41 116.55 116.57 1qik n ASP 93 Ca -0.02 -2.98 0.04 0.00 0.52 0.00 0.00 54.79 52.34 1qik n ASP 93 Cb 0.11 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 38.89 1qik n ASP 93 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qik s LEU 95 N -3.15 2.90 0.17 0.00 1.43 -1.26 -4.78 118.68 113.98 1qik s LEU 95 Ca -0.01 -1.30 0.01 0.00 -1.03 0.00 0.00 54.13 51.79 1qik s LEU 95 Cb 0.05 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.64 1qik s LEU 95 CO 0.33 -3.47 0.03 -0.31 0.23 0.00 0.00 176.35 173.16 1qik s TYR 96 N 12.48 1.13 0.14 0.29 1.51 -1.26 -3.14 117.35 128.50 1qik s TYR 96 Ca 0.73 -1.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.70 1qik s TYR 96 Cb -0.03 -0.64 -0.04 0.00 -0.11 0.00 0.00 41.96 41.13 1qik s TYR 96 CO 0.12 -0.34 -0.06 -0.48 -1.11 0.00 0.00 175.55 173.68 1qik s LEU 97 N -3.15 2.42 -0.05 -1.29 0.05 0.95 -3.15 118.68 114.47 1qik s LEU 97 Ca 0.26 -1.05 0.06 0.00 0.05 0.00 0.00 54.13 53.44 1qik s LEU 97 Cb 0.07 -0.19 -0.01 0.00 -2.05 0.00 0.00 46.19 44.01 1qik s LEU 97 CO 0.05 -0.44 -0.23 0.20 -0.55 0.00 0.00 176.35 175.39 1qik s ASN 98 N -3.13 2.75 -0.10 1.48 0.01 -0.21 -1.27 114.94 114.46 1qik s ASN 98 Ca 0.17 -0.45 0.03 0.00 -0.71 0.00 0.00 52.86 51.90 1qik s ASN 98 Cb 0.04 -0.67 0.01 0.00 0.41 0.00 0.00 41.25 41.04 1qik s ASN 98 CO -0.00 0.23 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.00 1qik s ILE 99 N -0.18 1.67 -0.28 0.60 1.01 0.30 -0.97 121.20 123.33 1qik s ILE 99 Ca -0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.83 1qik s ILE 99 Cb -0.12 -1.48 0.03 0.00 0.01 0.00 0.00 42.46 40.89 1qik s ILE 99 CO 0.02 0.47 0.02 0.26 0.00 0.00 0.00 174.94 175.71 1qik s TRP 100 N 0.69 3.15 -0.09 3.97 0.51 0.29 -0.71 118.94 126.75 1qik s TRP 100 Ca -0.12 -1.41 0.01 0.00 -2.12 0.00 0.00 56.10 52.46 1qik s TRP 100 Cb -0.16 -2.16 -0.02 0.00 -0.81 0.00 0.00 33.47 30.32 1qik s TRP 100 CO 0.03 -0.69 -0.10 0.08 -0.51 0.00 0.00 176.95 175.75 1qik s VAL 101 N 1.38 3.35 1.21 4.03 1.01 -0.67 -1.72 120.40 128.99 1qik s VAL 101 Ca -0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 1qik s VAL 101 Cb -0.18 -2.37 0.28 0.00 0.00 0.00 0.00 36.38 34.11 1qik s VAL 101 CO -0.01 0.56 0.86 -2.65 0.00 0.00 0.00 175.10 173.87 1qik n PRO 102 N 2.75 -2.67 -3.70 2.72 -0.02 -1.26 -1.29 135.00 131.52 1qik n PRO 102 Ca -0.18 -0.76 -0.18 0.00 -2.02 0.00 0.00 63.50 60.37 1qik n PRO 102 Cb 0.53 -2.07 -0.17 0.00 -0.02 0.00 0.00 33.50 31.76 1qik n PRO 102 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1qik s SER 103 N -2.33 0.70 0.68 2.55 0.15 -1.26 -3.23 113.70 110.96 1qik s SER 103 Ca 0.67 0.13 -0.15 0.00 0.70 0.00 0.00 55.95 57.30 1qik s SER 103 Cb -0.23 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.06 1qik s SER 103 CO 0.65 -0.21 1.13 -2.16 1.20 0.00 0.00 173.24 173.85 1qik s PRO 104 N 1.83 2.63 0.18 5.44 0.04 -1.26 -4.99 135.00 138.87 1qik s PRO 104 Ca -0.00 1.47 -0.33 0.00 0.04 0.00 0.00 61.00 62.18 1qik s PRO 104 Cb -0.12 -1.92 -0.15 0.00 0.04 0.00 0.00 34.50 32.35 1qik s PRO 104 CO -0.04 -1.40 1.29 -2.13 0.04 0.00 0.00 177.00 174.76 1qik n ARG 105 N -2.52 1.51 -1.70 4.56 0.63 -1.20 -4.97 116.66 112.98 1qik n ARG 105 Ca 0.11 0.54 -0.29 0.00 -0.92 0.00 0.00 57.85 57.29 1qik n ARG 105 Cb 0.52 -2.12 0.10 0.00 0.45 0.00 0.00 32.46 31.41 1qik n ARG 105 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 1qik s PRO 106 N -0.21 1.80 -0.22 -0.14 0.02 -1.26 -5.01 135.00 129.98 1qik s PRO 106 Ca 0.73 0.33 -0.17 0.00 0.02 0.00 0.00 61.00 61.91 1qik s PRO 106 Cb -0.79 -1.91 -0.18 0.00 0.02 0.00 0.00 34.50 31.64 1qik s PRO 106 CO 0.50 -1.75 0.06 1.63 -0.33 0.00 0.00 177.00 177.11 1qik n LYS 107 N -3.46 0.60 -2.91 5.54 4.76 -1.26 -4.08 118.16 117.34 1qik n LYS 107 Ca 0.07 0.44 -0.14 0.00 -2.87 0.00 0.00 58.31 55.81 1qik n LYS 107 Cb 0.59 -1.67 0.01 0.00 -1.84 0.00 0.00 35.03 32.12 1qik n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1qik n SER 108 N -4.21 -1.80 -4.93 4.39 2.88 -1.07 -4.47 113.62 104.42 1qik n SER 108 Ca -0.39 -3.07 -0.22 0.00 -1.33 0.00 0.00 58.87 53.86 1qik n SER 108 Cb 0.80 0.93 0.05 0.00 -0.75 0.00 0.00 64.21 65.24 1qik n SER 108 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qik s THR 109 N 0.03 2.53 0.39 2.46 -1.32 0.36 -4.55 115.64 115.54 1qik s THR 109 Ca 0.33 -0.60 -0.26 0.00 -1.21 0.00 0.00 61.69 59.94 1qik s THR 109 Cb 0.20 -2.93 -0.09 0.00 -1.51 0.00 0.00 72.50 68.17 1qik s THR 109 CO -0.20 0.00 1.27 -0.89 -2.21 0.00 0.00 174.62 172.59 1qik s THR 110 N -2.88 2.78 -0.02 5.08 2.01 -1.26 -0.80 115.64 120.55 1qik s THR 110 Ca 0.59 0.71 0.04 0.00 0.31 0.00 0.00 61.69 63.34 1qik s THR 110 Cb -0.10 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1qik s THR 110 CO 0.40 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.63 1qik s VAL 111 N -1.27 3.27 -0.09 3.82 1.01 -1.01 -1.69 120.40 124.44 1qik s VAL 111 Ca 0.55 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.75 1qik s VAL 111 Cb -0.36 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.69 1qik s VAL 111 CO 0.47 0.49 -0.07 -0.04 0.00 0.00 0.00 175.10 175.96 1qik s MET 112 N -1.06 1.33 -0.24 2.72 -1.94 -0.73 -1.04 119.30 118.34 1qik s MET 112 Ca 0.14 -0.20 -0.06 0.00 -1.71 0.00 0.00 55.69 53.86 1qik s MET 112 Cb -0.11 -1.38 -0.01 0.00 2.01 0.00 0.00 34.83 35.34 1qik s MET 112 CO 0.03 -0.21 0.02 0.08 -0.01 0.00 0.00 175.02 174.93 1qik s VAL 113 N 1.52 3.84 -0.17 -6.03 1.01 0.86 -0.64 120.40 120.79 1qik s VAL 113 Ca 0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 61.98 61.47 1qik s VAL 113 Cb -0.13 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1qik s VAL 113 CO -0.05 0.34 0.26 0.86 0.00 0.00 0.00 175.10 176.51 1qik s TRP 114 N 1.54 3.45 -0.28 5.22 -0.11 0.48 -0.98 118.94 128.25 1qik s TRP 114 Ca 0.06 0.55 -0.00 0.00 1.22 0.00 0.00 56.10 57.92 1qik s TRP 114 Cb -0.15 -2.31 0.05 0.00 -1.50 0.00 0.00 33.47 29.56 1qik s TRP 114 CO 0.00 0.25 -0.04 0.42 -4.62 0.00 0.00 176.95 172.96 1qik s ILE 115 N 0.45 2.75 0.86 5.86 1.01 -0.74 -2.96 121.20 128.43 1qik s ILE 115 Ca 0.15 -1.42 -0.10 0.00 0.00 0.00 0.00 60.65 59.27 1qik s ILE 115 Cb -0.13 -2.57 0.11 0.00 0.01 0.00 0.00 42.46 39.89 1qik s ILE 115 CO 0.03 -0.06 1.12 -0.72 0.00 0.00 0.00 174.94 175.31 1qik s TYR 116 N 1.22 1.99 0.06 3.97 -0.85 -1.26 -3.81 117.35 118.67 1qik s TYR 116 Ca -0.06 1.69 0.01 0.00 -0.52 0.00 0.00 57.07 58.19 1qik s TYR 116 Cb -0.20 -3.23 0.01 0.00 0.38 0.00 0.00 41.96 38.93 1qik s TYR 116 CO -0.02 -2.44 0.06 0.41 -1.52 0.00 0.00 175.55 172.04 1qik n GLY 117 N -0.34 2.76 0.00 5.49 0.00 -1.19 -3.66 105.19 108.24 1qik n GLY 117 Ca 0.11 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1qik n GLY 117 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qik n GLY 118 N 4.24 -0.14 2.18 -0.02 0.00 -1.26 -4.35 105.19 105.85 1qik n GLY 118 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1qik n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qik n GLY 119 N 0.00 0.55 2.69 -0.02 0.00 -1.26 -2.39 105.19 104.76 1qik n GLY 119 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1qik n GLY 119 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qik n PHE 120 N -2.82 0.00 -0.19 1.61 3.72 -1.26 -4.75 117.46 113.77 1qik n PHE 120 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1qik n PHE 120 Cb 0.13 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.41 1qik n PHE 120 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 1qik n TYR 121 N -2.34 0.00 -3.83 1.38 0.18 -1.11 -0.73 117.16 110.70 1qik n TYR 121 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 1qik n TYR 121 Cb 0.30 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.23 1qik n TYR 121 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1qik s SER 122 N -0.14 -0.24 0.00 9.48 1.04 -1.01 -3.90 113.70 118.93 1qik s SER 122 Ca 0.00 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.82 1qik s SER 122 Cb 0.00 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1qik s SER 122 CO 0.00 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.62 1qik n GLY 123 N -0.41 4.58 3.15 7.32 0.00 -1.26 -3.98 105.19 114.59 1qik n GLY 123 Ca -0.06 -1.19 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 1qik n GLY 123 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qik s SER 124 N 0.00 0.07 0.15 1.61 0.01 -1.26 -4.60 113.70 109.67 1qik s SER 124 Ca 0.00 -0.37 0.21 0.00 1.31 0.00 0.00 55.95 57.10 1qik s SER 124 Cb 0.00 0.25 -0.06 0.00 0.21 0.00 0.00 66.02 66.42 1qik s SER 124 CO 0.00 -0.50 0.94 -1.54 0.41 0.00 0.00 173.24 172.55 1qik n SER 125 N 0.88 0.80 0.00 2.44 3.41 -1.26 -4.14 113.62 115.75 1qik n SER 125 Ca -0.20 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.85 1qik n SER 125 Cb 0.58 0.45 0.60 0.00 -0.26 0.00 0.00 64.21 65.59 1qik n SER 125 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1qik n THR 126 N -2.72 0.24 -1.56 6.66 -2.24 -1.26 -4.76 114.28 108.64 1qik n THR 126 Ca -0.03 0.06 -0.36 0.00 -2.27 0.00 0.00 64.05 61.44 1qik n THR 126 Cb 0.64 -0.66 0.08 0.00 -2.10 0.00 0.00 70.33 68.30 1qik n THR 126 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1qik n LEU 127 N -1.30 5.33 -0.06 3.22 4.77 -1.26 -4.92 117.00 122.79 1qik n LEU 127 Ca 0.11 0.76 -0.10 0.00 -0.03 0.00 0.00 56.01 56.76 1qik n LEU 127 Cb 0.20 -1.52 -0.03 0.00 -2.33 0.00 0.00 43.42 39.74 1qik n LEU 127 CO 0.19 -1.30 0.95 0.44 -1.33 0.00 0.00 177.39 176.34 1qik h ASP 128 N 0.15 0.28 0.00 -1.43 3.32 -1.90 -2.18 116.42 114.66 1qik h ASP 128 Ca -0.49 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.52 1qik h ASP 128 Cb 1.33 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1qik h ASP 128 CO 0.51 0.23 0.09 1.33 -1.72 0.00 0.00 179.24 179.68 1qik n VAL 129 N -4.90 1.07 -1.45 -1.35 0.24 -1.26 -1.66 118.33 109.02 1qik n VAL 129 Ca -0.03 0.69 -0.22 0.00 -2.04 0.00 0.00 64.34 62.75 1qik n VAL 129 Cb 0.04 -1.69 0.13 0.00 -1.47 0.00 0.00 33.84 30.85 1qik n VAL 129 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1qik n TYR 130 N -2.04 2.50 -2.72 6.34 4.01 -0.82 -4.75 117.16 119.68 1qik n TYR 130 Ca -0.01 -2.20 -0.43 0.00 -0.16 0.00 0.00 57.90 55.11 1qik n TYR 130 Cb 0.11 -0.88 -0.03 0.00 -0.31 0.00 0.00 39.34 38.23 1qik n TYR 130 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1qik s ASN 131 N -2.17 6.45 0.11 7.72 3.84 -0.66 -4.88 114.94 125.34 1qik s ASN 131 Ca 0.55 -0.00 0.18 0.00 0.21 0.00 0.00 52.86 53.80 1qik s ASN 131 Cb 0.46 -2.49 0.76 0.00 -0.55 0.00 0.00 41.25 39.43 1qik s ASN 131 CO 0.03 -1.27 1.56 0.61 -2.79 0.00 0.00 177.10 175.24 1qik n GLY 132 N 5.03 -1.10 0.29 1.21 0.00 -1.26 -3.68 105.19 105.68 1qik n GLY 132 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1qik n GLY 132 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1qik h LYS 133 N 0.00 0.90 -0.59 1.61 2.10 -1.93 0.15 116.57 118.81 1qik h LYS 133 Ca 0.00 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.58 1qik h LYS 133 Cb 0.29 -0.20 -0.03 0.00 -0.90 0.00 0.00 32.23 31.39 1qik h LYS 133 CO 0.00 0.60 0.32 1.88 -2.00 0.00 0.00 179.45 180.25 1qik h TYR 134 N 0.93 0.81 -0.10 0.07 0.05 -1.81 -0.41 116.97 116.51 1qik h TYR 134 Ca 0.31 -0.02 -0.07 0.00 0.05 0.00 0.00 58.73 59.00 1qik h TYR 134 Cb 0.05 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.53 1qik h TYR 134 CO -0.04 0.59 -0.23 1.25 -1.05 0.00 0.00 178.16 178.68 1qik h LEU 135 N 0.79 0.37 0.28 3.88 5.85 -1.61 -1.16 115.31 123.72 1qik h LEU 135 Ca 0.21 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1qik h LEU 135 Cb 0.05 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1qik h LEU 135 CO -0.03 0.88 -0.33 0.00 -0.34 0.00 0.00 178.44 178.62 1qik h ALA 136 N 0.50 -0.66 0.13 1.25 0.00 -0.64 -0.13 119.26 119.71 1qik h ALA 136 Ca -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1qik h ALA 136 Cb 0.83 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.07 1qik h ALA 136 CO 0.05 -0.91 -0.31 -0.92 0.00 0.00 0.00 179.25 177.16 1qik h TYR 137 N -0.65 -0.84 -0.42 0.00 3.20 -1.12 0.66 116.97 117.80 1qik h TYR 137 Ca -0.01 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.81 1qik h TYR 137 Cb 0.61 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 1qik h TYR 137 CO -0.21 -0.42 -0.02 1.15 -1.64 0.00 0.00 178.16 177.02 1qik h THR 138 N -0.54 1.23 0.00 1.81 2.02 -1.08 -3.26 112.91 113.10 1qik h THR 138 Ca 0.03 -0.96 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1qik h THR 138 Cb 0.56 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 1qik h THR 138 CO -0.17 0.33 -0.81 -0.62 0.37 0.00 0.00 175.52 174.62 1qik n GLU 139 N -4.22 1.52 -2.79 6.66 -0.58 -0.07 -5.02 120.64 116.13 1qik n GLU 139 Ca 0.02 -0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.66 1qik n GLU 139 Cb 0.29 -1.28 0.05 0.00 -0.57 0.00 0.00 31.44 29.93 1qik n GLU 139 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1qik n GLU 140 N -1.41 -3.53 -4.31 3.49 1.02 0.23 -5.05 120.64 111.09 1qik n GLU 140 Ca 0.03 0.49 -0.17 0.00 -0.02 0.00 0.00 57.16 57.49 1qik n GLU 140 Cb 0.26 -4.40 -0.10 0.00 -0.02 0.00 0.00 31.44 27.19 1qik n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1qik s VAL 141 N -3.21 1.56 -0.33 2.62 -7.23 -1.12 -4.68 120.40 108.01 1qik s VAL 141 Ca 0.03 -2.11 -0.23 0.00 -1.81 0.00 0.00 61.98 57.86 1qik s VAL 141 Cb -0.00 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.01 1qik s VAL 141 CO 0.42 -0.60 0.78 -0.69 -0.31 0.00 0.00 175.10 174.70 1qik s VAL 142 N -2.93 4.77 -0.28 1.32 1.01 -0.68 -4.47 120.40 119.14 1qik s VAL 142 Ca 0.19 1.04 -0.11 0.00 0.00 0.00 0.00 61.98 63.10 1qik s VAL 142 Cb -0.01 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1qik s VAL 142 CO 0.05 -0.33 0.19 -0.22 0.00 0.00 0.00 175.10 174.78 1qik s LEU 143 N 3.01 4.01 -0.06 3.92 1.98 -0.70 -1.76 118.68 129.08 1qik s LEU 143 Ca 0.32 -0.01 0.03 0.00 -2.89 0.00 0.00 54.13 51.58 1qik s LEU 143 Cb -0.14 -2.12 -0.02 0.00 0.66 0.00 0.00 46.19 44.57 1qik s LEU 143 CO 0.14 -0.05 -0.14 -0.69 -1.89 0.00 0.00 176.35 173.73 1qik s VAL 144 N 1.74 3.09 -0.13 1.68 1.01 0.19 -0.54 120.40 127.44 1qik s VAL 144 Ca 0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 1qik s VAL 144 Cb -0.16 -2.23 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1qik s VAL 144 CO 0.11 0.58 -0.01 -0.94 0.00 0.00 0.00 175.10 174.84 1qik s SER 145 N -0.58 2.23 0.66 3.32 1.04 -0.15 -0.39 113.70 119.84 1qik s SER 145 Ca 0.08 -0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.15 1qik s SER 145 Cb -0.11 -0.60 0.12 0.00 0.10 0.00 0.00 66.02 65.52 1qik s SER 145 CO 0.01 -0.22 0.90 0.00 0.98 0.00 0.00 173.24 174.91 1qik n LEU 146 N 5.05 0.00 -4.11 2.42 -0.00 -1.16 -1.05 117.00 118.17 1qik n LEU 146 Ca -0.09 -2.30 -0.08 0.00 -0.00 0.00 0.00 56.01 53.53 1qik n LEU 146 Cb 0.49 -0.53 -0.10 0.00 -0.00 0.00 0.00 43.42 43.27 1qik n LEU 146 CO 0.13 -0.85 -0.37 -0.94 -0.00 0.00 0.00 177.39 175.36 1qik s SER 147 N -4.82 0.66 0.10 1.45 1.04 -1.19 -4.66 113.70 106.28 1qik s SER 147 Ca 0.63 -0.96 -0.12 0.00 0.48 0.00 0.00 55.95 55.98 1qik s SER 147 Cb -0.04 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.25 1qik s SER 147 CO 0.41 -0.54 0.29 -0.72 0.98 0.00 0.00 173.24 173.66 1qik s TYR 148 N -3.64 -0.02 0.29 5.02 1.13 -1.26 -4.61 117.35 114.25 1qik s TYR 148 Ca 0.07 -0.33 -0.29 0.00 -1.41 0.00 0.00 57.07 55.11 1qik s TYR 148 Cb 0.06 0.09 -0.10 0.00 -1.10 0.00 0.00 41.96 40.91 1qik s TYR 148 CO -0.08 -0.60 1.10 1.03 -2.51 0.00 0.00 175.55 174.49 1qik s ARG 149 N -3.68 4.61 