#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qik s SER 3 N 0.00 1.38 0.29 6.41 0.01 0.15 -4.95 113.70 116.99 2qik s SER 3 Ca 0.00 -0.21 -0.29 0.00 1.31 0.00 0.00 55.95 56.75 2qik s SER 3 Cb 0.00 -0.23 -0.10 0.00 0.21 0.00 0.00 66.02 65.90 2qik s SER 3 CO 0.00 0.12 1.28 -0.76 0.41 0.00 0.00 173.24 174.30 2qik s LEU 4 N -0.11 4.44 -0.07 2.44 1.43 -1.26 -0.90 118.68 124.65 2qik s LEU 4 Ca 0.02 2.57 -0.01 0.00 -1.03 0.00 0.00 54.13 55.68 2qik s LEU 4 Cb -0.06 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.55 2qik s LEU 4 CO -0.00 -0.48 -0.03 -0.22 0.23 0.00 0.00 176.35 175.85 2qik s LEU 5 N -1.31 0.90 -0.24 1.79 2.96 0.10 -0.92 118.68 121.96 2qik s LEU 5 Ca 0.50 -0.14 -0.12 0.00 -0.22 0.00 0.00 54.13 54.15 2qik s LEU 5 Cb -0.38 -0.53 -0.05 0.00 0.50 0.00 0.00 46.19 45.74 2qik s LEU 5 CO 0.47 -0.14 0.24 0.12 -1.32 0.00 0.00 176.35 175.73 2qik s PHE 6 N 1.64 3.31 -0.01 5.38 2.19 0.37 -0.68 117.98 130.17 2qik s PHE 6 Ca 0.01 0.32 0.07 0.00 0.33 0.00 0.00 56.93 57.66 2qik s PHE 6 Cb -0.13 -2.38 -0.02 0.00 -1.31 0.00 0.00 43.02 39.18 2qik s PHE 6 CO -0.04 -0.02 -0.23 0.08 1.83 0.00 0.00 175.22 176.84 2qik s VAL 7 N 1.33 2.37 0.00 3.12 1.01 0.03 -4.51 120.40 123.75 2qik s VAL 7 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2qik s VAL 7 Cb -0.14 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2qik s VAL 7 CO 0.07 0.52 0.04 0.00 0.00 0.00 0.00 175.10 175.73 2qik n TYR 8 N 2.21 0.00 0.00 5.22 0.18 -1.26 -1.17 117.16 122.34 2qik n TYR 8 Ca -0.16 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.62 2qik n TYR 8 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2qik n TYR 8 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2qik n GLY 9 N 0.29 3.18 0.03 -7.48 0.00 -1.26 -4.31 105.19 95.64 2qik n GLY 9 Ca 0.00 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.78 2qik n GLY 9 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qik n THR 10 N 0.00 1.27 0.93 2.61 -2.24 -1.26 -1.73 114.28 113.87 2qik n THR 10 Ca 0.00 0.36 0.12 0.00 -2.27 0.00 0.00 64.05 62.26 2qik n THR 10 Cb 0.00 -1.24 0.23 0.00 -2.10 0.00 0.00 70.33 67.22 2qik n THR 10 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qik n LEU 11 N -1.67 0.53 -4.70 3.22 4.77 -1.26 -0.91 117.00 116.97 2qik n LEU 11 Ca 0.02 0.02 -0.31 0.00 -0.03 0.00 0.00 56.01 55.71 2qik n LEU 11 Cb 0.12 -0.23 0.14 0.00 -2.33 0.00 0.00 43.42 41.12 2qik n LEU 11 CO 0.10 0.10 0.68 -0.13 -1.33 0.00 0.00 177.39 176.82 2qik s ARG 12 N -3.03 1.39 0.36 3.23 0.52 -0.70 -4.45 118.95 116.27 2qik s ARG 12 Ca 0.10 1.39 -0.27 0.00 -0.52 0.00 0.00 55.73 56.43 2qik s ARG 12 Cb 0.17 -1.78 -0.12 0.00 0.52 0.00 0.00 34.95 33.74 2qik s ARG 12 CO 0.71 -2.32 1.27 1.17 0.02 0.00 0.00 175.30 176.14 2qik n LYS 13 N -4.01 2.03 -1.67 3.54 4.81 -1.26 -1.58 118.16 120.03 2qik n LYS 13 Ca 0.11 0.72 -0.16 0.00 -0.87 0.00 0.00 58.31 58.10 2qik n LYS 13 Cb 0.52 -2.31 -0.06 0.00 0.02 0.00 0.00 35.03 33.21 2qik n LYS 13 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2qik n HIS 14 N 0.19 -0.18 -4.14 5.64 8.25 -1.26 -5.01 115.22 118.71 2qik n HIS 14 Ca 0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.28 2qik n HIS 14 Cb 0.37 -2.95 -0.07 0.00 1.12 0.00 0.00 29.99 28.46 2qik n HIS 14 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2qik s GLU 15 N -3.72 2.31 0.55 -0.41 0.41 -0.61 -5.03 118.70 112.20 2qik s GLU 15 Ca 0.00 -1.60 0.24 0.00 -0.41 0.00 0.00 54.97 53.20 2qik s GLU 15 Cb 0.00 -2.12 1.53 0.00 -1.78 0.00 0.00 34.13 31.76 2qik s GLU 15 CO 0.00 0.10 2.17 1.57 -0.49 0.00 0.00 175.26 178.61 2qik h LYS 16 N 1.58 0.00 -0.50 1.61 2.10 -1.86 -1.76 116.57 117.74 2qik h LYS 16 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 2qik h LYS 16 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2qik h LYS 16 CO 0.64 0.04 0.00 0.09 -2.00 0.00 0.00 179.45 178.22 2qik n ASN 17 N -4.06 3.49 0.25 7.07 3.02 -0.09 -4.61 115.26 120.34 2qik n ASN 17 Ca -0.03 -1.97 0.08 0.00 -0.03 0.00 0.00 54.58 52.63 2qik n ASN 17 Cb 0.12 -0.33 0.62 0.00 -0.61 0.00 0.00 39.78 39.59 2qik n ASN 17 CO 0.00 0.00 0.00 -0.74 -2.62 0.00 0.00 177.26 173.90 2qik h HIS 18 N 3.85 0.00 -0.05 3.10 2.76 -1.12 -1.59 115.15 122.10 2qik h HIS 18 Ca 0.00 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2qik h HIS 18 Cb 0.92 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 2qik h HIS 18 CO 0.33 0.07 0.08 1.12 -1.30 0.00 0.00 177.93 178.23 2qik h HIS 19 N 0.00 0.00 -0.05 5.26 2.07 -1.81 -0.88 115.15 119.74 2qik h HIS 19 Ca -0.00 0.00 0.01 0.00 -2.85 0.00 0.00 60.37 57.53 2qik h HIS 19 Cb 0.13 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.11 2qik h HIS 19 CO 0.00 0.00 0.05 -0.07 -3.07 0.00 0.00 177.93 174.84 2qik h LEU 20 N 0.00 0.00 -0.24 6.12 3.38 -1.65 -0.30 115.31 122.62 2qik h LEU 20 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2qik h LEU 20 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2qik h LEU 20 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2qik n LEU 21 N -3.95 0.68 0.00 1.67 4.77 -0.34 -4.90 117.00 114.92 2qik n LEU 21 Ca -0.02 0.60 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2qik n LEU 21 Cb 0.14 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 2qik n LEU 21 CO 0.29 -0.30 0.00 0.00 -1.33 0.00 0.00 177.39 176.04 2qik n ALA 22 N -1.75 0.00 -0.57 -1.18 0.00 -0.12 -1.40 120.51 115.49 2qik n ALA 22 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.49 2qik n ALA 22 Cb 0.35 0.00 0.29 0.00 0.00 0.00 0.00 19.45 20.09 2qik n ALA 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qik n GLN 23 N 14.00 3.74 -1.60 0.00 1.13 -1.26 -4.96 117.38 128.43 2qik n GLN 23 Ca 0.00 -2.51 -0.49 0.00 -1.94 0.00 0.00 57.00 52.06 2qik n GLN 23 Cb 0.00 -2.09 -0.05 0.00 0.11 0.00 0.00 30.24 28.22 2qik n GLN 23 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2qik n SER 24 N 0.25 1.79 -4.75 1.08 7.64 -0.49 -4.90 113.62 114.25 2qik n SER 24 Ca 0.27 1.13 -0.41 0.00 1.01 0.00 0.00 58.87 60.87 2qik n SER 24 Cb 1.10 -1.