0.45 -3.49 0.52 -1.26 -4.89 118.95 111.21 1qik s ARG 149 Ca 0.03 1.79 0.05 0.00 -0.52 0.00 0.00 55.73 57.08 1qik s ARG 149 Cb 0.03 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.29 1qik s ARG 149 CO -0.10 0.19 0.02 0.14 0.02 0.00 0.00 175.30 175.57 1qik s VAL 150 N -1.19 1.72 0.00 3.52 -7.23 -1.26 -4.25 120.40 111.71 1qik s VAL 150 Ca 0.45 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 1qik s VAL 150 Cb -0.31 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1qik s VAL 150 CO 0.40 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 1qik n GLY 151 N -1.09 0.35 0.39 2.32 0.00 0.09 -3.11 105.19 104.14 1qik n GLY 151 Ca -0.10 -0.92 0.19 0.00 0.00 0.00 0.00 46.02 45.20 1qik n GLY 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qik h ALA 152 N -0.88 2.04 -0.40 4.61 0.00 -1.89 -0.86 119.26 121.87 1qik h ALA 152 Ca 0.00 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1qik h ALA 152 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1qik h ALA 152 CO 0.00 -0.42 0.31 0.74 0.00 0.00 0.00 179.25 179.87 1qik h PHE 153 N 0.51 0.00 -0.00 0.00 0.04 -1.91 -2.00 116.94 113.57 1qik h PHE 153 Ca 0.58 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.35 1qik h PHE 153 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1qik h PHE 153 CO -0.00 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.12 1qik n GLY 154 N -1.59 -1.23 0.07 -1.45 0.00 -0.40 -4.13 105.19 96.45 1qik n GLY 154 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1qik n GLY 154 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qik n PHE 155 N 0.00 0.00 -1.91 1.61 3.72 -0.76 -0.72 117.46 119.40 1qik n PHE 155 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 1qik n PHE 155 Cb 0.02 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1qik n PHE 155 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1qik s LEU 156 N 0.00 4.37 -0.16 4.37 2.96 -0.77 -4.43 118.68 125.01 1qik s LEU 156 Ca 0.00 2.82 -0.05 0.00 -0.22 0.00 0.00 54.13 56.69 1qik s LEU 156 Cb 0.00 -3.64 0.06 0.00 0.50 0.00 0.00 46.19 43.11 1qik s LEU 156 CO 0.00 -0.78 0.08 0.00 -1.32 0.00 0.00 176.35 174.33 1qik s ALA 157 N -0.32 0.44 -0.76 5.97 0.00 -1.26 -3.42 121.76 122.41 1qik s ALA 157 Ca 0.58 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.28 1qik s ALA 157 Cb -0.44 -1.01 0.19 0.00 0.00 0.00 0.00 23.12 21.86 1qik s ALA 157 CO 0.49 -1.12 0.61 1.28 0.00 0.00 0.00 175.76 177.01 1qik n LEU 158 N 5.27 3.45 -4.55 0.00 4.77 -0.59 -3.24 117.00 122.10 1qik n LEU 158 Ca -0.07 -5.21 -0.45 0.00 -0.03 0.00 0.00 56.01 50.25 1qik n LEU 158 Cb 0.49 -0.85 -0.02 0.00 -2.33 0.00 0.00 43.42 40.71 1qik n LEU 158 CO 0.10 1.73 0.45 1.57 -1.33 0.00 0.00 177.39 179.91 1qik n HIS 159 N 1.95 0.91 0.00 -1.77 -0.00 -1.26 -1.81 115.22 113.24 1qik n HIS 159 Ca 0.21 0.74 0.00 0.00 -0.00 0.00 0.00 57.72 58.68 1qik n HIS 159 Cb 0.36 -2.19 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 1qik n HIS 159 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qik n GLY 160 N 1.37 3.04 3.79 1.57 0.00 -1.26 -5.04 105.19 108.65 1qik n GLY 160 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1qik n GLY 160 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qik s SER 161 N 0.08 6.07 0.00 1.61 0.15 -0.75 -4.98 113.70 115.88 1qik s SER 161 Ca 0.00 0.33 0.20 0.00 0.70 0.00 0.00 55.95 57.19 1qik s SER 161 Cb 0.00 -1.95 0.83 0.00 -1.71 0.00 0.00 66.02 63.18 1qik s SER 161 CO 0.00 0.34 1.58 0.00 1.20 0.00 0.00 173.24 176.37 1qik n GLN 162 N 2.42 1.58 0.12 5.44 1.13 -1.26 -3.08 117.38 123.73 1qik n GLN 162 Ca -0.19 -0.87 0.12 0.00 -1.94 0.00 0.00 57.00 54.12 1qik n GLN 162 Cb 0.54 -1.37 0.04 0.00 0.11 0.00 0.00 30.24 29.55 1qik n GLN 162 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1qik h GLU 163 N 1.76 0.00 -0.00 -1.09 4.39 -1.92 -3.41 114.58 114.31 1qik h GLU 163 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 1qik h GLU 163 Cb 0.39 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 28.89 1qik h GLU 163 CO 0.00 0.00 -0.48 0.00 -1.16 0.00 0.00 179.01 177.37 1qik n ALA 164 N -2.16 -1.21 0.08 3.43 0.00 -1.24 -3.49 120.51 115.92 1qik n ALA 164 Ca 0.01 -1.42 0.04 0.00 0.00 0.00 0.00 53.44 52.07 1qik n ALA 164 Cb 0.54 -1.28 0.46 0.00 0.00 0.00 0.00 19.45 19.17 1qik n ALA 164 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1qik h PRO 165 N 3.68 0.37 0.00 0.00 0.13 -1.72 -1.57 132.00 132.89 1qik h PRO 165 Ca -0.13 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1qik h PRO 165 Cb 1.05 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1qik h PRO 165 CO 0.27 0.29 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 1qik n GLY 166 N -1.37 2.22 2.73 1.56 0.00 -1.22 -4.44 105.19 104.67 1qik n GLY 166 Ca 0.01 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.93 1qik n GLY 166 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qik n ASN 167 N 0.00 -5.63 0.22 1.61 3.02 -1.26 -4.80 115.26 108.42 1qik n ASN 167 Ca 0.00 0.33 0.15 0.00 -0.03 0.00 0.00 54.58 55.04 1qik n ASN 167 Cb 0.00 -4.32 0.69 0.00 -0.61 0.00 0.00 39.78 35.54 1qik n ASN 167 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1qik h VAL 168 N 0.00 0.00 -0.00 2.41 -1.51 -1.89 -1.19 116.25 114.07 1qik h VAL 168 Ca -0.28 -0.24 -0.17 0.00 -1.23 0.00 0.00 66.70 64.79 1qik h VAL 168 Cb 1.21 1.05 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 1qik h VAL 168 CO 0.41 0.00 -0.78 1.23 -1.23 0.00 0.00 177.57 177.20 1qik h GLY 169 N 1.41 0.02 1.85 5.19 0.00 -1.18 -2.03 103.07 108.34 1qik h GLY 169 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 47.33 47.08 1qik h GLY 169 CO 0.00 0.04 -0.94 1.41 0.00 0.00 0.00 176.54 177.05 1qik h LEU 170 N 0.01 0.17 -0.50 3.11 3.38 -1.49 -3.14 115.31 116.86 1qik h LEU 170 Ca -0.01 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 1qik h LEU 170 Cb 1.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 1qik h LEU 170 CO 0.10 1.02 -0.04 -0.07 0.09 0.00 0.00 178.44 179.54 1qik h LEU 171 N 0.06 0.90 -0.49 1.67 3.38 -1.32 -1.56 115.31 117.95 1qik h LEU 171 Ca -0.04 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.70 1qik h LEU 171 Cb 1.61 -0.24 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 1qik h LEU 171 CO 0.14 1.01 -0.07 0.44 0.09 0.00 0.00 178.44 180.05 1qik h ASP 172 N 0.77 -0.35 -0.86 -0.43 3.32 -1.33 0.33 116.42 117.87 1qik h ASP 172 Ca 0.14 0.13 0.01 0.00 0.02 0.00 0.00 57.03 57.33 1qik h ASP 172 Cb 0.57 0.26 -0.04 0.00 0.22 0.00 0.00 39.33 40.34 1qik h ASP 172 CO 0.03 -0.13 0.56 1.56 -1.72 0.00 0.00 179.24 179.54 1qik h GLN 173 N 0.04 1.14 -0.35 3.56 4.20 -1.45 -1.04 115.11 121.21 1qik h GLN 173 Ca 0.24 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1qik h GLN 173 Cb 0.37 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1qik h GLN 173 CO -0.46 0.77 -0.02 -0.09 -0.67 0.00 0.00 178.83 178.35 1qik h ARG 174 N 1.17 0.56 0.03 1.46 2.43 0.09 -0.16 114.38 119.97 1qik h ARG 174 Ca 0.31 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1qik h ARG 174 Cb -0.11 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1qik h ARG 174 CO -0.07 0.60 -0.02 1.98 -1.51 0.00 0.00 179.97 180.96 1qik h MET 175 N 0.53 -0.05 -0.81 0.20 4.05 0.35 0.83 114.93 120.04 1qik h MET 175 Ca 0.11 0.00 0.08 0.00 -0.28 0.00 0.00 59.70 59.61 1qik h MET 175 Cb 0.37 0.01 -0.07 0.00 -0.80 0.00 0.00 31.60 31.12 1qik h MET 175 CO 0.01 0.18 0.47 0.00 0.23 0.00 0.00 176.91 177.80 1qik h ALA 176 N 0.69 1.13 -0.35 0.39 0.00 -0.80 -0.66 119.26 119.66 1qik h ALA 176 Ca -0.00 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1qik h ALA 176 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1qik h ALA 176 CO 0.01 0.14 -0.11 -0.07 0.00 0.00 0.00 179.25 179.21 1qik h LEU 177 N 0.82 0.59 -1.08 0.00 3.38 -0.60 -1.71 115.31 116.71 1qik h LEU 177 Ca 0.37 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1qik h LEU 177 Cb 0.28 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1qik h LEU 177 CO -0.22 0.74 0.34 -0.61 0.09 0.00 0.00 178.44 178.78 1qik h GLN 178 N 0.56 0.99 -0.20 1.13 5.75 0.64 -1.25 115.11 122.73 1qik h GLN 178 Ca 0.10 -0.13 -0.08 0.00 -0.15 0.00 0.00 58.65 58.39 1qik h GLN 178 Cb 0.53 -0.19 -0.00 0.00 1.07 0.00 0.00 27.48 28.89 1qik h GLN 178 CO 0.03 0.76 -0.17 2.35 -2.65 0.00 0.00 178.83 179.15 1qik h TRP 179 N 0.99 0.56 -0.20 3.99 7.01 -0.86 -1.10 115.95 126.34 1qik h TRP 179 Ca 0.24 -0.16 0.04 0.00 2.11 0.00 0.00 58.89 61.12 1qik h TRP 179 Cb 0.09 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 1qik h TRP 179 CO 0.01 0.81 0.14 0.28 -2.79 0.00 0.00 178.44 176.89 1qik h VAL 180 N 0.14 0.94 0.03 2.65 2.07 -0.95 0.18 116.25 121.32 1qik h VAL 180 Ca 0.03 -0.03 -0.22 0.00 0.82 0.00 0.00 66.70 67.31 1qik h VAL 180 Cb 0.71 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1qik h VAL 180 CO 0.04 0.01 -0.99 -0.74 0.02 0.00 0.00 177.57 175.92 1qik h HIS 181 N 0.08 0.24 0.00 1.57 -0.00 -0.85 -2.03 115.15 114.16 1qik h HIS 181 Ca 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 1qik h HIS 181 Cb 0.26 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1qik h HIS 181 CO -0.00 1.04 -0.69 -0.25 -0.00 0.00 0.00 177.93 178.03 1qik n ASP 182 N -3.54 0.62 0.00 3.26 8.00 -0.45 -4.66 116.55 119.78 1qik n ASP 182 Ca -0.04 -0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.11 1qik n ASP 182 Cb 0.89 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.46 1qik n ASP 182 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qik n ASN 183 N -1.62 0.52 0.26 -2.24 3.02 0.52 -4.82 115.26 110.90 1qik n ASN 183 Ca 0.04 -0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.71 1qik n ASN 183 Cb 0.36 0.17 0.77 0.00 -0.61 0.00 0.00 39.78 40.47 1qik n ASN 183 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1qik h ILE 184 N 0.00 0.00 0.00 2.41 6.09 -1.49 0.23 117.51 124.75 1qik h ILE 184 Ca 0.00 0.00 -0.06 0.00 -1.37 0.00 0.00 64.86 63.43 1qik h ILE 184 Cb 0.00 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 37.91 1qik h ILE 184 CO 0.00 0.00 -0.29 0.06 -3.07 0.00 0.00 178.15 174.85 1qik h GLN 185 N 0.00 0.00 -0.00 2.19 3.07 -1.80 -0.28 115.11 118.29 1qik h GLN 185 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1qik h GLN 185 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1qik h GLN 185 CO 0.00 0.29 -0.00 1.19 0.09 0.00 0.00 178.83 180.40 1qik n PHE 186 N -3.77 0.00 0.13 0.06 3.72 0.07 -2.72 117.46 114.95 1qik n PHE 186 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1qik n PHE 186 Cb 0.38 -0.01 0.09 0.00 -0.94 0.00 0.00 39.48 39.00 1qik n PHE 186 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1qik n PHE 187 N -0.86 0.21 -0.03 1.38 3.01 -0.56 -4.81 117.46 115.80 1qik n PHE 187 Ca 0.23 -0.25 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1qik n PHE 187 Cb 0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1qik n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qik n GLY 188 N 0.50 0.36 3.86 1.37 0.00 -1.10 -4.61 105.19 105.57 1qik n GLY 188 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 1qik n GLY 188 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qik s GLY 189 N -1.54 2.13 -0.37 -0.02 0.00 -0.22 -0.48 107.32 106.81 1qik s GLY 189 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 44.72 44.48 1qik s GLY 189 CO 0.00 0.08 0.25 -0.35 0.00 0.00 0.00 173.10 173.09 1qik s ASP 190 N -2.74 6.00 0.51 1.64 2.15 0.02 -3.19 116.67 121.06 1qik s ASP 190 Ca 0.52 -0.68 0.25 0.00 0.43 0.00 0.00 52.55 53.08 1qik s ASP 190 Cb -0.10 -2.12 1.36 0.00 -0.30 0.00 0.00 42.92 41.76 1qik s ASP 190 CO 0.25 -0.33 2.05 1.55 -0.17 0.00 0.00 175.17 178.52 1qik h PRO 191 N 8.53 0.00 -0.37 4.34 0.13 -1.89 -2.69 132.00 140.05 1qik h PRO 191 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1qik h PRO 191 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1qik h PRO 191 CO 0.67 0.14 0.00 0.36 -0.23 0.00 0.00 178.00 178.94 1qik n LYS 192 N -3.73 1.53 -3.01 0.86 2.85 -1.26 -4.07 118.16 111.33 1qik n LYS 192 Ca -0.02 -0.63 -0.16 0.00 -1.05 0.00 0.00 58.31 56.45 1qik n LYS 192 Cb 0.25 -1.28 0.00 0.00 -0.65 0.00 0.00 35.03 33.35 1qik n LYS 192 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1qik n THR 193 N 0.03 -0.23 -4.68 0.58 -1.04 -1.01 -4.84 114.28 103.09 1qik n THR 193 Ca 0.06 -3.19 -0.33 0.00 -2.04 0.00 0.00 64.05 58.54 1qik n THR 193 Cb 0.23 0.03 -0.14 0.00 -1.82 0.00 0.00 70.33 68.64 1qik n THR 193 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1qik s VAL 194 N -0.95 3.30 -0.20 12.58 0.11 -1.26 -2.40 120.40 131.58 1qik s VAL 194 Ca 0.33 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.75 1qik s VAL 194 Cb 0.27 -2.40 -0.02 0.00 -1.53 0.00 0.00 36.38 32.70 1qik s VAL 194 CO -0.11 0.52 -0.00 -0.89 -3.33 0.00 0.00 175.10 171.29 1qik s THR 195 N 0.25 3.93 -0.08 5.04 2.01 -0.21 -0.64 115.64 125.94 1qik s THR 195 Ca -0.07 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1qik s THR 195 Cb -0.15 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 1qik s THR 195 CO 0.05 0.43 0.13 0.27 -0.69 0.00 0.00 174.62 174.81 1qik s ILE 196 N 0.97 5.30 -0.03 1.82 -4.36 -1.04 -0.10 121.20 123.76 1qik s ILE 196 Ca 0.01 0.03 -0.06 0.00 -0.26 0.00 0.00 60.65 60.38 1qik s ILE 196 Cb -0.14 -3.34 0.01 0.00 1.25 0.00 0.00 42.46 40.23 1qik s ILE 196 CO 0.02 0.53 0.13 0.72 0.24 0.00 0.00 174.94 176.59 1qik s PHE 197 N -1.09 -0.07 0.34 1.37 -0.71 -0.15 -1.51 117.98 116.17 1qik s PHE 197 Ca 0.18 0.15 0.01 0.00 -1.04 0.00 0.00 56.93 56.23 1qik s PHE 197 Cb -0.12 0.00 -0.01 0.00 -1.21 0.00 0.00 43.02 41.69 1qik s PHE 197 CO 0.08 -0.16 0.41 0.20 -1.34 0.00 0.00 175.22 174.41 1qik s GLY 198 N -0.54 1.77 -0.04 1.99 0.00 -0.80 -1.79 107.32 107.91 1qik s GLY 198 Ca -0.06 -1.71 -0.03 0.00 0.00 0.00 0.00 44.72 42.93 1qik s GLY 198 CO 0.01 -1.16 0.09 1.85 0.00 0.00 0.00 173.10 173.89 1qik s GLU 199 N -3.17 0.08 7.98 2.90 -6.30 -1.25 -0.91 118.70 118.03 1qik s GLU 199 Ca 0.34 0.18 0.00 0.00 -2.50 0.00 0.00 54.97 52.99 1qik s GLU 199 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 34.13 34.10 1qik s GLU 199 CO 0.23 -0.06 0.00 0.45 0.02 0.00 0.00 175.26 175.89 1qik n SER 200 N 3.42 0.00 0.29 -1.70 2.88 -0.56 -1.08 113.62 116.87 1qik n SER 200 Ca -0.17 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.52 1qik n SER 200 Cb 0.57 0.00 0.91 0.00 -0.75 0.00 0.00 64.21 64.93 1qik n SER 200 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qik h ALA 201 N -0.85 1.38 -0.05 -1.46 0.00 -1.87 -0.17 119.26 116.23 1qik h ALA 201 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1qik h ALA 201 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1qik h ALA 201 CO 0.00 0.04 -0.77 0.78 0.00 0.00 0.00 179.25 179.31 1qik h GLY 202 N 0.27 0.39 2.00 0.00 0.00 -1.17 -0.36 103.07 104.20 1qik h GLY 202 Ca -0.00 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.64 1qik h GLY 202 CO 0.00 0.52 -0.52 -1.33 0.00 0.00 0.00 176.54 175.21 1qik h GLY 203 N 1.39 0.00 2.00 4.60 0.00 -1.08 -1.85 103.07 108.13 1qik h GLY 203 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 1qik h GLY 203 CO 0.13 0.00 -0.90 0.00 0.00 0.00 0.00 176.54 175.77 1qik h ALA 204 N 1.48 0.51 -0.30 3.60 0.00 -1.09 -2.91 119.26 120.54 1qik h ALA 204 Ca -0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 54.91 53.94 1qik h ALA 204 Cb 0.96 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1qik h ALA 204 CO 0.07 1.13 -0.39 0.77 0.00 0.00 0.00 179.25 180.83 1qik h SER 205 N 0.00 0.87 0.42 0.00 0.02 -0.71 -1.68 113.55 112.47 1qik h SER 205 Ca -0.01 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1qik h SER 205 Cb 1.60 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.88 1qik h SER 205 CO 0.12 1.19 -0.32 0.58 -1.14 0.00 0.00 176.83 177.26 1qik h VAL 206 N 0.56 0.34 -0.45 2.27 2.07 -1.38 -0.61 116.25 119.06 1qik h VAL 206 Ca 0.04 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.69 1qik h VAL 206 Cb 0.98 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1qik h VAL 206 CO 0.09 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.30 1qik h GLY 207 N -0.73 0.00 2.00 2.17 0.00 -1.48 0.13 103.07 105.16 1qik h GLY 207 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.20 1qik h GLY 207 CO -0.00 0.00 -0.45 -0.33 0.00 0.00 0.00 176.54 175.75 1qik h MET 208 N 0.00 0.00 0.00 4.80 2.86 -0.17 -2.90 114.93 119.52 1qik h MET 208 Ca 0.21 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.77 1qik h MET 208 Cb 0.98 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 1qik h MET 208 CO -0.00 0.45 -0.58 0.45 1.06 0.00 0.00 176.91 178.30 1qik h HIS 209 N 0.00 0.00 -0.08 -0.22 3.86 0.34 -1.56 115.15 117.49 1qik h HIS 209 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 1qik h HIS 209 Cb 1.19 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 1qik h HIS 209 CO 0.00 0.38 -0.53 0.82 0.86 0.00 0.00 177.93 179.46 1qik h ILE 210 N 0.00 1.36 0.04 2.45 2.04 -1.32 -3.19 117.51 118.90 1qik h ILE 210 Ca -0.03 -1.81 -0.16 0.00 1.00 0.00 0.00 64.86 63.86 1qik h ILE 210 Cb 1.32 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1qik h ILE 210 CO 0.05 0.54 -0.83 -0.07 0.00 0.00 0.00 178.15 177.84 1qik h LEU 211 N 0.17 0.14 -9.32 1.44 3.38 -1.44 -1.01 115.31 108.67 1qik h LEU 211 Ca 0.00 -0.80 -0.54 0.00 0.09 0.00 0.00 57.88 56.63 1qik h LEU 211 Cb 1.00 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.71 1qik h LEU 211 CO 0.08 1.35 1.13 -0.55 0.09 0.00 0.00 178.44 180.53 1qik s SER 212 N -6.69 6.58 0.26 -0.43 0.15 -0.60 -4.73 113.70 108.25 1qik s SER 212 Ca -0.22 2.42 -0.02 0.00 0.70 0.00 0.00 55.95 58.84 1qik s SER 212 Cb 0.02 -2.54 0.49 0.00 -1.71 0.00 0.00 66.02 62.29 1qik s SER 212 CO 0.69 -0.96 1.78 -0.65 1.20 0.00 0.00 173.24 175.29 1qik h PRO 213 N 9.72 0.66 0.00 5.44 0.11 -1.87 -1.99 132.00 144.07 1qik h PRO 213 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qik h PRO 213 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1qik h PRO 213 CO 0.95 0.43 0.00 0.41 -0.21 0.00 0.00 178.00 179.58 1qik n GLY 214 N -1.32 -0.80 0.03 -0.55 0.00 -1.26 -3.19 105.19 98.10 1qik n GLY 214 Ca 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 46.02 46.24 1qik n GLY 214 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qik n SER 215 N -1.88 3.34 -0.30 1.61 7.64 -0.77 -4.76 113.62 118.49 1qik n SER 215 Ca 0.00 0.00 0.17 0.00 1.01 0.00 0.00 58.87 60.05 1qik n SER 215 Cb 0.06 0.82 0.33 0.00 -1.01 0.00 0.00 64.21 64.41 1qik n SER 215 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qik n ARG 216 N -2.13 -0.07 0.00 1.43 1.74 -1.07 -0.69 116.66 115.87 1qik n ARG 216 Ca -0.09 1.31 0.11 0.00 -0.77 0.00 0.00 57.85 58.42 1qik n ARG 216 Cb 0.60 -2.15 0.62 0.00 -1.02 0.00 0.00 32.46 30.51 1qik n ARG 216 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1qik n ASP 217 N -5.24 0.00 -1.19 0.55 8.00 -1.26 -3.90 116.55 113.52 1qik n ASP 217 Ca 0.24 -0.38 0.10 0.00 0.71 0.00 0.00 54.79 55.46 1qik n ASP 217 Cb 0.81 -0.14 0.28 0.00 -0.02 0.00 0.00 41.12 42.05 1qik n ASP 217 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1qik n LEU 218 N -1.14 3.45 -3.74 0.64 4.77 0.13 -4.96 117.00 116.16 1qik n LEU 218 Ca 0.14 -1.73 -0.09 0.00 -0.03 0.00 0.00 56.01 54.30 1qik n LEU 218 Cb 0.13 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 1qik n LEU 218 CO 0.15 0.81 0.37 0.72 -1.33 0.00 0.00 177.39 178.11 1qik s PHE 219 N -1.27 -0.20 -0.18 -1.77 -0.71 -1.25 -4.89 117.98 107.70 1qik s PHE 219 Ca 0.42 -0.16 -0.13 0.00 -1.04 0.00 0.00 56.93 56.02 1qik s PHE 219 Cb 0.23 0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 42.50 1qik s PHE 219 CO 0.27 -1.04 -0.29 -2.13 -1.34 0.00 0.00 175.22 170.70 1qik n ARG 220 N -0.40 0.45 -4.49 1.99 3.00 0.19 -4.94 116.66 112.46 1qik n ARG 220 Ca -0.09 0.19 -0.23 0.00 -0.00 0.00 0.00 57.85 57.72 1qik n ARG 220 Cb 0.62 -1.27 -0.11 0.00 0.00 0.00 0.00 32.46 31.70 1qik n ARG 220 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1qik s ARG 221 N -2.54 1.73 -0.02 -0.14 0.52 -1.19 -4.53 118.95 112.78 1qik s ARG 221 Ca -0.28 -1.97 -0.04 0.00 -0.52 0.00 0.00 55.73 52.92 1qik s ARG 221 Cb 0.08 -1.05 0.00 0.00 0.52 0.00 0.00 34.95 34.51 1qik s ARG 221 CO 0.37 -0.16 0.09 0.00 0.02 0.00 0.00 175.30 175.62 1qik s ALA 222 N -3.16 -0.22 -0.13 2.13 0.00 -1.14 -2.50 121.76 116.74 1qik s ALA 222 Ca 0.36 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.42 1qik s ALA 222 Cb 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 23.15 1qik s ALA 222 CO 0.16 -0.09 -0.14 0.42 0.00 0.00 0.00 175.76 176.11 1qik s ILE 223 N -0.40 1.50 -0.14 0.00 1.01 -0.57 -2.17 121.20 120.43 1qik s ILE 223 Ca -0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1qik s ILE 223 Cb -0.03 -1.41 -0.00 0.00 0.01 0.00 0.00 42.46 41.03 1qik s ILE 223 CO 0.00 0.45 -0.17 -0.76 0.00 0.00 0.00 174.94 174.46 1qik s LEU 224 N 1.35 2.40 -0.17 2.97 1.02 -0.94 -1.90 118.68 123.42 1qik s LEU 224 Ca 0.01 -0.48 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 1qik s LEU 224 Cb -0.13 -1.53 -0.00 0.00 0.02 0.00 0.00 46.19 44.54 1qik s LEU 224 CO -0.08 0.10 -0.14 -1.10 0.02 0.00 0.00 176.35 175.15 1qik s GLN 225 N 0.70 3.22 -1.60 1.70 -0.21 -0.09 -2.75 119.66 120.63 1qik s GLN 225 Ca -0.08 -0.74 -0.10 0.00 0.02 0.00 0.00 55.36 54.46 1qik s GLN 225 Cb -0.16 -2.67 0.09 0.00 1.00 0.00 0.00 33.01 31.27 1qik s GLN 225 CO 0.01 -0.03 0.52 0.43 -2.12 0.00 0.00 175.29 174.10 1qik n SER 226 N 4.20 -1.47 -3.65 5.90 7.64 -0.32 -1.50 113.62 124.42 1qik n SER 226 Ca -0.19 -1.08 -0.01 0.00 1.01 0.00 0.00 58.87 58.60 1qik n SER 226 Cb 0.51 -2.53 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 1qik n SER 226 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1qik s GLY 227 N -3.82 0.44 0.03 0.23 0.00 -1.26 -3.20 107.32 99.74 1qik s GLY 227 Ca 0.39 3.61 0.00 0.00 0.00 0.00 0.00 44.72 48.72 1qik s GLY 227 CO 0.94 2.35 -0.04 -1.35 0.00 0.00 0.00 173.10 175.00 1qik s SER 228 N 0.58 0.44 0.43 1.64 1.04 -1.26 -3.87 113.70 112.70 1qik s SER 228 Ca -0.01 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.92 1qik s SER 228 Cb -0.04 0.12 1.04 0.00 0.10 0.00 0.00 66.02 67.24 1qik s SER 228 CO -0.12 -0.37 1.93 1.55 0.98 0.00 0.00 173.24 177.21 1qik h PRO 229 N 4.17 0.41 -0.95 4.02 0.13 -1.80 -2.76 132.00 135.22 1qik h PRO 229 Ca -0.33 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.64 1qik h PRO 229 Cb 1.19 -0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.15 1qik h PRO 229 CO 0.48 0.27 0.17 0.27 -0.23 0.00 0.00 178.00 178.96 1qik n ASN 230 N -4.47 3.14 -4.77 1.44 6.94 -1.26 -4.71 115.26 111.57 1qik n ASN 230 Ca 0.13 -2.53 -0.38 0.00 -0.02 0.00 0.00 54.58 51.77 1qik n ASN 230 Cb 0.49 -0.61 -0.06 0.00 -2.36 0.00 0.00 39.78 37.24 1qik n ASN 230 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qik n PRO 232 N 0.89 0.08 -0.00 0.00 -0.04 -1.26 -1.72 135.00 132.94 1qik n PRO 232 Ca 0.01 0.55 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 1qik n PRO 232 Cb 0.48 -1.88 -0.09 0.00 -0.04 0.00 0.00 33.50 31.97 1qik n PRO 232 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qik n TRP 233 N -1.93 0.00 0.59 0.54 4.27 -1.26 -4.60 117.44 115.04 1qik n TRP 233 Ca -0.01 0.00 0.11 0.00 -3.89 0.00 0.00 57.50 53.71 1qik n TRP 233 Cb 0.13 -0.19 0.44 0.00 -1.36 0.00 0.00 31.31 30.34 1qik n TRP 233 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1qik n ALA 234 N -1.72 1.91 -3.49 -1.67 0.00 -0.70 -4.70 120.51 110.14 1qik n ALA 234 Ca -0.01 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1qik n ALA 234 Cb 0.28 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.34 1qik n ALA 234 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1qik s SER 235 N -3.66 -0.50 0.21 0.00 1.04 -1.26 -3.71 113.70 105.83 1qik s SER 235 Ca 0.08 -0.09 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 1qik s SER 235 Cb 0.12 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 1qik s SER 235 CO 0.42 -0.97 0.10 0.68 0.98 0.00 0.00 173.24 174.44 1qik s VAL 236 N -3.68 0.25 0.48 5.02 -7.23 -0.29 -4.99 120.40 109.96 1qik s VAL 236 Ca 0.03 -1.99 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 1qik s VAL 236 Cb -0.02 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.42 1qik s VAL 236 CO -0.10 -0.09 0.81 -0.94 -0.31 0.00 0.00 175.10 174.48 1qik s SER 237 N -3.20 6.31 0.34 4.85 1.04 -1.26 -1.04 113.70 120.74 1qik s SER 237 Ca 0.36 1.02 0.02 0.00 0.48 0.00 0.00 55.95 57.83 1qik s SER 237 Cb 0.07 -2.29 0.63 0.00 0.10 0.00 0.00 66.02 64.53 1qik s SER 237 CO 0.11 -0.58 1.99 -0.37 0.98 0.00 0.00 173.24 175.37 1qik h VAL 238 N 0.32 1.14 -0.22 5.02 -1.51 -1.94 0.17 116.25 119.22 1qik h VAL 238 Ca -0.47 -0.30 0.02 0.00 -1.23 0.00 0.00 66.70 64.72 1qik h VAL 238 Cb 1.20 0.18 -0.02 0.00 -2.13 0.00 0.00 31.29 30.52 1qik h VAL 238 CO 0.62 0.16 0.10 0.00 -1.23 0.00 0.00 177.57 177.22 1qik h ALA 239 N 1.59 0.26 -0.16 5.19 0.00 -1.96 0.37 119.26 124.55 1qik h ALA 239 Ca 0.26 0.01 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1qik h ALA 239 Cb -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1qik h ALA 239 CO -0.07 -0.32 -0.52 1.49 0.00 0.00 0.00 179.25 179.84 1qik h GLU 240 N 0.21 0.45 -0.73 0.00 4.57 -1.72 -1.38 114.58 115.99 1qik h GLU 240 Ca 0.09 -0.27 -0.05 0.00 -1.18 0.00 0.00 59.36 57.95 1qik h GLU 240 Cb 0.04 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.62 1qik h GLU 240 CO -0.07 0.86 0.25 0.78 -1.18 0.00 0.00 179.01 179.65 1qik h GLY 241 N 1.17 1.20 1.04 1.92 0.00 -0.25 -1.73 103.07 106.41 1qik h GLY 241 Ca 0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.58 1qik h GLY 241 CO 0.09 0.64 0.04 -0.09 0.00 0.00 0.00 176.54 177.23 1qik h ARG 242 N 1.06 0.97 -0.40 4.80 2.43 -0.06 -1.60 114.38 121.58 1qik h ARG 242 Ca 0.24 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1qik h ARG 242 Cb 0.27 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1qik h ARG 242 CO -0.01 0.95 0.19 -0.09 -1.51 0.00 0.00 179.97 179.50 1qik h ARG 243 N 0.86 0.37 0.00 0.20 2.43 -0.79 -2.03 114.38 115.43 1qik h ARG 243 Ca 0.17 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.21 1qik h ARG 243 Cb 0.48 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1qik h ARG 243 CO 0.02 0.25 -0.51 0.00 -1.51 0.00 0.00 179.97 178.22 1qik h ARG 244 N 0.39 0.00 -0.33 0.20 3.08 -1.26 -1.94 114.38 114.51 1qik h ARG 244 Ca 0.17 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 1qik h ARG 244 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1qik h ARG 244 CO -0.13 0.51 0.06 0.00 -1.07 0.00 0.00 179.97 179.34 1qik h ALA 245 N 1.49 0.44 0.13 0.04 0.00 -0.86 -1.29 119.26 119.20 1qik h ALA 245 Ca -0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1qik h ALA 245 Cb 1.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1qik h ALA 245 CO 0.07 0.14 -0.06 0.28 0.00 0.00 0.00 179.25 179.67 1qik h VAL 246 N 0.38 1.01 -0.89 0.00 2.07 -1.32 -2.51 116.25 115.00 1qik h VAL 246 Ca 0.10 -0.61 0.10 0.00 0.82 0.00 0.00 66.70 67.11 1qik h VAL 246 Cb 0.35 1.39 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 1qik h VAL 246 CO 0.01 0.14 0.58 -0.08 0.02 0.00 0.00 177.57 178.24 1qik h GLU 247 N -0.46 0.84 -0.50 1.57 4.57 -1.34 0.37 114.58 119.63 1qik h GLU 247 Ca -0.02 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1qik h GLU 247 Cb 0.37 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.75 1qik h GLU 247 CO 0.03 0.55 0.32 1.25 -1.18 0.00 0.00 179.01 179.98 1qik h LEU 248 N 0.86 0.58 -1.50 1.64 5.85 -1.15 -1.51 115.31 120.07 1qik h LEU 248 Ca 0.42 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.09 1qik h LEU 248 Cb 0.45 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1qik h LEU 248 CO -0.18 0.43 0.04 1.23 -0.34 0.00 0.00 178.44 179.62 1qik h GLY 249 N 0.67 0.39 2.00 3.75 0.00 0.03 -2.29 103.07 107.62 1qik h GLY 249 Ca 0.18 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 1qik h GLY 249 CO -0.04 0.18 -0.43 -0.09 0.00 0.00 0.00 176.54 176.16 1qik h ARG 250 N 0.36 0.00 0.00 4.80 2.43 0.34 0.10 114.38 122.41 1qik h ARG 250 Ca 0.09 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1qik h ARG 250 Cb 0.18 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1qik h ARG 250 CO -0.00 0.43 -0.35 -0.91 -1.51 0.00 0.00 179.97 177.63 1qik h ASN 251 N 0.00 0.00 -0.51 -3.80 -0.26 -0.79 -3.03 115.58 107.19 1qik h ASN 251 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1qik h ASN 251 Cb 0.83 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.09 1qik h ASN 251 CO 0.06 0.35 0.00 0.18 -1.06 0.00 0.00 177.43 176.96 1qik n LEU 252 N -3.28 4.53 -3.46 1.61 4.77 -1.15 -4.98 117.00 115.05 1qik n LEU 252 Ca 0.01 -2.61 -0.18 0.00 -0.03 0.00 0.00 56.01 53.21 1qik n LEU 252 Cb 0.60 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1qik n LEU 252 CO 0.37 0.74 0.04 0.59 -1.33 0.00 0.00 177.39 177.80 1qik n ASN 253 N 0.60 -6.19 -4.71 -1.43 3.02 -1.07 -4.99 115.26 100.50 1qik n ASN 253 Ca 0.23 -0.66 -0.27 0.00 -0.03 0.00 0.00 54.58 53.86 1qik n ASN 253 Cb 0.89 -3.81 -0.07 0.00 -0.61 0.00 0.00 39.78 36.19 1qik n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qik s ASN 255 N -2.97 6.72 -0.28 0.00 3.84 -1.26 -4.76 114.94 116.22 1qik s ASN 255 Ca 0.28 2.34 0.10 0.00 0.21 0.00 0.00 52.86 55.79 1qik s ASN 255 Cb -0.10 -2.57 0.53 0.00 -0.55 0.00 0.00 41.25 38.56 1qik s ASN 255 CO 0.20 -0.79 1.50 0.18 -2.79 0.00 0.00 177.10 175.40 1qik n LEU 256 N 5.17 4.33 0.22 3.21 4.77 -1.26 -3.20 117.00 130.23 1qik n LEU 256 Ca 0.14 -3.61 0.10 0.00 -0.03 0.00 0.00 56.01 52.62 1qik n LEU 256 Cb 0.42 -0.64 0.37 0.00 -2.33 0.00 0.00 43.42 41.24 1qik n LEU 256 CO 0.60 1.12 0.78 0.78 -1.33 0.00 0.00 177.39 179.35 1qik h ASN 257 N 1.17 0.00 -5.02 -1.43 2.35 -1.94 -3.47 115.58 107.24 1qik h ASN 257 Ca 0.22 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.03 1qik h ASN 257 Cb 1.73 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 40.01 1qik h ASN 257 CO 0.42 0.19 0.30 -0.94 -1.65 0.00 0.00 177.43 175.75 1qik s SER 258 N -6.15 -0.35 0.15 5.81 1.04 -1.26 -5.00 113.70 107.94 1qik s SER 258 Ca 0.02 -0.32 -0.17 0.00 0.48 0.00 0.00 55.95 55.96 1qik s SER 258 Cb 0.09 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1qik s SER 258 CO 0.64 -1.07 1.80 0.44 0.98 0.00 0.00 173.24 176.03 1qik h ASP 259 N 2.00 0.37 -0.86 7.02 3.32 -1.95 0.96 116.42 127.28 1qik h ASP 259 Ca -0.25 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 56.81 1qik h ASP 259 Cb 1.26 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1qik h ASP 259 CO 0.29 0.27 0.57 -0.33 -1.72 0.00 0.00 179.24 178.31 1qik h GLU 260 N 0.44 1.11 -0.10 3.56 3.07 -1.98 0.39 114.58 121.08 1qik h GLU 260 Ca 0.13 -0.07 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1qik h GLU 260 Cb -0.03 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 27.60 1qik h GLU 260 CO -0.05 0.74 -0.08 1.49 -1.40 0.00 0.00 179.01 179.71 1qik h GLU 261 N 1.15 -0.08 0.35 2.33 4.57 -1.68 -1.82 114.58 119.39 1qik h GLU 261 Ca 0.32 