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.02 2qik n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qik s ALA 25 N 0.21 3.52 -0.38 -0.43 0.00 -1.24 -4.80 121.76 118.65 2qik s ALA 25 Ca 0.78 1.16 -0.25 0.00 0.00 0.00 0.00 51.96 53.65 2qik s ALA 25 Cb -0.85 -3.48 0.01 0.00 0.00 0.00 0.00 23.12 18.80 2qik s ALA 25 CO 0.48 -0.56 0.88 0.00 0.00 0.00 0.00 175.76 176.57 2qik h ILE 27 N 5.83 1.02 -3.26 0.00 1.08 -0.97 -3.46 117.51 117.74 2qik h ILE 27 Ca -0.24 -2.58 -0.30 0.00 -0.39 0.00 0.00 64.86 61.35 2qik h ILE 27 Cb 1.08 2.81 -0.35 0.00 -3.07 0.00 0.00 36.82 37.29 2qik h ILE 27 CO 0.97 0.85 -0.67 0.20 -0.69 0.00 0.00 178.15 178.80 2qik s ASN 28 N -7.32 0.51 0.33 1.72 0.01 -0.88 -4.98 114.94 104.33 2qik s ASN 28 Ca -0.14 0.21 0.18 0.00 -0.71 0.00 0.00 52.86 52.39 2qik s ASN 28 Cb 0.05 0.09 0.25 0.00 0.41 0.00 0.00 41.25 42.06 2qik s ASN 28 CO 0.87 -0.20 1.53 -0.33 -1.51 0.00 0.00 177.10 177.46 2qik h GLU 29 N 7.91 0.00 -4.96 -0.60 5.08 -1.88 0.51 114.58 120.64 2qik h GLU 29 Ca -0.26 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.43 2qik h GLU 29 Cb 1.12 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 30.02 2qik h GLU 29 CO 0.28 0.39 -0.82 -0.65 -1.00 0.00 0.00 179.01 177.21 2qik s GLN 30 N -3.12 2.67 0.11 2.33 -1.52 -1.26 -4.57 119.66 114.29 2qik s GLN 30 Ca 0.04 -1.06 -0.25 0.00 -1.95 0.00 0.00 55.36 52.14 2qik s GLN 30 Cb 0.08 -2.77 0.07 0.00 -0.22 0.00 0.00 33.01 30.16 2qik s GLN 30 CO 0.72 -0.39 0.61 0.00 -0.25 0.00 0.00 175.29 175.98 2qik s ALA 31 N 1.22 -1.62 0.14 6.09 0.00 -1.00 -4.28 121.76 122.31 2qik s ALA 31 Ca -0.01 0.67 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 2qik s ALA 31 Cb -0.16 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.67 2qik s ALA 31 CO -0.08 -0.67 0.46 -0.98 0.00 0.00 0.00 175.76 174.48 2qik s ARG 32 N -3.14 1.16 -0.01 0.00 1.70 -0.63 -1.13 118.95 116.90 2qik s ARG 32 Ca -0.02 -0.70 -0.05 0.00 -0.47 0.00 0.00 55.73 54.49 2qik s ARG 32 Cb -0.01 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 2qik s ARG 32 CO -0.08 -0.47 0.11 -0.08 -1.08 0.00 0.00 175.30 173.70 2qik s THR 33 N -3.81 0.06 0.10 4.99 -1.32 -0.26 -0.46 115.64 114.95 2qik s THR 33 Ca 0.04 -0.52 -0.31 0.00 -1.21 0.00 0.00 61.69 59.69 2qik s THR 33 Cb 0.01 -0.34 -0.08 0.00 -1.51 0.00 0.00 72.50 70.58 2qik s THR 33 CO -0.10 -0.28 1.43 -0.75 -2.21 0.00 0.00 174.62 172.70 2qik s LYS 34 N -0.97 4.30 0.00 7.08 2.20 -1.26 -0.70 119.74 130.39 2qik s LYS 34 Ca -0.11 2.10 0.00 0.00 -0.36 0.00 0.00 55.97 57.61 2qik s LYS 34 Cb -0.06 -3.31 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2qik s LYS 34 CO 0.01 -0.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.91 2qik n GLY 35 N 3.58 -1.98 3.32 5.54 0.00 -0.57 -4.84 105.19 110.24 2qik n GLY 35 Ca 0.12 -1.38 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 2qik n GLY 35 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qik s SER 36 N -1.36 2.94 -0.12 1.61 0.01 -0.63 -3.39 113.70 112.77 2qik s SER 36 Ca 0.00 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.60 2qik s SER 36 Cb 0.00 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2qik s SER 36 CO 0.00 0.18 -0.04 -0.22 0.41 0.00 0.00 173.24 173.57 2qik s LEU 37 N -1.56 3.30 0.06 2.44 2.96 -1.26 -1.30 118.68 123.32 2qik s LEU 37 Ca 0.10 -0.05 0.06 0.00 -0.22 0.00 0.00 54.13 54.03 2qik s LEU 37 Cb -0.10 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2qik s LEU 37 CO 0.03 0.26 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.80 2qik s PHE 38 N -0.18 1.45 -0.25 5.38 0.40 0.03 -0.64 117.98 124.17 2qik s PHE 38 Ca 0.03 -0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 55.78 2qik s PHE 38 Cb -0.13 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.54 2qik s PHE 38 CO 0.02 0.09 0.56 0.00 0.70 0.00 0.00 175.22 176.59 2qik s ALA 39 N -1.00 3.60 0.06 5.36 0.00 0.48 -0.99 121.76 129.26 2qik s ALA 39 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.46 2qik s ALA 39 Cb -0.09 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 2qik s ALA 39 CO 0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 175.76 175.02 2qik n ALA 40 N 5.56 2.83 -0.10 0.00 0.00 -1.26 -1.22 120.51 126.33 2qik n ALA 40 Ca -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2qik n ALA 40 Cb 0.49 0.16 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2qik n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qik n GLY 44 N 3.36 -0.19 3.76 0.00 0.00 -1.26 -5.00 105.19 105.86 2qik n GLY 44 Ca -0.01 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2qik n GLY 44 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qik s PRO 45 N -0.24 3.47 0.21 1.61 0.04 -1.26 -5.03 135.00 133.81 2qik s PRO 45 Ca 0.01 1.