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1qik h GLU 261 Cb -0.11 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1qik h GLU 261 CO -0.08 -0.06 -0.17 1.25 -1.18 0.00 0.00 179.01 178.78 1qik h LEU 262 N -0.09 -0.40 -0.67 1.64 5.85 -0.01 -3.09 115.31 118.55 1qik h LEU 262 Ca 0.07 -0.16 0.14 0.00 0.84 0.00 0.00 57.88 58.77 1qik h LEU 262 Cb 0.18 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.22 1qik h LEU 262 CO -0.16 0.00 0.13 0.40 -0.34 0.00 0.00 178.44 178.48 1qik h ILE 263 N -0.88 0.56 -0.48 4.05 2.04 -0.27 -1.40 117.51 121.13 1qik h ILE 263 Ca -0.05 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1qik h ILE 263 Cb 0.53 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1qik h ILE 263 CO 0.08 0.04 0.28 -0.74 0.00 0.00 0.00 178.15 177.81 1qik h HIS 264 N 0.25 0.52 -0.76 1.37 2.76 -1.41 0.65 115.15 118.53 1qik h HIS 264 Ca 0.36 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.57 1qik h HIS 264 Cb 0.58 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.34 1qik h HIS 264 CO -0.27 0.29 0.49 0.00 -1.30 0.00 0.00 177.93 177.14 1qik h LEU 266 N 0.98 0.71 -1.31 0.00 3.38 -0.67 -2.67 115.31 115.72 1qik h LEU 266 Ca 0.29 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qik h LEU 266 Cb -0.04 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1qik h LEU 266 CO -0.09 0.88 0.00 0.03 0.09 0.00 0.00 178.44 179.35 1qik h ARG 267 N 0.64 0.00 -0.07 1.13 3.08 -0.32 -2.61 114.38 116.22 1qik h ARG 267 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1qik h ARG 267 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1qik h ARG 267 CO 0.04 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.33 1qik n GLU 268 N -2.70 1.94 -3.48 0.04 -0.58 -1.01 -4.92 120.64 109.94 1qik n GLU 268 Ca 0.01 -1.38 -0.33 0.00 -0.42 0.00 0.00 57.16 55.03 1qik n GLU 268 Cb 0.23 -1.46 -0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1qik n GLU 268 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qik s LYS 269 N -1.93 3.81 0.51 3.49 -0.14 -0.99 -5.06 119.74 119.43 1qik s LYS 269 Ca 0.34 0.25 -0.21 0.00 -1.36 0.00 0.00 55.97 54.99 1qik s LYS 269 Cb 0.20 -2.84 -0.06 0.00 -1.68 0.00 0.00 37.83 33.44 1qik s LYS 269 CO 0.31 0.45 1.15 0.15 -0.76 0.00 0.00 175.35 176.65 1qik s LYS 270 N -2.32 3.52 0.27 1.68 1.02 -1.26 -4.93 119.74 117.71 1qik s LYS 270 Ca 0.40 1.71 -0.02 0.00 0.02 0.00 0.00 55.97 58.08 1qik s LYS 270 Cb -0.13 -2.19 0.58 0.00 -0.52 0.00 0.00 37.83 35.57 1qik s LYS 270 CO 0.20 -0.73 1.67 -1.35 -0.92 0.00 0.00 175.35 174.23 1qik h PRO 271 N 1.59 0.26 0.00 -1.68 0.11 -1.97 -1.12 132.00 129.18 1qik h PRO 271 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1qik h PRO 271 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1qik h PRO 271 CO 0.58 0.17 0.00 0.94 -0.21 0.00 0.00 178.00 179.48 1qik n GLN 272 N -5.17 0.18 0.01 1.05 -0.06 -1.26 -2.84 117.38 109.30 1qik n GLN 272 Ca 0.18 0.15 -0.10 0.00 -2.00 0.00 0.00 57.00 55.22 1qik n GLN 272 Cb 0.56 -1.50 -0.14 0.00 -4.06 0.00 0.00 30.24 25.10 1qik n GLN 272 CO 0.00 0.00 0.00 0.93 -0.20 0.00 0.00 177.06 177.79 1qik h GLU 273 N 0.00 0.06 0.01 3.69 5.08 -1.57 -2.42 114.58 119.43 1qik h GLU 273 Ca 0.00 -0.10 -0.19 0.00 -1.00 0.00 0.00 59.36 58.07 1qik h GLU 273 Cb 0.18 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1qik h GLU 273 CO 0.00 0.75 -0.87 -0.07 -1.00 0.00 0.00 179.01 177.81 1qik h LEU 274 N 0.02 0.14 -0.30 1.33 4.07 -1.60 -3.24 115.31 115.72 1qik h LEU 274 Ca -0.23 -0.11 -0.20 0.00 0.08 0.00 0.00 57.88 57.41 1qik h LEU 274 Cb 1.97 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.67 1qik h LEU 274 CO 0.10 0.94 -0.73 0.40 -1.08 0.00 0.00 178.44 178.07 1qik h ILE 275 N 0.05 1.32 0.00 1.22 2.04 -1.62 -1.86 117.51 118.68 1qik h ILE 275 Ca -0.03 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 1qik h ILE 275 Cb 1.52 2.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.60 1qik h ILE 275 CO 0.12 0.63 -0.01 0.44 0.00 0.00 0.00 178.15 179.33 1qik h ASP 276 N 0.42 0.00 -0.01 1.72 3.32 -1.45 -2.96 116.42 117.47 1qik h ASP 276 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1qik h ASP 276 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 1qik h ASP 276 CO 0.14 0.01 -0.17 1.33 -1.72 0.00 0.00 179.24 178.83 1qik n VAL 277 N -4.27 0.00 -0.35 -1.35 0.24 -1.21 -4.76 118.33 106.63 1qik n VAL 277 Ca -0.03 -0.41 0.02 0.00 -2.04 0.00 0.00 64.34 61.88 1qik n VAL 277 Cb 0.10 1.12 0.09 0.00 -1.47 0.00 0.00 33.84 33.67 1qik n VAL 277 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1qik h GLU 278 N 1.11 -0.01 0.00 7.34 4.81 -1.15 -1.06 114.58 125.62 1qik h GLU 278 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1qik h GLU 278 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1qik h GLU 278 CO 0.00 -0.01 0.00 0.91 -0.73 0.00 0.00 179.01 179.18 1qik n TRP 279 N -5.54 0.00 1.19 0.92 7.02 -1.26 -3.07 117.44 116.70 1qik n TRP 279 Ca 0.12 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.74 1qik n TRP 279 Cb 0.44 -0.21 0.55 0.00 -2.42 0.00 0.00 31.31 29.67 1qik n TRP 279 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1qik n ASN 280 N -1.21 0.29 -0.04 -0.99 3.02 -0.40 -3.87 115.26 112.08 1qik n ASN 280 Ca 0.08 -0.13 0.12 0.00 -0.03 0.00 0.00 54.58 54.62 1qik n ASN 280 Cb 0.09 -0.15 0.29 0.00 -0.61 0.00 0.00 39.78 39.40 1qik n ASN 280 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1qik n VAL 281 N -1.27 0.00 -1.71 2.41 0.24 -1.17 -4.91 118.33 111.91 1qik n VAL 281 Ca 0.10 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.95 1qik n VAL 281 Cb 0.31 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.89 1qik n VAL 281 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1qik n LEU 282 N -1.37 3.79 0.25 1.34 4.77 -1.25 -4.84 117.00 119.68 1qik n LEU 282 Ca 0.07 1.17 0.14 0.00 -0.03 0.00 0.00 56.01 57.35 1qik n LEU 282 Cb 0.34 -1.51 0.53 0.00 -2.33 0.00 0.00 43.42 40.44 1qik n LEU 282 CO 0.33 -0.22 0.89 1.55 -1.33 0.00 0.00 177.39 178.61 1qik h PRO 283 N 3.83 0.00 -4.64 3.23 0.13 -1.96 -3.46 132.00 129.13 1qik h PRO 283 Ca -0.47 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 1qik h PRO 283 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1qik h PRO 283 CO 0.72 0.10 -0.67 -0.06 -0.23 0.00 0.00 178.00 177.86 1qik s PHE 284 N -3.60 1.02 -0.38 1.56 0.08 -1.26 -5.08 117.98 110.33 1qik s PHE 284 Ca 0.02 -1.06 -0.29 0.00 0.12 0.00 0.00 56.93 55.72 1qik s PHE 284 Cb 0.09 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.96 1qik s PHE 284 CO 0.60 -0.29 1.33 0.34 -0.10 0.00 0.00 175.22 177.09 1qik s ASP 285 N -3.10 6.51 0.20 1.36 -1.08 -1.26 -4.94 116.67 114.35 1qik s ASP 285 Ca 0.21 0.90 -0.06 0.00 -0.52 0.00 0.00 52.55 53.08 1qik s ASP 285 Cb 0.06 -2.54 -0.02 0.00 -1.46 0.00 0.00 42.92 38.96 1qik s ASP 285 CO 0.01 -1.28 0.25 -0.94 0.52 0.00 0.00 175.17 173.73 1qik s SER 286 N 3.28 0.08 -0.02 -0.34 1.04 -1.26 -4.66 113.70 111.81 1qik s SER 286 Ca 0.57 -1.12 0.05 0.00 0.48 0.00 0.00 55.95 55.93 1qik s SER 286 Cb -0.14 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1qik s SER 286 CO 0.29 -0.92 -0.17 -0.51 0.98 0.00 0.00 173.24 172.91 1qik s ILE 287 N -4.06 1.38 -0.93 -1.02 2.07 -0.63 -4.77 121.20 113.24 1qik s ILE 287 Ca 0.28 -0.74 -0.05 0.00 -1.41 0.00 0.00 60.65 58.73 1qik s ILE 287 Cb 0.04 -1.16 0.01 0.00 0.13 0.00 0.00 42.46 41.48 1qik s ILE 287 CO 0.07 0.39 0.81 0.33 -1.91 0.00 0.00 174.94 174.63 1qik n PHE 288 N 2.77 -1.94 -4.00 3.50 -0.00 -1.26 -4.77 117.46 111.75 1qik n PHE 288 Ca -0.16 0.70 -0.13 0.00 -0.00 0.00 0.00 57.45 57.87 1qik n PHE 288 Cb 0.54 -3.86 -0.13 0.00 -0.00 0.00 0.00 39.48 36.03 1qik n PHE 288 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1qik s ARG 289 N -5.78 0.26 0.06 -4.13 1.81 -1.26 -4.73 118.95 105.18 1qik s ARG 289 Ca 0.35 -0.27 0.06 0.00 -1.72 0.00 0.00 55.73 54.15 1qik s ARG 289 Cb -0.15 -0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.18 1qik s ARG 289 CO 0.51 0.03 -0.17 -0.06 -0.68 0.00 0.00 175.30 174.93 1qik s PHE 290 N -0.50 1.45 0.00 -0.53 0.08 -1.26 -5.07 117.98 112.15 1qik s PHE 290 Ca -0.04 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.62 1qik s PHE 290 Cb -0.04 -0.84 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1qik s PHE 290 CO -0.00 0.08 0.89 0.43 -0.10 0.00 0.00 175.22 176.52 1qik n SER 291 N 1.61 0.00 -4.47 1.36 7.64 -1.26 -4.58 113.62 113.92 1qik n SER 291 Ca -0.19 0.89 -0.41 0.00 1.01 0.00 0.00 58.87 60.17 1qik n SER 291 Cb 0.54 -0.39 -0.11 0.00 -1.01 0.00 0.00 64.21 63.25 1qik n SER 291 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1qik s PHE 292 N -2.55 3.23 0.23 1.43 0.08 -1.26 -5.00 117.98 114.14 1qik s PHE 292 Ca 0.00 -0.52 0.00 0.00 0.12 0.00 0.00 56.93 56.53 1qik s PHE 292 Cb 0.00 -2.48 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 1qik s PHE 292 CO 0.00 -0.50 0.12 0.14 -0.10 0.00 0.00 175.22 174.88 1qik s VAL 293 N 1.66 0.23 0.57 -0.44 -7.23 -1.26 -4.55 120.40 109.38 1qik s VAL 293 Ca 0.05 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.04 1qik s VAL 293 Cb -0.18 -2.55 -0.08 0.00 0.56 0.00 0.00 36.38 34.12 1qik s VAL 293 CO 0.09 0.00 0.58 -2.65 -0.31 0.00 0.00 175.10 172.81 1qik n PRO 294 N -0.36 0.56 -4.78 4.82 -0.02 -1.24 -4.68 135.00 129.29 1qik n PRO 294 Ca 0.01 0.22 -0.25 0.00 -2.02 0.00 0.00 63.50 61.46 1qik n PRO 294 Cb 0.66 -1.76 -0.16 0.00 -0.02 0.00 0.00 33.50 32.22 1qik n PRO 294 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qik s VAL 295 N -1.69 1.35 -1.05 -1.45 0.11 -1.26 -1.13 120.40 115.27 1qik s VAL 295 Ca 0.70 -0.67 -0.23 0.00 -2.93 0.00 0.00 61.98 58.84 1qik s VAL 295 Cb -0.44 -1.16 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1qik s VAL 295 CO 0.53 0.39 1.87 -0.63 -3.33 0.00 0.00 175.10 173.94 1qik s ILE 296 N 0.04 3.59 -0.00 7.04 -1.09 -0.21 -4.75 121.20 125.82 1qik s ILE 296 Ca -0.03 -0.74 -0.17 0.00 -2.23 0.00 0.00 60.65 57.48 1qik s ILE 296 Cb -0.11 -4.42 -0.34 0.00 -1.58 0.00 0.00 42.46 36.01 1qik s ILE 296 CO 0.02 -1.15 0.93 -2.24 -1.23 0.00 0.00 174.94 171.26 1qik h ASP 297 N 10.25 0.73 0.00 3.58 3.04 -1.88 -3.38 116.42 128.76 1qik h ASP 297 Ca 0.18 -0.93 0.00 0.00 -3.24 0.00 0.00 57.03 53.04 1qik h ASP 297 Cb 0.97 -0.24 0.00 0.00 -1.04 0.00 0.00 39.33 39.02 1qik h ASP 297 CO 1.26 1.64 0.00 0.61 -2.04 0.00 0.00 179.24 180.71 1qik n GLY 298 N 1.72 1.26 0.66 7.15 0.00 -0.88 -4.98 105.19 110.12 1qik n GLY 298 Ca -0.17 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qik n GLY 298 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qik n GLU 299 N 0.00 0.01 -0.26 1.61 1.02 -1.26 -4.27 120.64 117.48 1qik n GLU 299 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.18 1qik n GLU 299 Cb 0.00 -0.21 0.26 0.00 -0.02 0.00 0.00 31.44 31.47 1qik n GLU 299 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1qik h PHE 300 N -0.02 0.98 -3.82 -0.32 3.04 -1.93 -3.33 116.94 111.54 1qik h PHE 300 Ca 0.00 0.02 -0.67 0.00 3.98 0.00 0.00 57.97 61.30 1qik h PHE 300 Cb 0.02 -0.32 -0.36 0.00 2.56 0.00 0.00 35.95 37.85 1qik h PHE 300 CO -0.01 0.54 -0.76 -0.06 -2.02 0.00 0.00 178.31 176.01 1qik s PHE 301 N -5.86 3.30 0.13 0.41 0.08 -1.26 -4.30 117.98 110.48 1qik s PHE 301 Ca -0.11 -2.21 -0.31 0.00 0.12 0.00 0.00 56.93 54.42 1qik s PHE 301 Cb 0.19 -2.08 -0.10 0.00 -0.57 0.00 0.00 43.02 40.46 1qik s PHE 301 CO 0.79 -0.86 1.52 -1.35 -0.10 0.00 0.00 175.22 175.22 1qik h PRO 302 N 7.85 -0.34 0.00 0.24 0.11 -1.74 -2.33 132.00 135.78 1qik h PRO 302 Ca -0.19 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1qik h PRO 302 Cb 1.05 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1qik h PRO 302 CO 0.49 -0.23 0.00 0.25 -0.21 0.00 0.00 178.00 178.31 1qik n THR 303 N -5.23 0.00 -2.49 -1.15 -2.24 -1.26 -4.53 114.28 97.38 1qik n THR 303 Ca -0.03 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.43 1qik n THR 303 Cb 0.32 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1qik n THR 303 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qik s SER 304 N 1.00 6.66 0.22 3.42 1.04 -1.26 -4.85 113.70 119.93 1qik s SER 304 Ca 0.00 1.62 -0.09 0.00 0.48 0.00 0.00 55.95 57.96 1qik s SER 304 Cb 0.00 -2.52 0.19 0.00 0.10 0.00 0.00 66.02 63.79 1qik s SER 304 CO 0.00 -0.56 1.89 -0.07 0.98 0.00 0.00 173.24 175.48 1qik h LEU 305 N 1.17 0.93 -1.04 2.42 3.38 -1.99 -2.48 115.31 117.69 1qik h LEU 305 Ca -0.47 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 1qik h LEU 305 Cb 1.19 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 1qik h LEU 305 CO 0.61 0.67 0.51 -0.08 0.09 0.00 0.00 178.44 180.25 1qik h GLU 306 N 1.10 1.17 0.00 1.13 4.57 -1.99 -1.16 114.58 119.40 1qik h GLU 306 Ca 0.30 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.24 1qik h GLU 306 Cb -0.12 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 28.21 1qik h GLU 306 CO -0.07 0.82 -0.65 0.66 -1.18 0.00 0.00 179.01 178.60 1qik h SER 307 N 1.19 0.00 -0.23 1.04 4.64 -1.92 -2.22 113.55 116.05 1qik h SER 307 Ca 0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 1qik h SER 307 Cb -0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1qik h SER 307 CO -0.06 0.65 -0.09 0.24 -0.87 0.00 0.00 176.83 176.70 1qik h MET 308 N 0.00 0.47 -0.20 4.77 2.86 -0.96 -0.70 114.93 121.17 1qik h MET 308 Ca -0.01 -0.20 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1qik h MET 308 Cb 1.30 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.92 1qik h MET 308 CO 0.08 0.73 -0.11 -0.07 1.06 0.00 0.00 176.91 178.60 1qik h LEU 309 N 0.19 0.31 0.00 1.22 3.38 -1.18 -1.88 115.31 117.35 1qik h LEU 309 Ca 0.05 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1qik h LEU 309 Cb 0.57 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1qik h LEU 309 CO 0.03 0.46 -0.31 0.78 0.09 0.00 0.00 178.44 179.49 1qik h ASN 310 N 0.31 0.00 0.10 -0.43 2.35 -1.22 -3.26 115.58 113.43 1qik h ASN 310 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1qik h ASN 310 Cb 0.