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.97 2qik s PRO 45 Cb 0.00 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 2qik s PRO 45 CO 0.02 -0.85 0.30 -0.08 0.04 0.00 0.00 177.00 176.44 2qik s THR 46 N -1.44 0.01 0.13 1.26 -1.32 -0.16 -4.97 115.64 109.16 2qik s THR 46 Ca 0.67 -1.66 0.10 0.00 -1.21 0.00 0.00 61.69 59.59 2qik s THR 46 Cb -0.34 -2.28 -0.04 0.00 -1.51 0.00 0.00 72.50 68.33 2qik s THR 46 CO 0.41 -0.05 -0.22 0.68 -2.21 0.00 0.00 174.62 173.23 2qik s VAL 47 N -4.07 2.59 -0.01 5.08 -7.23 -1.26 -0.79 120.40 114.70 2qik s VAL 47 Ca 0.29 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 2qik s VAL 47 Cb 0.03 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.79 2qik s VAL 47 CO 0.09 0.07 -0.06 -0.69 -0.31 0.00 0.00 175.10 174.20 2qik s VAL 48 N -1.19 0.49 -0.12 1.32 1.01 -0.42 -4.89 120.40 116.60 2qik s VAL 48 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2qik s VAL 48 Cb -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2qik s VAL 48 CO 0.09 0.16 -0.14 -0.36 0.00 0.00 0.00 175.10 174.85 2qik s PHE 49 N 0.12 2.78 0.17 5.22 0.08 -1.26 -1.60 117.98 123.50 2qik s PHE 49 Ca -0.01 -0.63 -0.09 0.00 0.12 0.00 0.00 56.93 56.32 2qik s PHE 49 Cb -0.06 -1.82 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 2qik s PHE 49 CO -0.00 -0.19 0.28 0.54 -0.10 0.00 0.00 175.22 175.75 2qik s ASN 50 N 0.26 0.04 0.00 1.36 4.22 -1.26 -5.04 114.94 114.52 2qik s ASN 50 Ca -0.10 -0.90 0.28 0.00 -2.14 0.00 0.00 52.86 50.00 2qik s ASN 50 Cb -0.16 0.44 1.66 0.00 1.28 0.00 0.00 41.25 44.47 2qik s ASN 50 CO 0.06 -0.90 2.02 -0.90 -2.04 0.00 0.00 177.10 175.33 2qik n ASP 51 N -0.22 0.00 -1.07 3.54 5.68 -1.26 -2.10 116.55 121.12 2qik n ASP 51 Ca -0.07 -0.82 0.09 0.00 -0.50 0.00 0.00 54.79 53.50 2qik n ASP 51 Cb 0.63 -0.02 0.25 0.00 -1.14 0.00 0.00 41.12 40.83 2qik n ASP 51 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2qik n GLU 52 N -1.02 2.72 -2.16 0.11 1.02 -1.26 -4.98 120.64 115.06 2qik n GLU 52 Ca 0.21 -2.39 -0.42 0.00 -0.02 0.00 0.00 57.16 54.53 2qik n GLU 52 Cb 0.11 -1.45 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2qik n GLU 52 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2qik s ASP 53 N -1.03 6.81 -0.07 1.62 -0.00 -0.89 -4.85 116.67 118.25 2qik s ASP 53 Ca 0.38 2.30 0.11 0.00 -0.00 0.00 0.00 52.55 55.34 2qik s ASP 53 Cb 0.20 -2.58 0.16 0.00 -0.00 0.00 0.00 42.92 40.71 2qik s ASP 53 CO 0.27 -0.68 1.06 -0.62 -0.00 0.00 0.00 175.17 175.19 2qik n GLU 54 N 4.36 1.56 -2.70 8.23 -0.58 -1.26 -4.89 120.64 125.36 2qik n GLU 54 Ca 0.12 -2.00 -0.07 0.00 -0.42 0.00 0.00 57.16 54.79 2qik n GLU 54 Cb 0.42 -1.20 -0.02 0.00 -0.57 0.00 0.00 31.44 30.07 2qik n GLU 54 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qik n GLY 55 N -0.95 3.74 3.22 0.62 0.00 -1.26 -5.08 105.19 105.49 2qik n GLY 55 Ca 0.09 -1.82 -0.18 0.00 0.00 0.00 0.00 46.02 44.11 2qik n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qik s TYR 56 N -2.27 1.35 -0.20 1.61 1.51 -1.22 -1.51 117.35 116.63 2qik s TYR 56 Ca 0.10 -0.53 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 2qik s TYR 56 Cb 0.00 -0.72 -0.05 0.00 -0.11 0.00 0.00 41.96 41.08 2qik s TYR 56 CO 0.07 0.12 0.12 0.42 -1.11 0.00 0.00 175.55 175.17 2qik s ILE 57 N -1.92 5.25 0.03 2.71 1.01 0.12 -4.08 121.20 124.33 2qik s ILE 57 Ca 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 60.80 2qik s ILE 57 Cb -0.06 -3.40 -0.05 0.00 0.01 0.00 0.00 42.46 38.96 2qik s ILE 57 CO 0.03 0.43 0.26 -0.31 0.00 0.00 0.00 174.94 175.35 2qik s TYR 58 N 0.49 3.55 0.00 3.97 1.51 0.23 -1.10 117.35 126.00 2qik s TYR 58 Ca 0.07 0.48 0.00 0.00 -1.01 0.00 0.00 57.07 56.61 2qik s TYR 58 Cb -0.12 -1.93 0.00 0.00 -0.11 0.00 0.00 41.96 39.80 2qik s TYR 58 CO -0.00 0.59 0.00 0.41 -1.11 0.00 0.00 175.55 175.43 2qik n GLY 59 N 0.79 1.66 3.05 0.71 0.00 -0.28 -4.63 105.19 106.49 2qik n GLY 59 Ca -0.09 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 2qik n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qik s GLU 60 N 1.38 0.51 -0.15 1.61 2.02 -0.32 -2.38 118.70 121.37 2qik s GLU 60 Ca 0.00 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.26 2qik s GLU 60 Cb 0.00 -0.28 -0.02 0.00 0.10 0.00 0.00 34.13 33.93 2qik s GLU 60 CO 0.00 0.05 -0.07 0.08 0.02 0.00 0.00 175.26 175.34 2qik s VAL 61 N -1.29 3.52 0.23 2.63 1.01 0.17 -0.79 120.40 125.87 2qik s VAL 61 Ca -0.09 -0.49 0.11 0.00 0.00 0.00 0.00 61.98 61.51 2qik s VAL 61 Cb -0.09 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 2qik s VAL 61 CO 0.00 0.50 -0.21 -0.31 0.00 0.00 0.00 175.10 175.08 2qik s TYR 62 N 0.48 2.21 -0.42 5.22 1.51 0.14 -0.28 117.35 126.21 2qik s TYR 62 Ca -0.06 -0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 55.48 2qik s TYR 62 Cb -0.15 -1.03 0.03 0.00 -0.11 0.00 0.00 41.96 40.70 2qik s TYR 62 CO 0.03 0.57 0.33 -2.00 -1.11 0.00 0.00 175.55 173.36 2qik s GLU 63 N -3.09 2.98 -0.19 -0.62 2.56 -0.06 -0.72 118.70 119.56 2qik s GLU 63 Ca 0.24 -1.06 -0.07 0.00 0.00 0.00 0.00 54.97 54.08 2qik s GLU 63 Cb -0.06 -4.01 -0.04 0.00 2.00 0.00 0.00 34.13 32.02 2qik s GLU 63 CO 0.11 -0.81 0.06 0.00 -0.56 0.00 0.00 175.26 174.07 2qik s ALA 64 N 1.70 3.35 0.96 6.30 0.00 -0.08 -3.65 121.76 130.35 2qik s ALA 64 Ca 0.05 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.05 2qik s ALA 64 Cb -0.20 -1.94 0.18 0.00 0.00 0.00 0.00 23.12 21.16 2qik s ALA 64 CO 0.10 0.06 1.22 0.16 0.00 0.00 0.00 175.76 177.30 2qik s ASP 65 N 0.59 3.10 0.23 0.00 3.84 -1.26 -0.68 116.67 122.50 2qik s ASP 65 Ca 0.03 0.57 -0.08 0.00 -0.00 0.00 0.00 52.55 53.07 2qik s ASP 65 Cb -0.13 -0.84 0.21 0.00 -1.38 0.00 0.00 42.92 40.78 2qik s ASP 65 CO 0.01 -2.77 1.89 -0.33 -0.00 0.00 0.00 175.17 173.98 2qik h GLU 66 N -1.66 1.21 -0.33 2.11 5.08 -1.98 -1.84 114.58 117.17 2qik h GLU 66 Ca -0.46 -0.09 0.05 0.00 -1.00 0.00 0.00 59.36 57.85 2qik h GLU 66 Cb 1.28 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 30.23 2qik h GLU 66 CO 0.48 0.83 0.08 1.25 -1.00 0.00 0.00 179.01 180.64 2qik h LEU 67 N 1.23 0.04 -0.31 1.33 6.46 -1.99 -0.26 115.31 121.81 2qik h LEU 67 Ca 0.33 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.14 2qik h LEU 67 Cb -0.09 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.88 2qik h LEU 67 CO -0.07 0.06 0.19 0.00 -0.62 0.00 0.00 178.44 178.00 2qik h ILE 69 N 0.38 1.26 -0.63 0.00 1.08 -1.05 -0.11 117.51 118.45 2qik h ILE 69 Ca 0.12 -0.75 0.03 0.00 -0.39 0.00 0.00 64.86 63.87 2qik h ILE 69 Cb -0.02 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.88 2qik h ILE 69 CO -0.05 0.32 0.38 0.45 -0.69 0.00 0.00 178.15 178.56 2qik h HIS 70 N 1.21 0.70 -0.39 1.37 3.86 -0.70 0.18 115.15 121.39 2qik h HIS 70 Ca 0.29 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.55 2qik h HIS 70 Cb 0.14 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2qik h HIS 70 CO 0.02 0.39 0.20 0.87 0.86 0.00 0.00 177.93 180.26 2qik h LYS 71 N 0.73 0.39 -0.37 2.45 1.57 -0.32 -1.15 116.57 119.87 2qik h LYS 71 Ca 0.26 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 2qik h LYS 71 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 2qik h LYS 71 CO -0.12 0.26 0.11 -0.07 -0.57 0.00 0.00 179.45 179.06 2qik h LEU 72 N 0.40 0.55 -0.82 2.94 3.38 -0.77 -0.86 115.31 120.13 2qik h LEU 72 Ca 0.16 -0.21 0.14 0.00 0.09 0.00 0.00 57.88 58.06 2qik h LEU 72 Cb 0.07 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 2qik h LEU 72 CO -0.11 0.61 0.40 0.44 0.09 0.00 0.00 178.44 179.87 2qik h ASP 73 N 0.45 0.47 0.13 -0.43 3.32 -0.67 -1.13 116.42 118.56 2qik h ASP 73 Ca 0.12 0.09 -0.21 0.00 0.02 0.00 0.00 57.03 57.06 2qik h ASP 73 Cb 0.27 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2qik h ASP 73 CO -0.00 0.20 -0.79 1.56 -1.72 0.00 0.00 179.24 178.49 2qik h GLN 74 N 0.58 0.54 -0.17 3.56 4.20 -1.04 -3.31 115.11 119.46 2qik h GLN 74 Ca 0.44 -0.46 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2qik h GLN 74 Cb 0.63 0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2qik h GLN 74 CO -0.36 1.09 -0.10 0.35 -0.67 0.00 0.00 178.83 179.14 2qik h PHE 75 N 0.36 0.43 -0.96 2.96 3.57 -0.79 -3.36 116.94 119.14 2qik h PHE 75 Ca -0.05 -0.11 -0.73 0.00 3.53 0.00 0.00 57.97 60.61 2qik h PHE 75 Cb 1.39 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 39.93 2qik h PHE 75 CO 0.06 0.69 2.58 1.19 -2.23 0.00 0.00 178.31 180.60 2qik n PHE 76 N -4.59 2.72 -1.78 0.41 3.01 -0.46 -4.99 117.46 111.78 2qik n PHE 76 Ca -0.05 -2.86 -0.41 0.00 1.01 0.00 0.00 57.45 55.13 2qik n PHE 76 Cb 0.32 -2.01 -0.00 0.00 -0.01 0.00 0.00 39.48 37.77 2qik n PHE 76 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 2qik s GLN 77 N 0.07 4.10 0.00 -1.08 -0.21 -1.26 -1.93 119.66 119.35 2qik s GLN 77 Ca 0.52 2.60 0.00 0.00 0.02 0.00 0.00 55.36 58.49 2qik s GLN 77 Cb 0.16 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.19 2qik s GLN 77 CO -0.06 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 172.95 2qik n GLY 78 N 0.75 1.98 3.92 3.09 0.00 -1.26 -5.02 105.19 108.65 2qik n GLY 78 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2qik n GLY 78 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qik s TYR 79 N -3.23 3.50 0.41 1.61 4.12 -0.81 -4.58 117.35 118.37 2qik s TYR 79 Ca 0.00 0.32 0.07 0.00 0.02 0.00 0.00 57.07 57.48 2qik s TYR 79 Cb 0.00 -1.82 -0.06 0.00 -1.52 0.00 0.00 41.96 38.56 2qik s TYR 79 CO 0.00 0.51 0.10 -1.01 0.02 0.00 0.00 175.55 175.17 2qik s HIS 80 N -1.63 2.57 0.09 2.71 3.76 0.03 -4.93 115.29 117.88 2qik s HIS 80 Ca 0.37 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 2qik s HIS 80 Cb -0.12 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 2qik s HIS 80 CO 0.27 0.30 -0.05 -1.59 -0.85 0.00 0.00 174.74 172.83 2qik s LYS 81 N -3.82 0.78 0.36 1.40 -2.85 -1.26 -0.65 119.74 113.71 2qik s LYS 81 Ca 0.38 -1.31 -0.05 0.00 -1.00 0.00 0.00 55.97 53.99 2qik s LYS 81 Cb 0.06 -0.08 0.02 0.00 -2.06 0.00 0.00 37.83 35.77 2qik s LYS 81 CO 0.21 -0.05 0.56 0.00 0.10 0.00 0.00 175.35 176.17 2qik n GLN 82 N -0.01 0.81 -4.06 1.78 10.64 -0.73 -4.99 117.38 120.83 2qik n GLN 82 Ca -0.12 -2.64 -0.25 0.00 -1.83 0.00 0.00 57.00 52.16 2qik n GLN 82 Cb 0.61 2.70 -0.05 0.00 -0.86 0.00 0.00 30.24 32.64 2qik n GLN 82 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 2qik s THR 83 N -2.64 4.66 0.07 -0.39 -4.23 -1.26 -0.60 115.64 111.27 2qik s THR 83 Ca 0.25 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.72 2qik s THR 83 Cb -0.02 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.37 2qik s THR 83 CO 0.18 -0.15 -0.06 0.68 -0.54 0.00 0.00 174.62 174.74 2qik s VAL 84 N -1.81 0.52 -0.17 2.29 -7.23 -0.15 -4.93 120.40 108.91 2qik s VAL 84 Ca 0.32 -1.76 -0.28 0.00 -1.81 0.00 0.00 61.98 58.45 2qik s VAL 84 Cb -0.10 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.38 2qik s VAL 84 CO 0.25 -0.84 0.94 -0.36 -0.31 0.00 0.00 175.10 174.78 2qik s PHE 85 N -3.36 3.42 -0.18 2.82 0.08 -1.26 -1.39 117.98 118.11 2qik s PHE 85 Ca 0.07 1.41 -0.04 0.00 0.12 0.00 0.00 56.93 58.49 2qik s PHE 85 Cb 0.04 -3.14 -0.02 0.00 -0.57 0.00 0.00 43.02 39.32 2qik s PHE 85 CO -0.05 -0.32 -0.04 0.08 -0.10 0.00 0.00 175.22 174.79 2qik s VAL 86 N 2.46 3.75 -0.04 -0.44 1.01 0.11 -4.63 120.40 122.62 2qik s VAL 86 Ca 0.43 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 2qik s VAL 86 Cb -0.17 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.51 2qik s VAL 86 CO 0.12 0.47 0.62 -1.61 0.00 0.00 0.00 175.10 174.70 2qik s GLU 87 N 0.71 4.37 0.32 2.72 2.02 0.39 -0.69 118.70 128.55 2qik s GLU 87 Ca -0.02 0.76 0.03 0.00 0.02 0.00 0.00 54.97 55.76 2qik s GLU 87 Cb -0.14 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 2qik s GLU 87 CO 0.02 0.22 0.11 0.95 0.02 0.00 0.00 175.26 176.59 2qik s THR 88 N 0.31 0.63 -0.59 3.63 -4.23 -0.83 -1.60 115.64 112.96 2qik s THR 88 Ca 0.33 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.04 2qik s THR 88 Cb -0.18 -2.57 0.21 0.00 1.34 0.00 0.00 72.50 71.30 2qik s THR 88 CO 0.17 0.00 