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1qik h ASN 310 CO 0.02 0.18 -0.34 -1.54 -1.65 0.00 0.00 177.43 174.10 1qik n SER 311 N -3.09 1.56 -0.25 5.81 3.41 -0.28 -4.93 113.62 115.85 1qik n SER 311 Ca 0.02 -1.24 -0.03 0.00 -0.26 0.00 0.00 58.87 57.37 1qik n SER 311 Cb 0.61 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.83 1qik n SER 311 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qik n GLY 312 N 1.37 0.63 3.57 5.00 0.00 -0.84 -4.93 105.19 109.98 1qik n GLY 312 Ca 0.11 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1qik n GLY 312 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qik s ASN 313 N -2.58 6.71 -0.29 1.61 2.47 -0.77 -4.85 114.94 117.24 1qik s ASN 313 Ca 0.00 -2.05 -0.35 0.00 0.42 0.00 0.00 52.86 50.88 1qik s ASN 313 Cb 0.00 -2.57 0.17 0.00 -1.45 0.00 0.00 41.25 37.40 1qik s ASN 313 CO 0.00 -1.30 1.38 0.72 -3.72 0.00 0.00 177.10 174.18 1qik s PHE 314 N 4.51 -0.01 -0.21 0.43 -0.12 -1.26 -4.73 117.98 116.59 1qik s PHE 314 Ca 0.51 0.02 -0.32 0.00 -0.05 0.00 0.00 56.93 57.08 1qik s PHE 314 Cb 0.02 0.50 -0.09 0.00 -0.63 0.00 0.00 43.02 42.82 1qik s PHE 314 CO 0.01 -0.02 2.11 1.17 -0.05 0.00 0.00 175.22 178.44 1qik n LYS 315 N 0.19 1.78 -2.95 1.99 4.81 -0.38 -4.93 118.16 118.67 1qik n LYS 315 Ca 0.04 0.55 -0.42 0.00 -0.87 0.00 0.00 58.31 57.60 1qik n LYS 315 Cb 0.57 -2.82 -0.05 0.00 0.02 0.00 0.00 35.03 32.75 1qik n LYS 315 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1qik s LYS 316 N 5.62 3.75 0.00 1.64 3.01 -1.26 -4.95 119.74 127.55 1qik s LYS 316 Ca 1.01 0.32 0.00 0.00 -1.01 0.00 0.00 55.97 56.29 1qik s LYS 316 Cb -0.60 -3.81 0.00 0.00 -1.01 0.00 0.00 37.83 32.41 1qik s LYS 316 CO 0.44 -0.86 0.00 -2.37 0.51 0.00 0.00 175.35 173.07 1qik n THR 317 N 5.81 0.00 -4.23 2.17 5.66 -1.26 -4.80 114.28 117.63 1qik n THR 317 Ca 0.03 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.75 1qik n THR 317 Cb 0.48 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 69.17 1qik n THR 317 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 1qik s GLN 318 N 2.68 2.17 -0.00 1.09 1.11 -1.26 -0.99 119.66 124.47 1qik s GLN 318 Ca 0.00 -1.07 -0.08 0.00 0.01 0.00 0.00 55.36 54.22 1qik s GLN 318 Cb 0.00 -2.30 0.00 0.00 -1.01 0.00 0.00 33.01 29.71 1qik s GLN 318 CO 0.00 0.49 0.15 0.96 0.01 0.00 0.00 175.29 176.89 1qik s ILE 319 N -1.39 0.08 -0.11 1.08 -4.36 -0.75 -2.87 121.20 112.88 1qik s ILE 319 Ca 0.23 -0.66 -0.01 0.00 -0.26 0.00 0.00 60.65 59.96 1qik s ILE 319 Cb -0.10 -0.44 0.03 0.00 1.25 0.00 0.00 42.46 43.20 1qik s ILE 319 CO 0.15 -0.36 -0.07 -0.22 0.24 0.00 0.00 174.94 174.68 1qik s LEU 320 N -1.33 1.17 0.10 0.37 0.20 -0.92 -1.57 118.68 116.70 1qik s LEU 320 Ca -0.14 -0.32 -0.07 0.00 0.69 0.00 0.00 54.13 54.29 1qik s LEU 320 Cb -0.07 -0.82 -0.01 0.00 -0.43 0.00 0.00 46.19 44.86 1qik s LEU 320 CO 0.02 -0.13 0.17 -1.48 -0.29 0.00 0.00 176.35 174.63 1qik s LEU 321 N 1.72 1.51 0.00 -0.68 2.34 0.25 -2.22 118.68 121.60 1qik s LEU 321 Ca 0.05 -0.81 -0.12 0.00 0.06 0.00 0.00 54.13 53.31 1qik s LEU 321 Cb -0.13 0.87 0.04 0.00 -0.56 0.00 0.00 46.19 46.42 1qik s LEU 321 CO -0.08 -0.75 0.56 0.61 -1.06 0.00 0.00 176.35 175.64 1qik n GLY 322 N -0.07 0.90 3.22 -3.48 0.00 -1.11 -1.52 105.19 103.13 1qik n GLY 322 Ca -0.12 -1.04 -0.14 0.00 0.00 0.00 0.00 46.02 44.72 1qik n GLY 322 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1qik s VAL 323 N -2.28 0.00 0.19 1.61 -7.23 -1.18 -1.17 120.40 110.34 1qik s VAL 323 Ca 0.13 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 1qik s VAL 323 Cb -0.01 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.38 1qik s VAL 323 CO 0.03 0.00 0.38 0.20 -0.31 0.00 0.00 175.10 175.40 1qik s ASN 324 N -3.22 6.40 0.21 4.85 0.01 -1.26 -0.71 114.94 121.22 1qik s ASN 324 Ca 0.39 0.42 -0.10 0.00 -0.71 0.00 0.00 52.86 52.87 1qik s ASN 324 Cb 0.06 -2.02 0.17 0.00 0.41 0.00 0.00 41.25 39.87 1qik s ASN 324 CO 0.16 -0.02 1.87 0.50 -1.51 0.00 0.00 177.10 178.10 1qik h LYS 325 N 2.14 1.05 -2.15 -0.60 3.64 -1.38 -3.33 116.57 115.93 1qik h LYS 325 Ca -0.48 -0.08 -0.59 0.00 -1.27 0.00 0.00 60.65 58.24 1qik h LYS 325 Cb 1.19 -0.23 -0.41 0.00 -0.41 0.00 0.00 32.23 32.36 1qik h LYS 325 CO 0.69 0.72 -0.73 -0.25 -2.27 0.00 0.00 179.45 177.61 1qik n ASP 326 N -4.51 2.89 -0.10 4.20 8.00 -1.06 -4.90 116.55 121.07 1qik n ASP 326 Ca 0.08 -3.27 -0.03 0.00 0.71 0.00 0.00 54.79 52.28 1qik n ASP 326 Cb 0.03 -0.66 0.20 0.00 -0.02 0.00 0.00 41.12 40.68 1qik n ASP 326 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1qik h GLU 327 N 4.06 0.76 0.96 -1.24 4.39 -1.76 -3.33 114.58 118.42 1qik h GLU 327 Ca 0.16 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1qik h GLU 327 Cb 0.71 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.26 1qik h GLU 327 CO 0.74 0.72 -0.46 0.78 -1.16 0.00 0.00 179.01 179.63 1qik h GLY 328 N 0.94 -1.34 -0.11 -3.84 0.00 -1.85 -3.37 103.07 93.51 1qik h GLY 328 Ca 0.16 0.50 0.02 0.00 0.00 0.00 0.00 47.33 48.00 1qik h GLY 328 CO 0.01 -0.49 -0.03 -1.14 0.00 0.00 0.00 176.54 174.89 1qik n SER 329 N -5.59 -0.05 -0.08 0.19 3.41 -1.26 -0.53 113.62 109.73 1qik n SER 329 Ca -0.16 0.19 0.20 0.00 -0.26 0.00 0.00 58.87 58.84 1qik n SER 329 Cb 0.51 -0.05 0.63 0.00 -0.26 0.00 0.00 64.21 65.04 1qik n SER 329 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qik h PHE 330 N 0.00 0.16 0.00 7.33 3.04 -1.84 -2.03 116.94 123.61 1qik h PHE 330 Ca 0.05 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 1qik h PHE 330 Cb 0.08 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.53 1qik h PHE 330 CO -0.09 0.06 -1.03 0.74 -2.02 0.00 0.00 178.31 175.98 1qik h PHE 331 N 0.14 0.00 -0.03 0.41 -1.00 -1.08 -3.29 116.94 112.09 1qik h PHE 331 Ca 0.32 0.00 -0.21 0.00 2.81 0.00 0.00 57.97 60.88 1qik h PHE 331 Cb 1.05 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 1qik h PHE 331 CO -0.00 0.12 -0.87 -0.07 -1.61 0.00 0.00 178.31 175.87 1qik h LEU 332 N 0.00 0.51 -0.56 1.54 3.38 -1.46 -2.02 115.31 116.69 1qik h LEU 332 Ca -0.03 -0.38 0.01 0.00 0.09 0.00 0.00 57.88 57.57 1qik h LEU 332 Cb 1.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 1qik h LEU 332 CO 0.01 1.16 0.37 0.25 0.09 0.00 0.00 178.44 180.32 1qik h LEU 333 N 0.24 0.64 0.00 1.67 5.85 -1.53 -0.62 115.31 121.56 1qik h LEU 333 Ca -0.06 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 1qik h LEU 333 Cb 1.49 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1qik h LEU 333 CO 0.15 0.46 -1.09 1.88 -0.34 0.00 0.00 178.44 179.49 1qik h TYR 334 N 0.75 0.00 0.00 1.25 -1.99 -1.63 -3.43 116.97 111.93 1qik h TYR 334 Ca 0.21 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.94 1qik h TYR 334 Cb -0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.66 1qik h TYR 334 CO -0.04 0.94 -0.68 0.41 -0.00 0.00 0.00 178.16 178.79 1qik n GLY 335 N 1.38 0.00 3.72 3.88 0.00 -0.76 -5.04 105.19 108.37 1qik n GLY 335 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1qik n GLY 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qik s ALA 336 N -1.38 3.39 0.20 4.61 0.00 -0.25 -5.03 121.76 123.31 1qik s ALA 336 Ca 0.00 0.01 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1qik s ALA 336 Cb 0.00 -2.83 -0.10 0.00 0.00 0.00 0.00 23.12 20.20 1qik s ALA 336 CO 0.00 -0.05 1.45 -1.25 0.00 0.00 0.00 175.76 175.91 1qik s PRO 337 N 0.69 4.28 0.00 0.00 0.04 -1.26 -3.32 135.00 135.43 1qik s PRO 337 Ca 0.33 2.26 0.00 0.00 0.04 0.00 0.00 61.00 63.62 1qik s PRO 337 Cb -0.17 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1qik s PRO 337 CO 0.15 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1qik n GLY 338 N 2.78 2.13 3.79 0.56 0.00 -1.26 -4.87 105.19 108.32 1qik n GLY 338 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1qik n GLY 338 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qik s PHE 339 N -1.98 3.60 -0.00 1.61 0.40 -1.21 -4.64 117.98 115.75 1qik s PHE 339 Ca 0.00 0.80 0.02 0.00 -0.60 0.00 0.00 56.93 57.14 1qik s PHE 339 Cb 0.00 -2.29 -0.00 0.00 0.51 0.00 0.00 43.02 41.23 1qik s PHE 339 CO 0.00 0.47 -0.05 -1.12 0.70 0.00 0.00 175.22 175.22 1qik s SER 340 N -0.36 0.58 0.63 1.36 0.01 -1.26 -4.88 113.70 109.77 1qik s SER 340 Ca 0.21 -0.09 0.40 0.00 1.31 0.00 0.00 55.95 57.77 1qik s SER 340 Cb -0.15 -0.07 2.10 0.00 0.21 0.00 0.00 66.02 68.12 1qik s SER 340 CO 0.09 0.06 2.27 0.50 0.41 0.00 0.00 173.24 176.57 1qik h LYS 341 N 6.03 0.00 -0.22 12.44 3.64 -1.99 -2.91 116.57 133.56 1qik h LYS 341 Ca -0.28 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1qik h LYS 341 Cb 1.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1qik h LYS 341 CO 0.50 0.01 0.00 -0.25 -2.27 0.00 0.00 179.45 177.44 1qik n ASP 342 N -3.22 3.12 -4.29 4.20 8.00 -1.26 -4.41 116.55 118.70 1qik n ASP 342 Ca -0.02 -2.57 -0.19 0.00 0.71 0.00 0.00 54.79 52.73 1qik n ASP 342 Cb 0.13 -0.36 -0.10 0.00 -0.02 0.00 0.00 41.12 40.77 1qik n ASP 342 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1qik s SER 343 N -1.64 1.62 0.00 -2.24 1.04 -1.10 -5.00 113.70 106.38 1qik s SER 343 Ca 0.29 -1.42 0.17 0.00 0.48 0.00 0.00 55.95 55.46 1qik s SER 343 Cb 0.22 0.16 0.71 0.00 0.10 0.00 0.00 66.02 67.21 1qik s SER 343 CO 0.09 -0.74 1.53 -0.62 0.98 0.00 0.00 173.24 174.49 1qik n GLU 344 N -0.56 0.01 -3.86 4.02 1.02 -1.26 -4.72 120.64 115.29 1qik n GLU 344 Ca -0.01 0.21 -0.30 0.00 -0.02 0.00 0.00 57.16 57.05 1qik n GLU 344 Cb 0.66 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1qik n GLU 344 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1qik n SER 345 N -1.49 -2.56 -4.73 1.62 7.64 -1.26 -4.90 113.62 107.94 1qik n SER 345 Ca 0.04 -1.04 -0.41 0.00 1.01 0.00 0.00 58.87 58.47 1qik n SER 345 Cb 0.19 -3.06 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1qik n SER 345 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1qik s LYS 346 N -6.41 4.59 -0.13 1.43 1.02 -1.26 -4.79 119.74 114.19 1qik s LYS 346 Ca 0.23 1.65 -0.04 0.00 0.02 0.00 0.00 55.97 57.83 1qik s LYS 346 Cb -0.09 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.87 1qik s LYS 346 CO 0.89 0.04 0.02 0.42 -0.92 0.00 0.00 175.35 175.79 1qik s ILE 347 N 0.10 4.41 0.82 2.17 -1.09 -0.71 -4.98 121.20 121.92 1qik s ILE 347 Ca 0.51 -0.19 -0.11 0.00 -2.23 0.00 0.00 60.65 58.63 1qik s ILE 347 Cb -0.28 -2.92 0.11 0.00 -1.58 0.00 0.00 42.46 37.79 1qik s ILE 347 CO 0.32 0.54 1.16 -0.94 -1.23 0.00 0.00 174.94 174.79 1qik s SER 348 N -0.21 4.25 0.11 3.58 1.04 -1.26 -4.16 113.70 117.04 1qik s SER 348 Ca 0.06 0.53 -0.21 0.00 0.48 0.00 0.00 55.95 56.81 1qik s SER 348 Cb -0.12 -0.95 -0.08 0.00 0.10 0.00 0.00 66.02 64.96 1qik s SER 348 CO 0.02 -2.02 1.75 0.03 0.98 0.00 0.00 173.24 174.00 1qik h ARG 349 N -1.06 0.12 -0.20 4.02 2.47 -1.94 -0.30 114.38 117.50 1qik h ARG 349 Ca -0.45 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.30 1qik h ARG 349 Cb 1.30 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.56 1qik h ARG 349 CO 0.57 0.08 -0.05 0.93 0.56 0.00 0.00 179.97 182.06 1qik h GLU 350 N 0.13 0.00 -0.21 0.04 4.39 -1.99 -1.48 114.58 115.45 1qik h GLU 350 Ca 0.06 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 1qik h GLU 350 Cb 0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1qik h GLU 350 CO -0.05 0.00 -0.25 -0.44 -1.16 0.00 0.00 179.01 177.11 1qik h ASP 351 N 0.00 0.40 0.32 1.42 3.32 -1.86 -1.52 116.42 118.50 1qik h ASP 351 Ca 0.09 -0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qik h ASP 351 Cb 0.14 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1qik h ASP 351 CO -0.20 0.65 -0.32 0.15 -1.72 0.00 0.00 179.24 177.79 1qik h PHE 352 N 0.36 -0.87 0.00 4.55 3.57 -0.39 0.13 116.94 124.29 1qik h PHE 352 Ca 0.05 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1qik h PHE 352 Cb 0.63 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.71 1qik h PHE 352 CO 0.02 -0.46 -0.14 0.52 -2.23 0.00 0.00 178.31 176.02 1qik h MET 353 N -0.67 0.00 0.00 1.11 2.86 -1.15 0.40 114.93 117.47 1qik h MET 353 Ca -0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1qik h MET 353 Cb 0.61 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.27 1qik h MET 353 CO -0.07 0.14 -0.25 0.77 1.06 0.00 0.00 176.91 178.57 1qik h SER 354 N 0.00 0.00 -0.09 1.22 0.02 -0.40 -2.75 113.55 111.55 1qik h SER 354 Ca -0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1qik h SER 354 Cb 0.29 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1qik h SER 354 CO 0.02 0.25 -0.54 1.23 -1.14 0.00 0.00 176.83 176.65 1qik h GLY 355 N 1.92 0.58 2.00 -3.77 0.00 0.25 -2.78 103.07 101.27 1qik h GLY 355 Ca -0.00 -0.84 -0.05 0.00 0.00 0.00 0.00 47.33 46.43 1qik h GLY 355 CO 0.03 0.75 -0.25 -2.08 0.00 0.00 0.00 176.54 174.99 1qik h VAL 356 N 0.12 1.12 -0.30 4.60 2.07 -1.18 -0.09 116.25 122.59 1qik h VAL 356 Ca -0.04 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 1qik h VAL 356 Cb 1.19 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1qik h VAL 356 CO 0.11 0.24 -0.28 0.50 0.02 0.00 0.00 177.57 178.16 1qik h LYS 357 N 0.00 0.72 -0.01 1.57 1.63 -1.47 -2.28 116.57 116.72 1qik h LYS 357 Ca -0.00 -0.37 -0.11 0.00 -0.85 0.00 0.00 60.65 59.32 1qik h LYS 357 Cb 0.46 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.08 1qik h LYS 357 CO 0.03 0.99 -0.50 -0.07 -3.45 0.00 0.00 179.45 176.45 1qik h LEU 358 N 0.47 0.04 0.14 5.20 4.07 -1.12 -3.24 115.31 120.86 1qik h LEU 358 Ca 0.05 -0.02 -0.29 0.00 0.08 0.00 0.00 57.88 57.70 1qik h LEU 358 Cb 0.85 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.58 1qik h LEU 358 CO 0.07 0.53 -1.33 0.28 -1.08 0.00 0.00 178.44 176.91 1qik h SER 359 N 0.03 0.45 -2.25 -0.43 0.02 -0.95 -1.68 113.55 108.74 1qik h SER 359 Ca -0.00 -0.51 -0.62 0.00 -0.84 0.00 0.00 61.79 59.82 1qik h SER 359 Cb 0.90 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 62.88 1qik h SER 359 CO 0.07 1.41 -0.48 0.52 -1.14 0.00 0.00 176.83 177.21 1qik n VAL 360 N -3.53 2.69 0.01 2.27 0.31 -0.87 -4.87 118.33 114.35 1qik n VAL 360 Ca -0.11 -5.32 0.18 0.00 -0.01 0.00 0.00 64.34 59.08 1qik n VAL 360 Cb 1.04 -2.04 0.65 0.00 -0.91 0.00 0.00 33.84 32.58 1qik n VAL 360 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qik h PRO 361 N 4.17 0.07 -1.01 5.55 0.13 -1.72 -2.46 132.00 136.72 1qik h PRO 361 Ca 0.20 -0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.92 1qik h PRO 361 Cb 0.64 -0.02 -0.24 0.00 0.13 0.00 0.00 31.00 31.52 1qik h PRO 361 CO 0.88 0.04 0.51 -2.39 -0.23 0.00 0.00 178.00 176.82 1qik n HIS 362 N -4.41 2.37 -5.15 1.56 1.44 -1.26 -4.93 115.22 104.83 1qik n HIS 362 Ca 0.09 -1.58 -0.32 0.00 -2.01 0.00 0.00 57.72 53.90 1qik n HIS 362 Cb 0.52 -0.81 -0.16 0.00 0.12 0.00 0.00 29.99 29.67 1qik n HIS 362 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qik s ALA 363 N -2.55 2.29 1.16 1.59 0.00 -0.93 -5.10 121.76 118.22 1qik s ALA 363 Ca 0.44 -1.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 1qik s ALA 363 Cb 0.37 -0.80 0.27 0.00 0.00 0.00 0.00 23.12 22.96 1qik s ALA 363 CO 0.08 0.40 1.12 0.54 0.00 0.00 0.00 175.76 177.90 1qik s ASN 364 N -0.10 1.24 0.55 0.00 2.20 -1.26 -4.69 114.94 112.88 1qik s ASN 364 Ca -0.05 0.68 0.36 0.00 -0.94 0.00 0.00 52.86 52.91 1qik s ASN 364 Cb -0.14 -0.96 1.79 0.00 -2.00 0.00 0.00 41.25 39.94 1qik s ASN 364 CO 0.04 -3.93 2.10 0.44 -2.94 0.00 0.00 177.10 172.81 1qik h ASP 365 N -2.45 0.00 0.31 3.54 5.19 -2.00 -1.80 116.42 119.21 1qik h ASP 365 Ca -0.46 0.00 -0.33 0.00 -0.62 0.00 0.00 57.03 55.62 1qik h ASP 365 Cb 1.30 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.84 1qik h ASP 365 CO 0.37 0.00 -1.45 0.25 -3.12 0.00 0.00 179.24 175.29 1qik h LEU 366 N 0.00 0.80 -0.48 1.55 5.85 -2.00 -3.13 115.31 117.90 1qik h LEU 366 Ca 0.00 -0.85 -0.05 0.00 0.84 0.00 0.00 57.88 57.81 1qik h LEU 366 Cb 0.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1qik h LEU 366 CO 0.00 1.67 0.09 1.23 -0.34 0.00 0.00 178.44 181.09 1qik h GLY 367 N 0.35 0.85 1.49 3.75 0.00 -1.68 -1.17 103.07 106.66 1qik h GLY 367 Ca -0.24 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 46.60 1qik h GLY 367 CO 0.27 0.51 0.20 1.41 0.00 0.00 0.00 176.54 178.93 1qik h LEU 368 N 0.66 0.10 -0.01 3.11 3.38 -1.49 0.36 115.31 121.43 1qik h LEU 368 Ca 0.15 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.88 1qik h LEU 368 Cb 0.37 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1qik h LEU 368 CO 0.01 0.07 -0.91 0.44 0.09 0.00 0.00 178.44 178.14 1qik h ASP 369 N 0.11 0.81 0.38 -0.43 5.19 -1.33 -2.33 116.42 118.82 1qik h ASP 369 Ca 0.13 -0.74 -0.01 0.00 -0.62 0.00 0.00 57.03 55.79 1qik h ASP 369 Cb 0.39 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.64 1qik h ASP 369 CO -0.02 1.44 -0.24 0.00 -3.12 0.00 0.00 179.24 177.31 1qik h ALA 370 N 0.38 -0.59 -0.66 3.45 0.00 0.10 -0.10 119.26 121.84 1qik h ALA 370 Ca -0.11 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1qik h ALA 370 Cb 1.57 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.58 1qik h ALA 370 CO 0.18 -0.84 0.25 0.28 0.00 0.00 0.00 179.25 179.11 1qik h VAL 371 N -0.59 0.73 -0.67 0.00 2.07 -1.06 -1.06 116.25 115.67 1qik h VAL 371 Ca -0.04 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 1qik h VAL 371 Cb 0.49 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1qik h VAL 371 CO 0.04 0.08 0.28 0.74 0.02 0.00 0.00 177.57 178.73 1qik h THR 372 N 0.42 1.24 -0.41 2.57 2.02 -1.11 -2.10 112.91 115.53 1qik h THR 372 Ca 0.34 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.74 1qik h THR 372 Cb 0.46 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1qik h THR 372 CO -0.34 0.29 0.01 0.25 0.37 0.00 0.00 175.52 176.09 1qik h LEU 373 N 0.94 0.70 -1.89 2.58 5.85 -0.47 -2.68 115.31 120.33 1qik h LEU 373 Ca 0.22 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1qik h LEU 373 Cb 0.