1.62 0.47 -0.54 0.00 0.00 174.62 176.34 2qik n ASP 89 N -0.84 0.48 -1.80 3.99 9.92 -1.26 -3.04 116.55 124.01 2qik n ASP 89 Ca -0.01 0.63 -0.11 0.00 -0.53 0.00 0.00 54.79 54.76 2qik n ASP 89 Cb 0.66 -0.73 0.07 0.00 -0.64 0.00 0.00 41.12 40.47 2qik n ASP 89 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 2qik n VAL 90 N -2.05 2.08 0.00 2.53 0.24 -1.26 -4.89 118.33 114.98 2qik n VAL 90 Ca 0.02 -3.56 0.00 0.00 -2.04 0.00 0.00 64.34 58.76 2qik n VAL 90 Cb 0.19 -0.39 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 2qik n VAL 90 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qik n GLY 91 N -0.70 0.88 3.79 7.63 0.00 -1.17 -5.05 105.19 110.57 2qik n GLY 91 Ca 0.30 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 2qik n GLY 91 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qik s ILE 92 N -1.12 5.27 0.11 -0.61 1.01 -1.26 -1.97 121.20 122.63 2qik s ILE 92 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 60.65 61.23 2qik s ILE 92 Cb 0.00 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.82 2qik s ILE 92 CO 0.00 0.48 -0.06 -0.54 0.00 0.00 0.00 174.94 174.83 2qik s LYS 93 N -0.23 0.86 -0.19 2.79 1.02 0.13 -4.94 119.74 119.19 2qik s LYS 93 Ca 0.18 -1.36 -0.09 0.00 0.02 0.00 0.00 55.97 54.73 2qik s LYS 93 Cb -0.14 -0.21 -0.05 0.00 -0.52 0.00 0.00 37.83 36.92 2qik s LYS 93 CO 0.06 -0.03 0.11 0.42 -0.92 0.00 0.00 175.35 174.99 2qik s ILE 94 N -3.63 5.20 0.03 2.17 1.01 -1.26 0.07 121.20 124.80 2qik s ILE 94 Ca 0.13 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.86 2qik s ILE 94 Cb 0.05 -3.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.15 2qik s ILE 94 CO -0.04 0.46 0.05 0.00 0.00 0.00 0.00 174.94 175.41 2qik s ALA 95 N 0.26 0.04 0.59 9.38 0.00 -0.48 -4.63 121.76 126.92 2qik s ALA 95 Ca 0.07 -0.62 -0.17 0.00 0.00 0.00 0.00 51.96 51.24 2qik s ALA 95 Cb -0.11 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.19 2qik s ALA 95 CO -0.01 -0.28 1.09 -0.51 0.00 0.00 0.00 175.76 176.06 2qik s LEU 96 N -2.02 3.56 -0.11 0.00 1.43 -0.10 -0.98 118.68 120.47 2qik s LEU 96 Ca -0.07 1.99 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 2qik s LEU 96 Cb -0.03 -4.56 0.03 0.00 0.03 0.00 0.00 46.19 41.67 2qik s LEU 96 CO -0.04 -1.31 0.30 -0.51 0.23 0.00 0.00 176.35 175.03 2qik s ILE 97 N -2.18 0.00 0.04 -0.59 2.07 0.24 -0.48 121.20 120.29 2qik s ILE 97 Ca 0.68 -0.01 -0.06 0.00 -1.41 0.00 0.00 60.65 59.84 2qik s ILE 97 Cb -0.20 -0.43 -0.05 0.00 0.13 0.00 0.00 42.46 41.91 2qik s ILE 97 CO 0.34 -0.01 0.28 -0.31 -1.91 0.00 0.00 174.94 173.34 2qik s TYR 98 N 0.12 3.56 0.00 3.50 2.02 -1.26 -1.77 117.35 123.52 2qik s TYR 98 Ca -0.00 0.55 0.00 0.00 -0.37 0.00 0.00 57.07 57.25 2qik s TYR 98 Cb -0.02 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2qik s TYR 98 CO 0.01 0.58 0.00 1.97 -1.57 0.00 0.00 175.55 176.54 2qik n PHE 99 N 0.89 0.00 -3.97 2.71 1.16 0.18 -4.73 117.46 113.70 2qik n PHE 99 Ca -0.09 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.18 2qik n PHE 99 Cb 0.52 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.25 2qik n PHE 99 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 2qik s ASN 101 N 1.47 4.49 0.00 5.98 3.84 -1.26 -0.79 114.94 128.67 2qik s ASN 101 Ca 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 52.86 50.49 2qik s ASN 101 Cb 0.00 -1.59 0.00 0.00 -0.55 0.00 0.00 41.25 39.11 2qik s ASN 101 CO 0.00 -0.30 0.00 2.22 -2.79 0.00 0.00 177.10 176.23 2qik n PHE 108 N 3.69 0.00 -4.77 0.43 -0.00 -1.26 -5.12 117.46 110.43 2qik n PHE 108 Ca 0.04 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.23 2qik n PHE 108 Cb 0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 39.48 39.69 2qik n PHE 108 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 2qik s THR 109 N -1.43 1.37 0.36 1.97 -4.23 -0.36 -4.95 115.64 108.37 2qik s THR 109 Ca 0.00 -0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 59.60 2qik s THR 109 Cb 0.00 -1.21 -0.09 0.00 1.34 0.00 0.00 72.50 72.54 2qik s THR 109 CO 0.00 0.40 1.18 -0.75 -0.54 0.00 0.00 174.62 174.92 2qik s LYS 110 N 0.36 4.27 -0.46 3.99 2.20 -1.26 -0.39 119.74 128.45 2qik s LYS 110 Ca -0.11 1.91 -0.15 0.00 -0.36 0.00 0.00 55.97 57.27 2qik s LYS 110 Cb -0.14 -2.89 0.07 0.00 -1.51 0.00 0.00 37.83 33.36 2qik s LYS 110 CO 0.04 -0.16 0.36 0.42 -0.36 0.00 0.00 175.35 175.65 2qik s ILE 111 N -1.29 5.11 0.34 5.43 1.01 0.19 -4.86 121.20 127.13 2qik s ILE 111 Ca 0.52 -1.04 0.08 0.00 0.00 0.00 0.00 60.65 60.21 2qik s ILE 111 Cb -0.33 -4.03 0.32 0.00 0.01 0.00 0.00 42.46 38.43 2qik s ILE 111 CO 0.42 -0.53 1.85 0.77 0.00 0.00 0.00 174.94 177.45 2qik h SER 112 N 8.69 0.69 1.03 3.58 4.64 -1.94 -1.59 113.55 128.64 2qik h SER 112 Ca -0.28 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2qik h SER 112 Cb 1.11 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2qik h SER 112 CO 0.84 0.33 0.00 0.77 -0.87 0.00 0.00 176.83 177.90 2qik h SER 113 N 0.72 0.00 -0.09 4.97 4.64 -1.93 -3.47 113.55 118.39 2qik h SER 113 Ca 0.48 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.76 2qik h SER 113 Cb 0.76 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 2qik h SER 113 CO -0.24 0.00 -0.03 0.61 -0.87 0.00 0.00 176.83 176.30 2qik n GLY 114 N 0.28 0.39 2.82 -0.77 0.00 -0.60 -4.79 105.19 102.53 2qik n GLY 114 Ca 0.02 -0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 2qik n GLY 114 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qik s ASP 115 N -2.14 3.08 0.21 1.61 3.68 -1.26 -0.60 116.67 121.25 2qik s ASP 115 Ca 0.00 -0.85 -0.09 0.00 2.13 0.00 0.00 52.55 53.74 2qik s ASP 115 Cb 0.00 -0.80 0.14 0.00 -1.45 0.00 0.00 42.92 40.81 2qik s ASP 115 CO 0.00 -0.26 1.77 -0.25 0.13 0.00 0.00 175.17 176.57 2qik h TRP 116 N 8.15 1.15 -0.54 -5.34 -0.00 -1.84 -0.36 115.95 117.17 2qik h TRP 116 Ca -0.18 -0.08 -0.09 0.00 -0.00 0.00 0.00 58.89 58.53 2qik h TRP 116 Cb 1.11 -0.35 -0.02 0.00 -0.00 0.00 0.00 29.16 29.90 2qik h TRP 116 CO 0.38 0.87 -0.03 0.87 -0.00 0.00 0.00 178.44 180.53 2qik h LYS 117 N 1.10 0.95 -0.67 2.65 1.57 -1.95 -0.17 116.57 120.05 2qik h LYS 117 Ca 0.26 -0.30 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 2qik h LYS 117 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 2qik h LYS 117 CO -0.02 0.96 0.20 1.49 -0.57 0.00 0.00 179.45 181.51 2qik h GLU 118 N 0.87 1.03 -0.46 3.15 4.22 -1.87 -2.78 114.58 118.74 2qik h GLU 118 Ca 0.15 -0.22 -0.04 0.00 0.08 0.00 0.00 59.36 59.34 2qik h GLU 118 Cb 0.56 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2qik h GLU 118 CO 0.03 0.89 0.13 1.25 -2.18 0.00 0.00 179.01 179.13 2qik h HIS 119 N 0.99 0.75 0.00 0.92 2.76 -0.70 -1.76 115.15 118.12 2qik h HIS 119 Ca 0.22 -0.08 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 2qik h HIS 119 Cb 0.30 -0.22 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2qik h HIS 119 CO 0.02 0.68 0.00 1.04 -1.30 0.00 0.00 177.93 178.37 2qik n GLN 120 N -4.52 0.09 0.00 5.26 6.02 -0.11 -0.58 117.38 123.54 2qik n GLN 120 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2qik n GLN 120 Cb 0.20 -1.29 0.00 0.00 1.02 0.00 0.00 30.24 30.17 2qik n GLN 120 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2qik n ILE 122 N 0.75 0.00 0.23 5.09 2.08 -0.66 -1.99 119.36 124.85 2qik n ILE 122 Ca 0.00 0.00 0.11 0.00 0.56 0.00 0.00 62.75 63.42 2qik n ILE 122 Cb 0.04 0.00 0.54 0.00 -0.75 0.00 0.00 39.64 39.46 2qik n ILE 122 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2qik h SER 123 N 0.00 0.00 -0.61 4.38 4.64 -1.08 -1.87 113.55 119.00 2qik h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qik h SER 123 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qik h SER 123 CO 0.00 0.20 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 2qik n LYS 124 N -3.45 2.65 -4.09 4.77 4.76 -0.84 -4.98 118.16 116.98 2qik n LYS 124 Ca -0.00 -2.53 -0.47 0.00 -2.87 0.00 0.00 58.31 52.44 2qik n LYS 124 Cb 0.38 -1.54 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 2qik n LYS 124 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qik n SER 125 N 1.57 -4.06 -4.72 4.39 3.41 -0.71 -4.77 113.62 108.73 2qik n SER 125 Ca 0.22 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.10 2qik n SER 125 Cb 0.61 -1.56 -0.03 0.00 -0.26 0.00 0.00 64.21 62.97 2qik n SER 125 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2qik n LYS 126 N -5.05 2.61 -3.66 4.33 4.81 -1.26 -4.91 118.16 115.03 2qik n LYS 126 Ca -0.11 0.94 -0.09 0.00 -0.87 0.00 0.00 58.31 58.18 2qik n LYS 126 Cb 0.56 -2.73 -0.10 0.00 0.02 0.00 0.00 35.03 32.77 2qik n LYS 126 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2qik s ASN 127 N 0.81 -0.26 0.97 3.14 3.04 -1.26 -4.17 114.94 117.20 2qik s ASN 127 Ca 0.71 0.98 -0.15 0.00 0.04 0.00 0.00 52.86 54.44 2qik s ASN 127 Cb -0.53 1.29 0.18 0.00 -1.54 0.00 0.00 41.25 40.65 2qik s ASN 127 CO 0.41 -0.23 1.20 -2.16 -3.04 0.00 0.00 177.10 173.28 2qik s PRO 128 N 2.52 0.66 -0.05 0.43 0.04 -1.26 -5.00 135.00 132.33 2qik s PRO 128 Ca -0.02 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 60.99 2qik s PRO 128 Cb -0.12 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2qik s PRO 128 CO -0.13 -2.46 -0.09 0.42 0.04 0.00 0.00 177.00 174.78 2qik s ILE 129 N -3.49 3.47 -0.38 0.56 1.01 0.33 -4.90 121.20 117.81 2qik s ILE 129 Ca 0.68 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.58 2qik s ILE 129 Cb -0.09 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2qik s ILE 129 CO 0.53 0.57 0.32 -0.31 0.00 0.00 0.00 174.94 176.05 2qik s TYR 130 N -0.81 3.22 -0.24 3.97 2.02 -1.26 -0.87 117.35 123.38 2qik s TYR 130 Ca 0.13 -0.32 -0.06 0.00 -0.37 0.00 0.00 57.07 56.45 2qik s TYR 130 Cb -0.11 -2.63 -0.01 0.00 -0.40 0.00 0.00 41.96 38.81 2qik s TYR 130 CO 0.02 -0.51 0.02 -0.47 -1.57 0.00 0.00 175.55 173.04 2qik s TYR 131 N 1.85 3.04 -0.36 2.71 5.04 -0.13 -0.56 117.35 128.93 2qik s TYR 131 Ca 0.08 -0.73 -0.14 0.00 -2.44 0.00 0.00 57.07 53.84 2qik s TYR 131 Cb -0.18 -2.18 -0.01 0.00 0.35 0.00 0.00 41.96 39.95 2qik s TYR 131 CO 0.11 -0.47 0.27 0.12 -1.34 0.00 0.00 175.55 174.24 2qik s PHE 132 N 1.54 3.23 -0.11 4.97 5.36 0.70 -0.42 117.98 133.25 2qik s PHE 132 Ca 0.06 -0.28 -0.03 0.00 -0.96 0.00 0.00 56.93 55.72 2qik s PHE 132 Cb -0.15 -2.53 -0.03 0.00 -0.34 0.00 0.00 43.02 39.97 2qik s PHE 132 CO 0.00 -0.43 -0.01 0.00 -1.46 0.00 0.00 175.22 173.32 2qik s ALA 133 N 1.76 3.16 0.00 11.12 0.00 0.04 -4.51 121.76 133.34 2qik s ALA 133 Ca 0.07 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.21 2qik s ALA 133 Cb -0.18 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2qik s ALA 133 CO 0.11 0.43 0.26 2.48 0.00 0.00 0.00 175.76 179.04 2qik n TYR 134 N 2.72 0.00 0.00 0.00 4.11 -1.26 -0.46 117.16 122.27 2qik n TYR 134 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 2qik n TYR 134 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.87 2qik n TYR 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2qik n GLY 135 N 0.20 3.92 0.16 -7.48 0.00 -1.26 -4.94 105.19 95.79 2qik n GLY 135 Ca 0.00 -0.45 0.12 0.00 0.00 0.00 0.00 46.02 45.69 2qik n GLY 135 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qik h SER 136 N 0.00 0.00 0.00 1.61 4.64 -1.89 -3.39 113.55 114.53 2qik h SER 136 Ca 0.00 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 60.88 2qik h SER 136 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.11 2qik h SER 136 CO 0.00 0.00 2.79 0.00 -0.87 0.00 0.00 176.83 178.75 2qik n ASP 139 N 4.35 0.00 -0.27 0.00 -0.08 -1.26 -4.92 116.55 114.37 2qik n ASP 139 Ca 0.50 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.84 2qik n ASP 139 Cb 0.17 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.62 2qik n ASP 139 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 2qik n ASN 140 N 0.00 1.35 -0.18 1.67 2.04 -1.26 -4.72 115.26 114.17 2qik n ASN 140 Ca 0.00 -1.18 -0.09 0.00 -0.44 0.00 0.00 54.58 52.87 2qik n ASN 140 Cb 0.00 0.48 0.01 0.00 -2.53 0.00 0.00 39.78 37.74 2qik n ASN 140 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2qik h ALA 141 N 2.14 0.66 -0.57 -2.53 0.00 -1.99 -0.75 119.26 116.23 2qik h ALA 141 Ca 0.00 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2qik h ALA 141 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 2qik h ALA 141 CO 0.00 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.58 2qik h ARG 142 N 0.70 1.05 -0.35 0.00 3.08 -1.93 -1.26 114.38 115.67 2qik h ARG 142 Ca 0.15 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.90 2qik h ARG 142 Cb 0.38 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.29 2qik h ARG 142 CO 0.01 1.06 0.01 0.74 -1.07 0.00 0.00 179.97 180.71 2qik h PHE 143 N 0.94 -0.00 -0.51 3.04 0.05 -1.76 -1.79 116.94 116.90 2qik h PHE 143 Ca 0.16 0.03 -0.00 0.00 3.82 0.00 0.00 57.97 61.97 2qik h PHE 143 Cb 0.62 0.05 -0.02 0.00 2.00 0.00 0.00 35.95 38.60 2qik h PHE 143 CO 0.04 -0.05 0.31 1.96 -0.18 0.00 0.00 178.31 180.39 2qik h GLN 144 N 0.11 0.69 -0.36 1.51 4.20 -0.66 -1.19 115.11 119.40 2qik h GLN 144 Ca 0.17 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2qik h GLN 144 Cb 0.23 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2qik h GLN 144 CO -0.27 0.50 0.23 0.87 -0.67 0.00 0.00 178.83 179.48 2qik h LYS 145 N 0.69 0.48 -0.00 1.46 1.57 -0.88 -2.03 116.57 117.85 2qik h LYS 145 Ca 0.18 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2qik h LYS 145 Cb -0.02 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.18 2qik h LYS 145 CO -0.04 0.33 -0.17 0.00 -0.57 0.00 0.00 179.45 179.01 2qik n ALA 146 N -2.48 2.87 -1.26 3.86 0.00 -0.71 -4.94 120.51 117.85 2qik n ALA 146 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 2qik n ALA 146 Cb 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 19.45 18.22 2qik n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qik n GLY 147 N 1.33 0.76 0.41 0.00 0.00 -0.69 -4.92 105.19 102.08 2qik n GLY 147 Ca 0.13 -0.78 0.05 0.00 0.00 0.00 0.00 46.02 45.41 2qik n GLY 147 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qik n VAL 148 N -2.95 0.30 0.25 1.61 0.24 -0.54 -4.70 118.33 112.55 2qik n VAL 148 Ca -0.06 -0.65 0.12 0.00 -2.04 0.00 0.00 64.34 61.71 2qik n VAL 148 Cb 0.23 0.99 0.76 0.00 -1.47 0.00 0.00 33.84 34.34 2qik n VAL 148 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 2qik h ASP 149 N 1.76 0.00 -0.20 -1.34 3.58 -1.84 -0.66 116.42 117.72 2qik h ASP 149 Ca 0.00 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.51 2qik h ASP 149 Cb 0.47 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2qik h ASP 149 CO 0.00 0.00 0.33 1.12 -2.88 0.00 0.00 179.24 177.81 2qik h HIS 150 N 0.00 0.00 0.00 0.28 2.07 -1.91 0.46 115.15 116.05 2qik h HIS 150 Ca 0.02 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.54 2qik h HIS 150 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 2qik h HIS 150 CO 0.00 0.00 -0.17 1.88 -3.07 0.00 0.00 177.93 176.57 2qik h TYR 151 N 0.00 0.00 -0.19 6.12 0.05 -1.48 -3.36 116.97 118.11 2qik h TYR 151 Ca 0.09 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.78 2qik h TYR 151 Cb 0.74 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.43 2qik h TYR 151 CO 0.00 0.00 -0.25 1.19 -1.05 0.00 0.00 178.16 178.05 2qik n PHE 152 N -2.46 0.59 -0.61 4.88 3.72 0.15 -4.55 117.46 119.19 2qik n PHE 152 Ca 0.04 -1.53 0.07 0.00 -0.05 0.00 0.00 57.45 55.99 2qik n PHE 152 Cb 0.46 -0.38 0.22 0.00 -0.94 0.00 0.00 39.48 38.84 2qik n PHE 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2qik n GLN 153 N -1.12 2.95 -3.12 -1.08 6.02 -1.21 -4.56 117.38 115.27 2qik n GLN 153 Ca 0.26 -2.49 -0.24 0.00 -0.01 0.00 0.00 57.00 54.53 2qik n GLN 153 Cb 0.88 -1.59 -0.05 0.00 1.02 0.00 0.00 30.24 30.50 2qik n GLN 153 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2qik n ASP 154 N 0.02 2.85 -4.74 1.08 2.03 -1.26 -5.08 116.55 111.44 2qik n ASP 154 Ca 0.17 -3.35 -0.41 0.00 0.52 0.00 0.00 54.79 51.72 2qik n ASP 154 Cb 0.68 -0.60 -0.02 0.00 -0.72 0.00 0.00 41.12 40.45 2qik n ASP 154 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2qik s PRO 155 N -2.77 4.29 0.19 -0.67 0.04 -1.26 -1.72 135.00 133.09 2qik s PRO 155 Ca 0.43 2.26 -0.03 0.00 0.04 0.00 0.00 61.00 63.70 2qik s PRO 155 Cb 0.27 -3.13 0.10 0.00 0.04 0.00 0.00 34.50 31.77 2qik s PRO 155 CO -0.10 -0.40 1.49 0.28 0.04 0.00 0.00 177.00 178.31 2qik h VAL 156 N 3.61 1.32 0.00 -0.36 2.07 -0.81 -3.47 116.25 118.62 2qik h VAL 156 Ca -0.45 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.24 2qik h VAL 156 Cb 1.22 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2qik h VAL 156 CO 0.78 0.57 0.00 0.61 0.02 0.00 0.00 177.57 179.55 2qik n GLY 157 N 0.29 0.36 3.71 2.17 0.00 -1.00 -4.88 105.19 105.83 2qik n GLY 157 Ca -0.03 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 2qik n GLY 157 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qik n ARG 158 N 0.00 2.32 -4.07 1.61 0.63 -1.26 -1.33 116.66 114.56 2qik n ARG 158 Ca 0.00 0.82 -0.14 0.00 -0.92 0.00 0.00 57.85 57.62 2qik n ARG 158 Cb 0.00 -2.53 -0.13 0.00 0.45 0.00 0.00 32.46 30.25 2qik n ARG 158 