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1qik h LEU 373 CO -0.02 0.83 -0.05 -0.61 -0.34 0.00 0.00 178.44 178.25 1qik h GLN 374 N 0.55 0.00 -0.04 1.25 5.75 -1.03 -3.21 115.11 118.38 1qik h GLN 374 Ca 0.12 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1qik h GLN 374 Cb 0.46 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1qik h GLN 374 CO 0.02 0.05 -0.10 0.66 -2.65 0.00 0.00 178.83 176.81 1qik n TYR 375 N -3.24 0.13 -4.54 3.99 4.01 -0.81 -5.02 117.16 111.69 1qik n TYR 375 Ca -0.01 -1.11 -0.27 0.00 -0.16 0.00 0.00 57.90 56.35 1qik n TYR 375 Cb 0.25 -0.20 -0.17 0.00 -0.31 0.00 0.00 39.34 38.91 1qik n TYR 375 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1qik s THR 376 N -2.96 1.34 -0.83 -0.72 2.01 -1.02 -4.85 115.64 108.61 1qik s THR 376 Ca 0.35 -0.57 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 1qik s THR 376 Cb 0.31 -1.23 0.12 0.00 0.01 0.00 0.00 72.50 71.71 1qik s THR 376 CO 0.01 0.41 1.03 -0.62 -0.69 0.00 0.00 174.62 174.76 1qik s ASP 377 N 0.84 6.50 0.00 3.53 2.15 -1.26 -4.88 116.67 123.55 1qik s ASP 377 Ca -0.10 -1.81 0.03 0.00 0.43 0.00 0.00 52.55 51.11 1qik s ASP 377 Cb -0.15 -2.38 0.18 0.00 -0.30 0.00 0.00 42.92 40.26 1qik s ASP 377 CO 0.01 -1.12 0.88 0.79 -0.17 0.00 0.00 175.17 175.57 1qik n TRP 378 N 6.60 0.00 0.89 -5.34 7.02 -1.26 -0.00 117.44 125.35 1qik n TRP 378 Ca 0.14 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.75 1qik n TRP 378 Cb 0.47 -0.23 0.32 0.00 -2.42 0.00 0.00 31.31 29.45 1qik n TRP 378 CO 0.00 0.00 0.00 -1.33 -2.02 0.00 0.00 177.69 174.34 1qik n MET 379 N -1.23 0.08 -2.52 -0.99 2.81 -1.26 -4.11 117.12 109.89 1qik n MET 379 Ca 0.02 0.03 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 1qik n MET 379 Cb 0.02 -1.56 0.07 0.00 -0.71 0.00 0.00 33.22 31.05 1qik n MET 379 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1qik n ASP 380 N -1.67 0.26 -0.04 7.83 2.03 1.00 -4.99 116.55 120.96 1qik n ASP 380 Ca 0.05 -2.09 0.24 0.00 0.52 0.00 0.00 54.79 53.52 1qik n ASP 380 Cb 0.36 0.01 0.65 0.00 -0.72 0.00 0.00 41.12 41.42 1qik n ASP 380 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 1qik h ASP 381 N 1.70 0.00 -0.54 1.67 2.03 -1.32 -1.26 116.42 118.71 1qik h ASP 381 Ca -0.29 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.81 1qik h ASP 381 Cb 1.35 0.00 -0.12 0.00 -0.83 0.00 0.00 39.33 39.73 1qik h ASP 381 CO 0.01 0.00 0.15 0.59 -1.03 0.00 0.00 179.24 178.96 1qik n ASN 382 N -3.58 3.65 -4.50 4.15 3.02 -1.26 -4.79 115.26 111.94 1qik n ASN 382 Ca 0.14 -3.43 -0.43 0.00 -0.03 0.00 0.00 54.58 50.84 1qik n ASN 382 Cb 0.97 -0.68 -0.04 0.00 -0.61 0.00 0.00 39.78 39.42 1qik n ASN 382 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1qik s ASN 383 N -1.80 6.28 0.51 6.41 3.04 -0.48 -4.92 114.94 123.99 1qik s ASN 383 Ca 0.49 -0.54 0.26 0.00 0.04 0.00 0.00 52.86 53.11 1qik s ASN 383 Cb 0.41 -2.44 1.36 0.00 -1.54 0.00 0.00 41.25 39.04 1qik s ASN 383 CO 0.07 -1.33 1.94 1.23 -3.04 0.00 0.00 177.10 175.97 1qik h GLY 384 N 11.21 0.17 2.00 1.21 0.00 -1.90 0.32 103.07 116.08 1qik h GLY 384 Ca -0.27 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 46.89 1qik h GLY 384 CO 1.13 0.01 -0.64 -2.22 0.00 0.00 0.00 176.54 174.81 1qik h ILE 385 N 0.09 1.16 0.08 2.60 2.04 -1.91 -1.77 117.51 119.80 1qik h ILE 385 Ca 0.35 -2.48 -0.25 0.00 1.00 0.00 0.00 64.86 63.47 1qik h ILE 385 Cb 1.26 2.47 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1qik h ILE 385 CO -0.03 0.63 -1.13 0.11 0.00 0.00 0.00 178.15 177.72 1qik h LYS 386 N 0.00 0.25 -0.04 2.37 1.57 -1.35 -1.95 116.57 117.42 1qik h LYS 386 Ca -0.01 -0.38 -0.13 0.00 -1.87 0.00 0.00 60.65 58.26 1qik h LYS 386 Cb 1.42 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.85 1qik h LYS 386 CO 0.08 1.15 -0.58 -0.91 -0.57 0.00 0.00 179.45 178.62 1qik h ASN 387 N 0.09 0.13 0.02 0.86 2.35 -1.29 0.06 115.58 117.81 1qik h ASN 387 Ca -0.10 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1qik h ASN 387 Cb 1.84 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1qik h ASN 387 CO 0.18 0.69 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.55 1qik h ARG 388 N 0.09 -0.02 0.00 0.81 2.43 -1.45 -2.12 114.38 114.12 1qik h ARG 388 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1qik h ARG 388 Cb 1.05 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1qik h ARG 388 CO 0.08 0.50 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.52 1qik h ASP 389 N -0.57 0.00 -0.05 -3.80 3.32 -1.32 -1.09 116.42 112.91 1qik h ASP 389 Ca -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1qik h ASP 389 Cb 0.54 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.10 1qik h ASP 389 CO 0.00 0.08 -0.72 1.23 -1.72 0.00 0.00 179.24 178.12 1qik h GLY 390 N 1.70 0.64 0.93 2.75 0.00 -0.93 -2.07 103.07 106.09 1qik h GLY 390 Ca -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 47.33 46.29 1qik h GLY 390 CO 0.01 0.91 0.15 -2.00 0.00 0.00 0.00 176.54 175.60 1qik h LEU 391 N 0.19 0.43 -0.86 3.11 5.85 -1.06 0.02 115.31 122.99 1qik h LEU 391 Ca -0.07 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.59 1qik h LEU 391 Cb 1.38 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.23 1qik h LEU 391 CO 0.14 0.46 0.51 -0.78 -0.34 0.00 0.00 178.44 178.43 1qik h ASP 392 N 0.38 0.75 -0.15 1.25 1.82 -1.22 -2.03 116.42 117.23 1qik h ASP 392 Ca 0.11 0.04 -0.04 0.00 -0.39 0.00 0.00 57.03 56.75 1qik h ASP 392 Cb 0.14 -0.11 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 1qik h ASP 392 CO -0.01 0.44 -0.05 0.44 -1.61 0.00 0.00 179.24 178.45 1qik h ASP 393 N 0.87 0.30 -0.23 2.28 3.32 -0.62 -2.83 116.42 119.51 1qik h ASP 393 Ca 0.41 -0.38 0.06 0.00 0.02 0.00 0.00 57.03 57.13 1qik h ASP 393 Cb 0.33 -0.08 -0.07 0.00 0.22 0.00 0.00 39.33 39.73 1qik h ASP 393 CO -0.23 0.61 -0.23 0.40 -1.72 0.00 0.00 179.24 178.07 1qik h ILE 394 N -0.02 0.42 -0.77 0.35 2.04 -0.53 0.14 117.51 119.14 1qik h ILE 394 Ca 0.04 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.96 1qik h ILE 394 Cb 0.49 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.93 1qik h ILE 394 CO 0.02 0.00 0.46 0.58 0.00 0.00 0.00 178.15 179.21 1qik h VAL 395 N -0.24 1.01 -0.04 1.67 2.07 -1.42 -1.76 116.25 117.54 1qik h VAL 395 Ca 0.13 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 1qik h VAL 395 Cb 0.44 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1qik h VAL 395 CO -0.37 0.15 -0.28 1.23 0.02 0.00 0.00 177.57 178.33 1qik h GLY 396 N 0.84 0.29 0.92 2.17 0.00 -1.15 -2.72 103.07 103.42 1qik h GLY 396 Ca 0.34 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1qik h GLY 396 CO -0.17 0.38 -0.04 -0.55 0.00 0.00 0.00 176.54 176.16 1qik h ASP 397 N -0.29 -0.10 0.05 0.19 3.32 -0.64 0.14 116.42 119.09 1qik h ASP 397 Ca -0.02 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.96 1qik h ASP 397 Cb 0.95 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 1qik h ASP 397 CO 0.06 -0.06 -0.24 -0.74 -1.72 0.00 0.00 179.24 176.54 1qik h HIS 398 N -0.07 0.35 0.00 4.55 -0.00 -1.45 0.15 115.15 118.69 1qik h HIS 398 Ca 0.01 -0.07 -0.19 0.00 -0.00 0.00 0.00 60.37 60.13 1qik h HIS 398 Cb 0.08 -0.09 -0.04 0.00 -0.00 0.00 0.00 27.41 27.37 1qik h HIS 398 CO -0.11 0.55 -2.04 0.09 -0.00 0.00 0.00 177.93 176.43 1qik n ASN 399 N -4.15 0.18 0.04 3.26 3.02 -1.02 -4.62 115.26 111.97 1qik n ASN 399 Ca -0.01 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1qik n ASN 399 Cb 0.37 1.20 0.00 0.00 -0.61 0.00 0.00 39.78 40.74 1qik n ASN 399 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qik n VAL 400 N -2.59 0.29 0.20 2.41 0.31 0.43 -4.72 118.33 114.65 1qik n VAL 400 Ca -0.17 0.10 -0.12 0.00 -0.01 0.00 0.00 64.34 64.14 1qik n VAL 400 Cb 0.87 -1.03 -0.06 0.00 -0.91 0.00 0.00 33.84 32.70 1qik n VAL 400 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1qik h ILE 401 N 0.00 0.32 0.00 2.52 2.04 -1.45 -2.11 117.51 118.84 1qik h ILE 401 Ca 0.00 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.22 1qik h ILE 401 Cb 0.28 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1qik h ILE 401 CO 0.00 0.07 -0.09 0.00 0.00 0.00 0.00 178.15 178.13 1qik h PRO 403 N 0.00 0.41 -0.18 0.00 0.11 -1.70 -2.92 132.00 127.72 1qik h PRO 403 Ca -0.00 -0.41 -0.17 0.00 0.11 0.00 0.00 66.00 65.53 1qik h PRO 403 Cb 0.17 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1qik h PRO 403 CO 0.01 1.07 -0.58 1.25 -0.21 0.00 0.00 178.00 179.54 1qik h LEU 404 N 0.24 0.64 -1.45 2.35 6.46 -0.88 -2.61 115.31 120.06 1qik h LEU 404 Ca -0.07 -0.36 -0.06 0.00 -0.12 0.00 0.00 57.88 57.28 1qik h LEU 404 Cb 1.51 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 1qik h LEU 404 CO 0.15 1.08 -0.27 0.24 -0.62 0.00 0.00 178.44 179.03 1qik h MET 405 N 0.43 0.00 -0.01 1.25 2.86 -1.28 0.35 114.93 118.53 1qik h MET 405 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 1qik h MET 405 Cb 1.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.80 1qik h MET 405 CO 0.11 0.27 -0.87 1.25 1.06 0.00 0.00 176.91 178.73 1qik h HIS 406 N 0.00 0.45 0.13 -0.22 -0.00 -1.34 -2.34 115.15 111.83 1qik h HIS 406 Ca -0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 1qik h HIS 406 Cb 0.57 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1qik h HIS 406 CO 0.00 1.04 -0.06 0.35 -0.00 0.00 0.00 177.93 179.25 1qik h PHE 407 N 0.18 -0.16 -0.74 5.26 3.57 -1.01 -2.05 116.94 121.99 1qik h PHE 407 Ca -0.05 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.51 1qik h PHE 407 Cb 1.49 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 1qik h PHE 407 CO 0.04 0.30 0.49 -0.24 -2.23 0.00 0.00 178.31 176.67 1qik h VAL 408 N -0.73 1.01 -0.15 1.41 3.04 -1.03 0.44 116.25 120.24 1qik h VAL 408 Ca -0.02 -0.26 -0.12 0.00 -1.01 0.00 0.00 66.70 65.29 1qik h VAL 408 Cb 0.53 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 1qik h VAL 408 CO 0.03 0.14 -0.39 0.78 -1.01 0.00 0.00 177.57 177.12 1qik h ASN 409 N 0.76 0.59 -0.61 3.17 2.35 -1.44 -1.05 115.58 119.35 1qik h ASN 409 Ca 0.32 -0.58 -0.05 0.00 -0.55 0.00 0.00 56.30 55.45 1qik h ASN 409 Cb 0.29 -0.17 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1qik h ASN 409 CO -0.11 1.07 0.21 0.11 -1.65 0.00 0.00 177.43 177.05 1qik h LYS 410 N 0.14 0.95 0.72 0.81 1.79 -0.57 -3.27 116.57 117.13 1qik h LYS 410 Ca -0.01 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 1qik h LYS 410 Cb 1.00 -0.14 0.01 0.00 -1.58 0.00 0.00 32.23 31.51 1qik h LYS 410 CO 0.08 0.83 -0.34 -0.92 -1.08 0.00 0.00 179.45 178.02 1qik h TYR 411 N 0.87 -0.89 -0.66 -1.35 3.20 -0.16 -3.07 116.97 114.91 1qik h TYR 411 Ca 0.20 -0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.24 1qik h TYR 411 Cb 0.27 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1qik h TYR 411 CO 0.02 -0.53 0.96 1.15 -1.64 0.00 0.00 178.16 178.12 1qik h THR 412 N -1.14 0.07 0.00 1.81 2.02 -1.24 0.38 112.91 114.81 1qik h THR 412 Ca -0.10 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1qik h THR 412 Cb 0.76 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qik h THR 412 CO 0.16 0.00 -0.23 0.50 0.37 0.00 0.00 175.52 176.32 1qik h LYS 413 N 0.00 0.00 0.00 6.66 3.64 -1.59 -3.29 116.57 121.99 1qik h LYS 413 Ca 0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1qik h LYS 413 Cb 2.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.06 1qik h LYS 413 CO -0.00 0.23 0.00 1.19 -2.27 0.00 0.00 179.45 178.60 1qik n PHE 414 N -3.52 0.00 -2.01 1.91 3.01 0.12 -5.08 117.46 111.89 1qik n PHE 414 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.16 1qik n PHE 414 Cb 0.39 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.02 1qik n PHE 414 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1qik s GLY 415 N -0.07 1.76 -0.25 1.37 0.00 -0.52 -4.78 107.32 104.83 1qik s GLY 415 Ca 0.00 -1.21 0.10 0.00 0.00 0.00 0.00 44.72 43.62 1qik s GLY 415 CO 0.00 -0.49 1.35 -2.01 0.00 0.00 0.00 173.10 171.95 1qik n ASN 416 N -3.60 2.21 0.00 1.64 4.05 -0.16 -4.92 115.26 114.48 1qik n ASN 416 Ca 0.14 -3.78 0.00 0.00 0.45 0.00 0.00 54.58 51.40 1qik n ASN 416 Cb 0.60 -0.58 0.00 0.00 1.23 0.00 0.00 39.78 41.02 1qik n ASN 416 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1qik n GLY 417 N -1.12 3.72 2.97 8.20 0.00 -1.24 -4.71 105.19 113.02 1qik n GLY 417 Ca 0.27 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 1qik n GLY 417 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qik s THR 418 N 0.00 0.72 -0.16 2.61 2.01 -1.26 -1.80 115.64 117.77 1qik s THR 418 Ca 0.00 -0.30 -0.00 0.00 0.31 0.00 0.00 61.69 61.70 1qik s THR 418 Cb 0.00 -0.66 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1qik s THR 418 CO 0.00 0.24 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.78 1qik s TYR 419 N 0.38 1.83 -0.09 4.92 2.02 -0.61 0.09 117.35 125.90 1qik s TYR 419 Ca -0.06 -1.10 0.01 0.00 -0.37 0.00 0.00 57.07 55.56 1qik s TYR 419 Cb -0.10 -1.39 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 1qik s TYR 419 CO 0.01 -0.62 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.08 1qik s LEU 420 N 1.59 2.84 0.34 -1.29 2.96 -1.26 -0.58 118.68 123.29 1qik s LEU 420 Ca 0.02 -0.21 0.05 0.00 -0.22 0.00 0.00 54.13 53.78 1qik s LEU 420 Cb -0.14 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.87 1qik s LEU 420 CO -0.08 0.27 0.02 -0.72 -1.32 0.00 0.00 176.35 174.52 1qik s TYR 421 N -0.29 2.13 -0.26 5.38 -0.85 -0.57 -2.43 117.35 120.46 1qik s TYR 421 Ca 0.03 -0.82 -0.04 0.00 -0.52 0.00 0.00 57.07 55.72 1qik s TYR 421 Cb -0.13 -1.40 0.10 0.00 0.38 0.00 0.00 41.96 40.91 1qik s TYR 421 CO 0.03 0.19 0.16 0.12 -1.52 0.00 0.00 175.55 174.52 1qik s PHE 422 N -3.07 0.11 -0.39 -3.49 5.36 -0.15 -3.07 117.98 113.27 1qik s PHE 422 Ca 0.35 -0.54 -0.28 0.00 -0.96 0.00 0.00 56.93 55.50 1qik s PHE 422 Cb 0.08 -0.74 0.02 0.00 -0.34 0.00 0.00 43.02 42.05 1qik s PHE 422 CO 0.16 -0.76 1.04 0.12 -1.46 0.00 0.00 175.22 174.32 1qik s PHE 423 N 2.17 3.01 -0.36 10.12 5.36 0.11 -1.21 117.98 137.18 1qik s PHE 423 Ca 0.07 0.86 0.13 0.00 -0.96 0.00 0.00 56.93 57.03 1qik s PHE 423 Cb -0.16 -3.94 0.45 0.00 -0.34 0.00 0.00 43.02 39.03 1qik s PHE 423 CO -0.28 -0.97 1.01 0.27 -1.46 0.00 0.00 175.22 173.79 1qik n ASN 424 N 7.17 2.64 -4.05 6.13 6.94 -1.24 -1.35 115.26 131.50 1qik n ASN 424 Ca 0.10 -3.07 -0.31 0.00 -0.02 0.00 0.00 54.58 51.29 1qik n ASN 424 Cb 0.48 -0.50 -0.16 0.00 -2.36 0.00 0.00 39.78 37.23 1qik n ASN 424 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1qik s HIS 425 N -3.29 2.30 -0.26 -2.53 2.46 -1.26 -4.90 115.29 107.82 1qik s HIS 425 Ca 0.35 -1.28 -0.22 0.00 0.47 0.00 0.00 55.06 54.38 1qik s HIS 425 Cb 0.44 -1.66 -0.01 0.00 -0.13 0.00 0.00 32.58 31.22 1qik s HIS 425 CO -0.04 -0.67 0.71 0.50 -2.47 0.00 0.00 174.74 172.77 1qik s ARG 426 N 1.34 4.11 0.51 2.88 3.52 -1.26 -4.87 118.95 125.19 1qik s ARG 426 Ca 0.03 0.68 -0.22 0.00 -0.13 0.00 0.00 55.73 56.09 1qik s ARG 426 Cb -0.13 -3.66 -0.07 0.00 -1.56 0.00 0.00 34.95 29.53 1qik s ARG 426 CO -0.10 -0.48 1.11 0.00 -0.81 0.00 0.00 175.30 175.02 1qik n ALA 427 N 5.86 0.65 0.20 6.12 0.00 -1.26 -4.90 120.51 127.18 1qik n ALA 427 Ca 0.02 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.66 1qik n ALA 427 Cb 0.48 -2.18 0.37 0.00 0.00 0.00 0.00 19.45 18.12 1qik n ALA 427 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qik h SER 428 N 1.22 0.00 -0.52 0.00 4.64 -1.95 -3.21 113.55 113.72 1qik h SER 428 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1qik h SER 428 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1qik h SER 428 CO 0.55 0.31 0.00 -0.46 -0.87 0.00 0.00 176.83 176.36 1qik n ASN 429 N -3.45 3.85 -4.77 4.97 0.23 -1.26 -4.98 115.26 109.85 1qik n ASN 429 Ca 0.00 -2.33 -0.41 0.00 -0.53 0.00 0.00 54.58 51.31 1qik n ASN 429 Cb 0.49 -0.51 -0.01 0.00 -2.08 0.00 0.00 39.78 37.67 1qik n ASN 429 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1qik s LEU 430 N -1.53 4.36 0.00 -4.53 1.43 -1.22 -4.93 118.68 112.26 1qik s LEU 430 Ca 0.41 2.90 0.24 0.00 -1.03 0.00 0.00 54.13 56.65 1qik s LEU 430 Cb 0.26 -3.65 0.33 0.00 0.03 0.00 0.00 46.19 43.16 1qik s LEU 430 CO 0.20 -0.78 1.29 1.33 0.23 0.00 0.00 176.35 178.63 1qik n VAL 431 N 1.00 0.00 -2.23 -1.59 0.24 -1.26 -4.94 118.33 109.55 1qik n VAL 431 Ca 0.02 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 1qik n VAL 431 Cb 0.40 0.55 -0.00 0.00 -1.47 0.00 0.00 33.84 33.32 1qik n VAL 431 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1qik s TRP 432 N -2.85 3.57 1.04 6.34 0.52 -1.26 -5.00 118.94 121.30 1qik s TRP 432 Ca 0.14 1.18 -0.11 0.00 0.02 0.00 0.00 56.10 57.32 1qik s TRP 432 Cb 0.18 -2.60 0.22 0.00 -1.15 0.00 0.00 33.47 30.11 1qik s TRP 432 CO 0.69 -0.49 1.09 -1.25 0.02 0.00 0.00 176.95 177.02 1qik s PRO 433 N -4.78 0.02 0.16 4.98 0.04 -1.26 -4.93 135.00 129.23 1qik s PRO 433 Ca 0.53 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1qik s PRO 433 Cb -0.11 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1qik s PRO 433 CO 0.46 -3.22 1.59 0.93 0.04 0.00 0.00 177.00 176.80 1qik h GLU 434 N -2.28 0.99 0.00 4.56 4.39 -1.94 -3.03 114.58 117.26 1qik h GLU 434 Ca -0.52 -0.36 0.00 0.00 0.34 0.00 0.00 59.36 58.82 1qik h GLU 434 Cb 1.30 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1qik h GLU 434 CO 0.45 1.04 0.07 -2.67 -1.16 0.00 0.00 179.01 176.74 1qik n TRP 435 N -4.19 0.27 0.11 4.33 4.27 -1.26 -0.46 117.44 120.51 1qik n TRP 435 Ca 0.01 0.14 0.04 0.00 -3.89 0.00 0.00 57.50 53.80 1qik n TRP 435 Cb 0.39 -0.67 0.01 0.00 -1.36 0.00 0.00 31.31 29.68 1qik n TRP 435 CO 0.00 0.00 0.00 0.52 -2.29 0.00 0.00 177.69 175.92 1qik h MET 436 N 0.00 0.00 0.00 -2.67 2.86 -1.89 -3.49 114.93 109.74 1qik h MET 436 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1qik h MET 436 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1qik h MET 436 CO 0.00 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.69 1qik n GLY 437 N 1.25 2.49 3.56 8.32 0.00 0.40 -4.10 105.19 117.11 1qik n GLY 437 Ca -0.01 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 1qik n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qik s VAL 438 N 0.00 4.17 0.54 1.61 1.01 -1.26 -4.87 120.40 121.61 1qik s VAL 438 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 61.98 60.03 1qik s VAL 438 Cb 0.00 -5.14 -0.06 0.00 0.00 0.00 0.00 36.38 31.18 1qik s VAL 438 CO 0.00 -1.96 1.13 -0.38 0.00 0.00 0.00 175.10 173.89 1qik n ILE 439 N 6.32 3.48 -1.63 2.22 5.41 -1.26 -2.57 119.36 131.33 1qik n ILE 439 Ca 0.44 -0.50 -0.46 0.00 1.00 0.00 0.00 62.75 63.23 1qik n ILE 439 Cb 0.47 -1.35 -0.03 0.00 -0.71 0.00 0.00 39.64 38.01 1qik n ILE 439 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 1qik n HIS 440 N -1.19 1.76 0.00 1.39 -0.00 -1.25 -2.14 115.22 113.79 1qik n HIS 440 Ca 0.11 0.56 0.00 0.00 -0.00 0.00 0.00 57.72 58.39 1qik n HIS 440 Cb 0.44 -2.37 0.00 0.00 -0.00 0.00 0.00 29.99 28.07 1qik n HIS 440 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1qik n GLY 441 N 1.93 2.39 0.12 1.57 0.00 -1.26 -4.85 105.19 105.10 1qik n GLY 441 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1qik n GLY 441 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qik n TYR 442 N -1.90 0.00 0.74 1.61 4.02 -0.91 -2.18 117.16 118.54 1qik n TYR 442 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1qik n TYR 442 Cb 0.00 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.35 1qik n TYR 442 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 1qik n GLU 443 N -0.36 0.18 -0.13 -0.72 0.00 -1.26 -4.20 120.64 114.14 1qik n GLU 443 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 57.16 57.07 1qik n GLU 443 Cb 0.05 -1.56 -0.00 0.00 0.00 0.00 0.00 31.44 29.93 1qik n GLU 443 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 1qik h ILE 444 N 0.00 1.13 -0.75 3.84 2.04 -1.85 -2.66 117.51 119.25 1qik h ILE 444 Ca 0.00 -0.29 0.19 0.00 1.00 0.00 0.00 64.86 65.76 1qik h ILE 444 Cb 0.64 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1qik h ILE 444 CO 0.00 0.13 0.52 1.05 0.00 0.00 0.00 178.15 179.85 1qik h GLU 445 N 0.53 0.18 0.04 2.37 4.11 -1.79 0.98 114.58 120.98 1qik h GLU 445 Ca 0.14 -0.01 -0.22 0.00 0.07 0.00 0.00 59.36 59.34 1qik h GLU 445 Cb -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1qik h GLU 445 CO -0.03 0.12 -1.00 0.74 0.07 0.00 0.00 179.01 178.91 1qik h PHE 446 N 0.18 0.33 -0.49 2.06 -1.00 -1.74 -0.62 116.94 115.65 1qik h PHE 446 Ca 0.37 -0.20 -0.10 0.00 2.81 0.00 0.00 57.97 60.84 1qik h PHE 446 Cb 1.18 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 1qik h PHE 446 CO -0.00 1.07 -0.09 0.28 -1.61 0.00 0.00 178.31 177.96 1qik h VAL 447 N 0.09 1.27 -0.10 -0.55 2.07 -0.64 -2.62 116.25 115.77 1qik h VAL 447 Ca -0.07 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1qik h VAL 447 Cb 1.68 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1qik h VAL 447 CO 0.15 0.42 0.00 0.49 0.02 0.00 0.00 177.57 178.66 1qik n PHE 448 N -4.23 0.12 -2.12 1.57 3.01 -0.47 -4.68 117.46 110.66 1qik n PHE 448 Ca 0.01 -0.06 -0.16 0.00 1.01 0.00 0.00 57.45 58.24 1qik n PHE 448 Cb 0.38 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.83 1qik n PHE 448 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qik n GLY 449 N 1.01 0.12 0.31 1.37 0.00 -0.87 -4.05 105.19 103.09 1qik n GLY 449 Ca 0.16 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 46.10 1qik n GLY 449 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qik h LEU 450 N 0.00 0.00 -2.28 0.99 -0.00 -1.41 -2.05 115.31 110.56 1qik h LEU 450 Ca -0.37 0.00 0.02 0.00 -0.00 0.00 0.00 57.88 57.53 1qik h LEU 450 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.89 1qik h LEU 450 CO 0.46 0.00 0.07 -0.65 -0.00 0.00 0.00 178.44 178.32 1qik h PRO 451 N 0.00 0.00 0.00 1.13 0.11 -1.92 -2.24 132.00 129.08 1qik h PRO 451 Ca 0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1qik h PRO 451 Cb 0.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1qik h PRO 451 CO -0.00 0.00 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.55 1qik h LEU 452 N 0.00 0.00 -8.61 2.35 3.38 -1.69 -3.40 115.31 107.34 1qik h LEU 452 Ca 0.04 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.40 1qik h LEU 452 Cb 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.82 1qik h LEU 452 CO -0.00 0.17 0.54 0.54 0.09 0.00 0.00 178.44 179.78 1qik s VAL 453 N -4.48 4.48 0.14 1.22 0.11 -0.84 -4.94 120.40 116.09 1qik s VAL 453 Ca -0.04 0.55 -0.28 0.00 -2.93 0.00 0.00 61.98 59.29 1qik s VAL 453 Cb 0.15 -4.45 -0.06 0.00 -1.53 0.00 0.00 36.38 30.49 1qik s VAL 453 CO 0.66 -0.90 1.45 0.29 -3.33 0.00 0.00 175.10 173.28 1qik n LYS 454 N 7.18 -0.39 0.21 1.54 4.76 -1.26 -1.65 118.16 128.54 1qik n LYS 454 Ca 0.04 1.43 0.05 0.00 -2.87 0.00 0.00 58.31 56.96 1qik n LYS 454 Cb 0.48 -2.10 0.26 0.00 -1.84 0.00 0.00 35.03 31.83 1qik n LYS 454 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1qik h GLU 455 N 0.00 0.00 -0.00 1.97 9.09 -1.95 0.33 114.58 124.02 1qik h GLU 455 Ca 0.14 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1qik h GLU 455 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1qik h GLU 455 CO -0.84 0.00 -0.17 1.28 0.05 0.00 0.00 179.01 179.33 1qik n LEU 456 N -2.11 0.22 -1.99 3.06 4.77 -0.66 -4.98 117.00 115.31 1qik n LEU 456 Ca -0.01 0.27 -0.08 0.00 -0.03 0.00 0.00 56.01 56.16 1qik n LEU 456 Cb 0.55 -0.37 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1qik n LEU 456 CO 0.04 0.05 0.07 0.59 -1.33 0.00 0.00 177.39 176.81 1qik n ASN 457 N -1.42 -2.63 -4.97 -1.43 3.02 0.11 -5.00 115.26 102.95 1qik n ASN 457 Ca 0.08 -0.26 -0.21 0.00 -0.03 0.00 0.00 54.58 54.16 1qik n ASN 457 Cb 0.33 -2.51 -0.01 0.00 -0.61 0.00 0.00 39.78 36.98 1qik n ASN 457 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qik s TYR 458 N -3.15 3.38 0.72 3.10 1.51 -1.26 -4.63 117.35 117.02 1qik s TYR 458 Ca 0.08 0.03 -0.10 0.00 -1.01 0.00 0.00 57.07 56.07 1qik s TYR 458 Cb -0.04 -1.76 0.05 0.00 -0.11 0.00 0.00 41.96 40.10 1qik s TYR 458 CO 0.32 0.24 1.08 0.95 -1.11 0.00 0.00 175.55 177.03 1qik s THR 459 N -2.12 2.72 0.20 -0.71 -4.23 -1.26 -4.88 115.64 105.35 1qik s THR 459 Ca 0.38 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.85 1qik s THR 459 Cb -0.09 -3.20 0.13 0.00 1.34 0.00 0.00 72.50 70.68 1qik s THR 459 CO 0.31 -0.24 1.86 0.00 -0.54 0.00 0.00 174.62 176.01 1qik h ALA 460 N -0.71 0.88 0.00 3.99 0.00 -1.98 -1.74 119.26 119.69 1qik h ALA 460 Ca -0.45 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1qik h ALA 460 Cb 1.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1qik h ALA 460 CO 0.63 0.32 -0.38 1.05 0.00 0.00 0.00 179.25 180.87 1qik h GLU 461 N 0.94 0.00 -0.25 0.00 9.09 -1.99 -2.46 114.58 119.91 1qik h GLU 461 Ca 0.25 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.58 1qik h GLU 461 Cb -0.08 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.02 1qik h GLU 461 CO -0.05 0.38 -0.15 0.93 0.05 0.00 0.00 179.01 180.17 1qik h GLU 462 N 0.00 0.55 -0.26 1.06 5.08 -1.73 -1.38 114.58 117.89 1qik h GLU 462 Ca -0.00 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1qik h GLU 462 Cb 0.78 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 1qik h GLU 462 CO 0.05 0.82 0.13 1.49 -1.00 0.00 0.00 179.01 180.50 1qik h GLU 463 N 0.27 0.36 -0.24 2.33 4.81 -1.17 -0.36 114.58 120.58 1qik h GLU 463 Ca 0.05 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1qik h GLU 463 Cb 0.67 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1qik h GLU 463 CO 0.04 0.29 -0.01 0.00 -0.73 0.00 0.00 179.01 178.60 1qik h ALA 464 N 1.78 0.32 -0.94 2.92 0.00 -1.16 -2.17 119.26 120.02 1qik h ALA 464 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1qik h ALA 464 Cb 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1qik h ALA 464 CO -0.01 0.06 0.62 1.25 0.00 0.00 0.00 179.25 181.17 1qik h LEU 465 N 0.20 1.03 -0.88 0.00 5.85 -0.28 -1.64 115.31 119.58 1qik h LEU 465 Ca 0.07 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1qik h LEU 465 Cb 0.42 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1qik h LEU 465 CO 0.01 0.71 0.09 -1.28 -0.34 0.00 0.00 178.44 177.63 1qik h SER 466 N 1.19 0.88 -0.15 1.25 0.87 -0.84 -1.92 113.55 114.82 1qik h SER 466 Ca 0.37 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.56 1qik h SER 466 Cb -0.00 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 1qik h SER 466 CO -0.11 0.88 -0.59 0.03 -0.53 0.00 0.00 176.83 176.51 1qik h ARG 467 N 0.87 0.76 -0.14 2.24 3.08 -0.70 -1.21 114.38 119.27 1qik h ARG 467 Ca 0.18 -0.50 0.02 0.00 0.07 0.00 0.00 59.98 59.75 1qik h ARG 467 Cb 0.39 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 1qik h ARG 467 CO 0.01 1.13 0.02 0.00 -1.07 0.00 0.00 179.97 180.06 1qik h ARG 468 N 0.57 0.07 -0.39 0.04 3.08 -1.13 -1.49 114.38 115.13 1qik h ARG 468 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1qik h ARG 468 Cb 1.18 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1qik h ARG 468 CO 0.12 0.05 0.19 0.82 -1.07 0.00 0.00 179.97 180.08 1qik h ILE 469 N 0.08 1.17 -0.09 2.04 2.04 -1.30 -0.07 117.51 121.39 1qik h ILE 469 Ca 0.06 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1qik h ILE 469 Cb 0.06 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1qik h ILE 469 CO -0.09 0.18 -0.04 0.24 0.00 0.00 0.00 178.15 178.44 1qik h MET 470 N 0.49 0.13 0.00 2.37 2.86 -1.05 0.10 114.93 119.83 1qik h MET 470 Ca 0.13 -0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1qik h MET 470 Cb 0.12 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1qik h MET 470 CO -0.02 0.18 -0.57 1.25 1.06 0.00 0.00 176.91 178.82 1qik h HIS 471 N 0.13 0.00 0.04 -0.22 -0.00 -0.76 -0.59 115.15 113.75 1qik h HIS 471 Ca 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1qik h HIS 471 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1qik h HIS 471 CO 0.00 0.57 -0.02 1.88 -0.00 0.00 0.00 177.93 180.36 1qik h TYR 472 N 0.00 -0.06 -0.32 5.26 0.05 0.52 -0.85 116.97 121.57 1qik h TYR 472 Ca -0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1qik h TYR 472 Cb 1.34 0.02 -0.02 0.00 1.01 0.00 0.00 36.73 39.09 1qik h TYR 472 CO 0.00 0.57 0.18 -1.49 -1.05 0.00 0.00 178.16 176.37 1qik h TRP 473 N -0.76 0.44 -0.54 4.88 -0.00 -1.09 -0.57 115.95 118.29 1qik h TRP 473 Ca -0.01 -0.01 -0.09 0.00 -0.00 0.00 0.00 58.89 58.78 1qik h TRP 473 Cb 0.65 -0.14 -0.02 0.00 -0.00 0.00 0.00 29.16 29.65 1qik h TRP 473 CO 0.15 0.34 -0.03 0.00 -0.00 0.00 0.00 178.44 178.90 1qik h ALA 474 N 1.05 0.74 -0.56 1.49 0.00 -1.19 0.00 119.26 120.79 1qik h ALA 474 Ca 0.11 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1qik h ALA 474 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1qik h ALA 474 CO -0.02 0.58 -0.10 1.15 0.00 0.00 0.00 179.25 180.87 1qik h THR 475 N 0.86 1.27 -0.39 0.00 2.02 -1.03 -2.46 112.91 113.17 1qik h THR 475 Ca 0.15 -1.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 1qik h THR 475 Cb 0.57 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1qik h THR 475 CO 0.03 0.45 0.03 0.15 0.37 0.00 0.00 175.52 176.55 1qik h PHE 476 N 0.93 0.72 -0.82 3.16 3.57 -0.97 0.26 116.94 123.79 1qik h PHE 476 Ca 0.15 -0.11 0.08 0.00 3.53 0.00 0.00 57.97 61.61 1qik h PHE 476 Cb 0.67 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 1qik h PHE 476 CO 0.05 0.73 0.54 0.00 -2.23 0.00 0.00 178.31 177.39 1qik h ALA 477 N 0.90 1.65 0.06 2.41 0.00 -0.83 0.53 119.26 123.97 1qik h ALA 477 Ca 0.11 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1qik h ALA 477 Cb 0.42 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1qik h ALA 477 CO 0.01 0.20 -0.38 0.87 0.00 0.00 0.00 179.25 179.96 1qik h LYS 478 N 0.85 0.15 0.00 0.00 1.57 -1.20 -3.42 116.57 114.52 1qik h LYS 478 Ca 0.37 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1qik h LYS 478 Cb 0.31 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1qik h LYS 478 CO -0.14 1.09 -1.22 0.25 -0.57 0.00 0.00 179.45 178.86 1qik n THR 479 N -4.39 0.00 -0.66 -0.16 -2.24 0.06 -5.00 114.28 101.88 1qik n THR 479 Ca -0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1qik n THR 479 Cb 0.63 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1qik n THR 479 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qik n GLY 480 N 1.64 0.61 3.30 3.38 0.00 0.18 -5.02 105.19 109.29 1qik n GLY 480 Ca -0.01 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.38 1qik n GLY 480 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qik s ASN 481 N -2.50 -0.42 0.41 1.61 3.84 -1.26 -4.95 114.94 111.68 1qik s ASN 481 Ca 0.00 1.01 0.29 0.00 0.21 0.00 0.00 52.86 54.37 1qik s ASN 481 Cb 0.00 1.18 1.34 0.00 -0.55 0.00 0.00 41.25 43.22 1qik s ASN 481 CO 0.00 -0.22 1.88 1.55 -2.79 0.00 0.00 177.10 177.52 1qik h PRO 482 N 7.72 0.00 -6.24 0.43 0.13 -1.84 -3.16 132.00 129.04 1qik h PRO 482 Ca -0.24 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.32 1qik h PRO 482 Cb 1.14 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.23 1qik h PRO 482 CO 0.18 0.00 -0.20 -0.80 -0.23 0.00 0.00 178.00 176.96 1qik s ASN 483 N -4.76 6.64 0.09 1.44 0.01 -1.26 -4.49 114.94 112.61 1qik s ASN 483 Ca 0.01 0.84 -0.30 0.00 -0.71 0.00 0.00 52.86 52.69 1qik s ASN 483 Cb 0.09 -2.19 -0.06 0.00 0.41 0.00 0.00 41.25 39.50 1qik s ASN 483 CO 0.40 0.08 1.16 -1.61 -1.51 0.00 0.00 177.10 175.62 1qik s GLU 484 N -2.28 4.48 0.00 -0.60 0.41 -1.26 -4.98 118.70 114.47 1qik s GLU 484 Ca 0.39 1.74 0.00 0.00 -0.41 0.00 0.00 54.97 56.69 1qik s GLU 484 Cb -0.13 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1qik s GLU 484 CO 0.20 -0.16 0.45 -2.30 -0.49 0.00 0.00 175.26 172.96 1qik n PRO 485 N 3.50 0.00 -0.94 0.39 -0.02 -1.26 -2.40 135.00 134.27 1qik n PRO 485 Ca 0.07 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.91 1qik n PRO 485 Cb 0.47 -0.76 0.19 0.00 -0.02 0.00 0.00 33.50 33.38 1qik n PRO 485 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1qik n HIS 486 N -1.69 1.57 -0.45 6.00 8.25 -1.26 -5.04 115.22 122.60 1qik n HIS 486 Ca 0.00 -1.70 -0.29 0.00 -0.26 0.00 0.00 57.72 55.47 1qik n HIS 486 Cb 0.00 -0.61 0.26 0.00 1.12 0.00 0.00 29.99 30.77 1qik n HIS 486 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1qik n SER 487 N -1.13 -2.19 -0.20 0.41 2.88 -1.01 -4.96 113.62 107.42 1qik n SER 487 Ca 0.40 -0.28 0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1qik n SER 487 Cb 1.17 -1.19 0.01 0.00 -0.75 0.00 0.00 64.21 63.45 1qik n SER 487 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qik n GLN 488 N -4.90 1.31 -1.30 -1.46 1.13 -1.26 -5.03 117.38 105.86 1qik n GLN 488 Ca 0.03 -0.67 -0.29 0.00 -1.94 0.00 0.00 57.00 54.13 1qik n GLN 488 Cb 0.55 -1.04 0.20 0.00 0.11 0.00 0.00 30.24 30.06 1qik n GLN 488 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1qik s GLU 489 N -0.85 -0.12 0.21 -1.09 0.41 -1.26 -4.99 118.70 111.02 1qik s GLU 489 Ca 0.07 0.10 -0.30 0.00 -0.41 0.00 0.00 54.97 54.42 1qik s GLU 489 Cb 0.05 -1.71 -0.09 0.00 -1.78 0.00 0.00 34.13 30.61 1qik s GLU 489 CO 0.13 -3.01 1.25 -1.12 -0.49 0.00 0.00 175.26 172.02 1qik s SER 490 N -3.94 6.98 0.06 -0.19 0.01 -1.26 -5.01 113.70 110.36 1qik s SER 490 Ca 0.68 2.35 -0.25 0.00 1.31 0.00 0.00 55.95 60.05 1qik s SER 490 Cb -0.12 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.44 1qik s SER 490 CO 0.55 -0.44 0.78 -0.54 0.41 0.00 0.00 173.24 174.00 1qik s LYS 491 N -0.41 4.51 -0.84 12.44 -0.14 -1.26 -5.00 119.74 129.04 1qik s LYS 491 Ca 0.54 1.09 -0.23 0.00 -1.36 0.00 0.00 55.97 56.01 1qik s LYS 491 Cb -0.35 -3.35 0.07 0.00 -1.68 0.00 0.00 37.83 32.52 1qik s LYS 491 CO 0.39 0.32 1.22 -0.46 -0.76 0.00 0.00 175.35 176.06 1qik s TRP 492 N -0.19 2.63 0.63 3.18 -0.11 -1.26 -5.00 118.94 118.82 1qik s TRP 492 Ca 0.39 -0.70 -0.18 0.00 1.22 0.00 0.00 56.10 56.83 1qik s TRP 492 Cb -0.21 -4.49 -0.04 0.00 -1.50 0.00 0.00 33.47 27.23 1qik s TRP 492 CO 0.24 -1.80 0.86 -0.35 -4.62 0.00 0.00 176.95 171.27 1qik n PRO 493 N 8.21 0.71 -2.53 5.86 -0.04 -1.26 -4.92 135.00 141.03 1qik n PRO 493 Ca 0.15 0.29 -0.35 0.00 -0.04 0.00 0.00 63.50 63.54 1qik n PRO 493 Cb 0.49 -2.08 -0.04 0.00 -0.04 0.00 0.00 33.50 31.83 1qik n PRO 493 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1qik s LEU 494 N -1.67 4.00 -0.18 1.53 2.96 -1.26 -4.72 118.68 119.33 1qik s LEU 494 Ca 0.74 2.01 -0.17 0.00 -0.22 0.00 0.00 54.13 56.48 1qik s LEU 494 Cb -0.40 -4.35 -0.04 0.00 0.50 0.00 0.00 46.19 41.90 1qik s LEU 494 CO 0.49 -0.64 0.47 0.12 -1.32 0.00 0.00 176.35 175.46 1qik s PHE 495 N -1.79 3.40 0.04 5.38 2.19 0.11 -4.46 117.98 122.86 1qik s PHE 495 Ca 0.62 0.74 0.06 0.00 0.33 0.00 0.00 56.93 58.69 1qik s PHE 495 Cb -0.20 -2.60 -0.02 0.00 -1.31 0.00 0.00 43.02 38.89 1qik s PHE 495 CO 0.25 -0.02 -0.18 0.95 1.83 0.00 0.00 175.22 178.05 1qik s THR 496 N 1.33 1.45 0.41 0.12 -4.23 -1.26 -4.33 115.64 109.13 1qik s THR 496 Ca 0.23 -1.12 0.23 0.00 -1.18 0.00 0.00 61.69 59.86 1qik s THR 496 Cb -0.15 -1.28 0.42 0.00 1.34 0.00 0.00 72.50 72.84 1qik s THR 496 CO 0.09 0.13 1.67 0.74 -0.54 0.00 0.00 174.62 176.71 1qik h THR 497 N 4.42 0.26 0.11 3.99 2.02 -1.95 0.15 112.91 121.92 1qik h THR 497 Ca -0.41 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1qik h THR 497 Cb 1.17 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1qik h THR 497 CO 0.44 0.04 -0.05 0.50 0.37 0.00 0.00 175.52 176.82 1qik h LYS 498 N 0.21 -0.14 -0.21 6.66 3.64 -2.01 -3.40 116.57 121.32 1qik h LYS 498 Ca 0.74 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 60.01 1qik h LYS 498 Cb 2.09 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.94 1qik h LYS 498 CO -0.43 -0.09 -0.35 0.93 -2.27 0.00 0.00 179.45 177.23 1qik h GLU 499 N -0.60 0.62 -5.62 1.90 4.39 -1.88 -3.48 114.58 109.91 1qik h GLU 499 Ca -0.01 -0.38 -0.35 0.00 0.34 0.00 0.00 59.36 58.96 1qik h GLU 499 Cb 0.11 0.04 0.15 0.00 -0.10 0.00 0.00 28.75 28.95 1qik h GLU 499 CO 0.02 0.99 -0.71 1.04 -1.16 0.00 0.00 179.01 179.19 1qik n GLN 500 N -4.27 -6.98 -2.52 2.33 6.02 0.51 -4.53 117.38 107.93 1qik n GLN 500 Ca -0.05 0.82 -0.31 0.00 -0.01 0.00 0.00 57.00 57.44 1qik n GLN 500 Cb 0.51 -5.79 -0.03 0.00 1.02 0.00 0.00 30.24 25.95 1qik n GLN 500 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1qik s LYS 501 N -5.70 3.88 0.26 -1.09 1.02 -1.26 -2.38 119.74 114.47 1qik s LYS 501 Ca 0.23 0.80 -0.20 0.00 0.02 0.00 0.00 55.97 56.82 1qik s LYS 501 Cb -0.10 -2.21 0.02 0.00 -0.52 0.00 0.00 37.83 35.02 1qik s LYS 501 CO 0.71 -0.21 0.66 -0.59 -0.92 0.00 0.00 175.35 175.00 1qik s PHE 502 N -2.57 -0.12 0.17 3.18 -0.71 -1.11 -4.40 117.98 112.41 1qik s PHE 502 Ca 0.56 -0.30 0.07 0.00 -1.04 0.00 0.00 56.93 56.22 1qik s PHE 502 Cb -0.10 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 1qik s PHE 502 CO 0.32 -1.16 -0.15 0.96 -1.34 0.00 0.00 175.22 173.85 1qik s ILE 503 N -3.92 1.62 0.32 -4.49 -4.36 -1.02 -0.56 121.20 108.78 1qik s ILE 503 Ca 0.12 -1.99 -0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1qik s ILE 503 Cb -0.05 -1.84 -0.06 0.00 1.25 0.00 0.00 42.46 41.77 1qik s ILE 503 CO 0.05 -0.48 0.63 -1.81 0.24 0.00 0.00 174.94 173.57 1qik s ASP 504 N -2.89 6.49 -0.45 4.36 1.01 -1.14 -0.98 116.67 123.07 1qik s ASP 504 Ca 0.17 0.88 0.03 0.00 0.71 0.00 0.00 52.55 54.33 1qik s ASP 504 Cb -0.03 -2.21 0.13 0.00 1.01 0.00 0.00 42.92 41.82 1qik s ASP 504 CO 0.05 -0.25 0.23 -0.22 0.21 0.00 0.00 175.17 175.19 1qik s LEU 505 N -3.57 3.27 0.31 1.23 2.96 -0.35 -4.67 118.68 117.87 1qik s LEU 505 Ca 0.47 -2.66 -0.05 0.00 -0.22 0.00 0.00 54.13 51.67 1qik s LEU 505 Cb -0.11 -1.24 -0.00 0.00 0.50 0.00 0.00 46.19 45.34 1qik s LEU 505 CO 0.29 -0.27 0.46 0.54 -1.32 0.00 0.00 176.35 176.05 1qik s ASN 506 N 0.26 0.64 0.00 3.68 2.20 -1.26 -3.61 114.94 116.86 1qik s ASN 506 Ca 0.17 -1.36 0.00 0.00 -0.94 0.00 0.00 52.86 50.72 1qik s ASN 506 Cb -0.24 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.64 1qik s ASN 506 CO -0.02 -1.24 0.41 0.35 -2.94 0.00 0.00 177.10 173.67 1qik n THR 507 N -0.51 0.30 -4.44 0.54 -2.24 -1.26 -4.78 114.28 101.90 1qik n THR 507 Ca 0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 1qik n THR 507 Cb 0.62 -0.54 -0.11 0.00 -2.10 0.00 0.00 70.33 68.20 1qik n THR 507 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1qik s GLU 508 N -0.19 1.57 -0.39 -0.78 2.02 -1.26 -5.06 118.70 114.61 1qik s GLU 508 Ca 0.00 -1.62 -0.39 0.00 0.02 0.00 0.00 54.97 52.98 1qik s GLU 508 Cb 0.00 -1.78 -0.15 0.00 0.10 0.00 0.00 34.13 32.30 1qik s GLU 508 CO 0.00 0.36 2.10 -2.30 0.02 0.00 0.00 175.26 175.44 1qik n PRO 509 N -0.09 0.70 -1.04 0.39 -0.02 -1.26 -4.74 135.00 128.95 1qik n PRO 509 Ca -0.10 0.21 -0.40 0.00 -2.02 0.00 0.00 63.50 61.19 1qik n PRO 509 Cb 0.58 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 31.94 1qik n PRO 509 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1qik n MET 510 N 7.47 0.00 -4.67 -0.52 0.00 -1.26 -4.96 117.12 113.18 1qik n MET 510 Ca 0.43 0.00 -0.25 0.00 -0.00 0.00 0.00 57.70 57.89 1qik n MET 510 Cb 0.12 -1.00 -0.16 0.00 0.00 0.00 0.00 33.22 32.18 1qik n MET 510 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 1qik s LYS 511 N -0.10 1.61 0.17 2.12 1.02 -1.26 -5.06 119.74 118.23 1qik s LYS 511 Ca 0.61 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.07 1qik s LYS 511 Cb -0.85 -1.38 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1qik s LYS 511 CO 0.40 0.15 0.39 0.08 -0.92 0.00 0.00 175.35 175.44 1qik s VAL 512 N 0.26 5.18 0.00 3.17 1.01 -1.26 -2.89 120.40 125.86 1qik s VAL 512 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1qik s VAL 512 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.59 1qik s VAL 512 CO 0.02 -0.05 0.00 1.41 0.00 0.00 0.00 175.10 176.49 1qik n HIS 513 N -0.21 -0.03 -3.71 5.22 8.25 0.27 -4.96 115.22 120.06 1qik n HIS 513 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.29 1qik n HIS 513 Cb 0.52 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 1qik n HIS 513 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1qik s GLN 514 N -0.25 0.80 -0.76 -0.41 -0.21 -1.26 -2.77 119.66 114.81 1qik s GLN 514 Ca 0.00 -0.23 -0.04 0.00 0.02 0.00 0.00 55.36 55.11 1qik s GLN 514 Cb 0.00 0.36 0.01 0.00 1.00 0.00 0.00 33.01 34.37 1qik s GLN 514 CO 0.00 -0.25 0.64 0.54 -2.12 0.00 0.00 175.29 174.10 1qik n ARG 515 N 0.92 -1.54 -1.68 2.91 1.74 -1.00 -4.79 116.66 113.21 1qik n ARG 515 Ca -0.20 1.09 -0.50 0.00 -0.77 0.00 0.00 57.85 57.47 1qik n ARG 515 Cb 0.58 -3.45 -0.05 0.00 -1.02 0.00 0.00 32.46 28.52 1qik n ARG 515 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1qik n LEU 516 N -2.09 3.29 -3.99 0.55 7.94 -1.26 -2.88 117.00 118.56 1qik n LEU 516 Ca -0.19 0.99 -0.32 0.00 -1.11 0.00 0.00 56.01 55.39 1qik n LEU 516 Cb 0.63 -1.34 -0.03 0.00 0.53 0.00 0.00 43.42 43.20 1qik n LEU 516 CO 0.59 -0.11 -0.26 0.54 -1.11 0.00 0.00 177.39 177.04 1qik n ARG 517 N 6.36 -0.66 -0.12 1.96 1.74 -1.26 -4.88 116.66 119.80 1qik n ARG 517 Ca 0.23 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1qik n ARG 517 Cb 0.27 -2.32 0.06 0.00 -1.02 0.00 0.00 32.46 29.45 1qik n ARG 517 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1qik h VAL 518 N -1.39 1.27 -0.32 1.55 -1.51 -1.89 -0.96 116.25 112.99 1qik h VAL 518 Ca -0.55 -1.33 0.07 0.00 -1.23 0.00 0.00 66.70 63.66 1qik h VAL 518 Cb 1.13 1.14 -0.07 0.00 -2.13 0.00 0.00 31.29 31.36 1qik h VAL 518 CO 0.49 0.45 -0.11 -0.61 -1.23 0.00 0.00 177.57 176.56 1qik h GLN 519 N 0.75 -0.05 0.20 5.19 5.75 -1.90 -0.60 115.11 124.47 1qik h GLN 519 Ca 0.11 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.29 1qik h GLN 519 Cb 0.73 0.01 0.03 0.00 1.07 0.00 0.00 27.48 29.33 1qik h GLN 519 CO 0.06 -0.03 -1.38 0.52 -2.65 0.00 0.00 178.83 175.34 1qik h MET 520 N -0.05 0.55 -0.31 1.69 2.86 -1.96 -3.22 114.93 114.49 1qik h MET 520 Ca 0.16 -0.86 0.04 0.00 -2.06 0.00 0.00 59.70 56.99 1qik h MET 520 Cb 0.29 0.31 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 1qik h MET 520 CO -0.36 1.40 0.21 0.00 1.06 0.00 0.00 176.91 179.22 1qik h VAL 522 N 0.22 1.43 -0.40 0.00 2.07 -1.17 -1.00 116.25 117.41 1qik h VAL 522 Ca 0.13 -2.25 -0.15 0.00 0.82 0.00 0.00 66.70 65.25 1qik h VAL 522 Cb 0.25 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 32.21 1qik h VAL 522 CO -0.02 0.66 -0.33 0.15 0.02 0.00 0.00 177.57 178.05 1qik h PHE 523 N 0.15 1.07 0.00 1.57 3.57 -1.00 -0.92 116.94 121.37 1qik h PHE 523 Ca -0.02 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.14 1qik h PHE 523 Cb 1.28 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 1qik h PHE 523 CO 0.02 1.10 -0.60 -1.49 -2.23 0.00 0.00 178.31 175.12 1qik h TRP 524 N 0.75 0.00 0.00 0.41 4.06 -1.00 -1.44 115.95 118.74 1qik h TRP 524 Ca 0.08 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.70 1qik h TRP 524 Cb 0.91 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 29.00 1qik h TRP 524 CO 0.06 0.16 -2.24 0.09 -3.56 0.00 0.00 178.44 172.95 1qik n ASN 525 N -2.96 1.33 -0.04 -3.49 3.02 -0.38 -4.52 115.26 108.22 1qik n ASN 525 Ca 0.01 -0.05 -0.05 0.00 -0.03 0.00 0.00 54.58 54.45 1qik n ASN 525 Cb 0.61 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 40.15 1qik n ASN 525 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qik n GLN 526 N -2.87 0.30 0.29 3.52 6.02 -0.38 -4.65 117.38 119.61 1qik n GLN 526 Ca -0.34 0.12 -0.11 0.00 -0.01 0.00 0.00 57.00 56.66 1qik n GLN 526 Cb 1.01 -1.01 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1qik n GLN 526 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.06 176.40 1qik h PHE 527 N -0.57 -0.69 -0.22 1.08 3.57 -1.59 -3.06 116.94 115.46 1qik h PHE 527 Ca 0.00 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1qik h PHE 527 Cb 0.57 0.23 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 1qik h PHE 527 CO -0.25 -0.42 -0.18 1.25 -2.23 0.00 0.00 178.31 176.48 1qik h LEU 528 N -0.73 -0.58 -0.46 0.59 5.85 -1.53 0.84 115.31 119.29 1qik h LEU 528 Ca -0.07 0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.85 1qik h LEU 528 Cb 0.56 0.29 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 1qik h LEU 528 CO 0.12 -0.22 -0.30 -0.65 -0.34 0.00 0.00 178.44 177.04 1qik h PRO 529 N -0.18 -0.19 -0.52 5.25 0.11 -1.79 -0.79 132.00 133.88 1qik h PRO 529 Ca 0.13 0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.30 1qik h PRO 529 Cb 0.38 0.04 -0.05 0.00 0.11 0.00 0.00 31.00 31.49 1qik h PRO 529 CO -0.33 -0.13 0.26 -0.22 -0.21 0.00 0.00 178.00 177.37 1qik h LYS 530 N -0.20 0.50 0.04 1.05 3.64 -1.31 -2.22 116.57 118.06 1qik h LYS 530 Ca 0.20 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1qik h LYS 530 Cb 0.53 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1qik h LYS 530 CO -0.57 0.33 -0.20 1.25 -2.27 0.00 0.00 179.45 177.98 1qik h LEU 531 N 0.51 -0.58 -2.18 5.20 6.46 0.36 -1.01 115.31 124.07 1qik h LEU 531 Ca 0.23 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 58.07 1qik h LEU 531 Cb 0.14 0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 40.31 1qik h LEU 531 CO -0.16 -0.27 0.02 -0.07 -0.62 0.00 0.00 178.44 177.33 1qik h LEU 532 N -0.35 0.00 -0.03 2.25 3.38 -1.01 -0.74 115.31 118.82 1qik h LEU 532 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1qik h LEU 532 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qik h LEU 532 CO -0.16 0.00 -0.15 -1.13 0.09 0.00 0.00 178.44 177.09 1qik h ASN 533 N 0.00 0.18 0.38 -0.43 -0.00 -0.66 -3.24 115.58 111.81 1qik h ASN 533 Ca 0.01 -0.66 -0.07 0.00 -0.00 0.00 0.00 56.30 55.57 1qik h ASN 533 Cb 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 38.32 38.30 1qik h ASN 533 CO -0.00 0.81 -0.35 0.00 -0.00 0.00 0.00 177.43 177.89 1qik h ALA 534 N 0.37 1.38 -0.02 1.57 0.00 -0.86 -3.51 119.26 118.20 1qik h ALA 534 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1qik h ALA 534 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1qik h ALA 534 CO 0.03 0.44 0.00 0.25 0.00 0.00 0.00 179.25 179.97