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qik s ALA 159 N -0.18 0.35 -0.11 5.13 0.00 0.19 -4.27 121.76 122.88 2qik s ALA 159 Ca 0.65 -0.32 -0.04 0.00 0.00 0.00 0.00 51.96 52.26 2qik s ALA 159 Cb -0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 2qik s ALA 159 CO 0.51 0.04 0.03 0.08 0.00 0.00 0.00 175.76 176.42 2qik s VAL 160 N -0.46 4.54 -0.21 0.00 1.01 -0.53 -1.20 120.40 123.55 2qik s VAL 160 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2qik s VAL 160 Cb -0.04 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.45 2qik s VAL 160 CO -0.00 0.58 -0.06 -0.22 0.00 0.00 0.00 175.10 175.40 2qik s LEU 161 N -0.64 2.27 0.13 3.92 2.96 -0.35 -2.19 118.68 124.79 2qik s LEU 161 Ca 0.11 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 2qik s LEU 161 Cb -0.12 -1.12 -0.07 0.00 0.50 0.00 0.00 46.19 45.38 2qik s LEU 161 CO 0.02 -0.21 0.53 -0.54 -1.32 0.00 0.00 176.35 174.84 2qik s LYS 162 N 1.45 3.96 0.00 1.98 1.02 -1.26 -1.76 119.74 125.13 2qik s LYS 162 Ca -0.03 0.47 0.00 0.00 0.02 0.00 0.00 55.97 56.42 2qik s LYS 162 Cb -0.17 -2.97 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2qik s LYS 162 CO -0.07 0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.27 2qik n GLY 163 N 0.90 0.41 3.22 -3.33 0.00 0.73 -4.98 105.19 102.14 2qik n GLY 163 Ca -0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.75 2qik n GLY 163 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qik s TYR 164 N -2.00 1.47 -0.05 1.61 1.51 -0.90 -1.33 117.35 117.67 2qik s TYR 164 Ca 0.00 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2qik s TYR 164 Cb 0.00 -0.82 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2qik s TYR 164 CO 0.00 0.13 -0.23 0.99 -1.11 0.00 0.00 175.55 175.32 2qik s THR 165 N -1.25 2.26 -0.15 -0.71 2.01 -0.52 -1.92 115.64 115.37 2qik s THR 165 Ca 0.02 -1.01 -0.29 0.00 0.31 0.00 0.00 61.69 60.72 2qik s THR 165 Cb -0.10 -1.82 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 2qik s THR 165 CO 0.03 0.57 1.21 -0.89 -0.69 0.00 0.00 174.62 174.86 2qik s THR 166 N -0.39 4.34 0.05 -0.82 2.01 -1.26 -0.95 115.64 118.62 2qik s THR 166 Ca 0.03 1.63 -0.00 0.00 0.31 0.00 0.00 61.69 63.66 2qik s THR 166 Cb -0.12 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2qik s THR 166 CO 0.02 -0.11 -0.04 -0.13 -0.69 0.00 0.00 174.62 173.67 2qik s ARG 167 N 3.13 0.59 -0.94 4.92 0.52 -0.23 -4.97 118.95 121.96 2qik s ARG 167 Ca 0.53 -1.12 -0.02 0.00 -0.52 0.00 0.00 55.73 54.60 2qik s ARG 167 Cb -0.21 0.13 0.25 0.00 0.52 0.00 0.00 34.95 35.64 2qik s ARG 167 CO 0.15 -0.09 0.96 1.19 0.02 0.00 0.00 175.30 177.53 2qik n PHE 168 N 0.36 4.02 0.69 -0.53 3.01 -1.26 -0.34 117.46 123.41 2qik n PHE 168 Ca -0.16 -3.84 0.07 0.00 1.01 0.00 0.00 57.45 54.53 2qik n PHE 168 Cb 0.60 -1.19 -0.03 0.00 -0.01 0.00 0.00 39.48 38.85 2qik n PHE 168 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2qik n THR 169 N 2.03 0.00 -3.04 4.37 -2.24 -1.06 -3.31 114.28 111.03 2qik n THR 169 Ca 0.24 -0.28 -0.41 0.00 -2.27 0.00 0.00 64.05 61.32 2qik n THR 169 Cb 0.37 1.13 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 2qik n THR 169 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2qik s LEU 170 N -2.21 4.11 -0.17 3.22 2.96 -1.09 -0.51 118.68 124.99 2qik s LEU 170 Ca 0.11 0.59 -0.17 0.00 -0.22 0.00 0.00 54.13 54.43 2qik s LEU 170 Cb 0.12 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 2qik s LEU 170 CO 0.46 -0.52 0.44 -0.75 -1.32 0.00 0.00 176.35 174.66 2qik s LYS 171 N 2.74 4.24 0.34 1.98 2.36 -1.26 -1.32 119.74 128.83 2qik s LYS 171 Ca 0.29 0.32 0.05 0.00 -2.55 0.00 0.00 55.97 54.07 2qik s LYS 171 Cb -0.15 -3.50 -0.07 0.00 -1.05 0.00 0.00 37.83 33.07 2qik s LYS 171 CO 0.11 0.03 0.05 1.03 1.55 0.00 0.00 175.35 178.12 2qik s ARG 172 N 1.07 1.72 0.37 4.03 1.81 -0.78 -5.00 118.95 122.18 2qik s ARG 172 Ca 0.22 -1.96 0.08 0.00 -1.72 0.00 0.00 55.73 52.35 2qik s ARG 172 Cb -0.15 -1.05 0.73 0.00 -0.45 0.00 0.00 34.95 34.03 2qik s ARG 172 CO 0.09 -0.16 1.91 0.93 -0.68 0.00 0.00 175.30 177.39 2qik h GLU 173 N 2.03 0.36 -0.41 3.54 5.08 -2.00 -2.76 114.58 120.43 2qik h GLU 173 Ca -0.42 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 2qik h GLU 173 Cb 1.24 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2qik h GLU 173 CO 0.72 0.43 0.00 -0.40 -1.00 0.00 0.00 179.01 178.77 2qik n ASP 174 N -4.29 2.73 0.00 1.42 3.85 -1.26 -5.02 116.55 113.98 2qik n ASP 174 Ca 0.00 -1.93 0.00 0.00 -0.71 0.00 0.00 54.79 52.15 2qik n ASP 174 Cb 0.24 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.75 2qik n ASP 174 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qik n GLY 175 N 1.34 0.74 4.00 6.12 0.00 -1.04 -3.94 105.19 112.41 2qik n GLY 175 Ca 0.18 -2.14 -0.18 0.00 0.00 0.00 0.00 46.02 43.87 2qik n GLY 175 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qik s SER 176 N -2.14 5.52 0.33 1.61 0.01 -0.65 -1.87 113.70 116.51 2qik s SER 176 Ca 0.00 -0.31 0.10 0.00 1.31 0.00 0.00 55.95 57.06 2qik s SER 176 Cb 0.00 -0.70 -0.06 0.00 0.21 0.00 0.00 66.02 65.47 2qik s SER 176 CO 0.00 -0.90 -0.12 -0.13 0.41 0.00 0.00 173.24 172.51 2qik s ARG 177 N -4.49 1.80 0.74 12.44 1.81 -0.43 -4.20 118.95 126.61 2qik s ARG 177 Ca 0.56 -1.89 -0.11 0.00 -1.72 0.00 0.00 55.73 52.57 2qik s ARG 177 Cb -0.10 -1.73 0.03 0.00 -0.45 0.00 0.00 34.95 32.70 2qik s ARG 177 CO 0.35 0.19 1.08 0.00 -0.68 0.00 0.00 175.30 176.23 2qik s ALA 178 N -2.58 2.50 0.00 2.13 0.00 -1.26 -2.57 121.76 119.98 2qik s ALA 178 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2qik s ALA 178 Cb 0.00 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.98 2qik s ALA 178 CO 0.16 -1.43 0.00 -3.47 0.00 0.00 0.00 175.76 171.02 2qik n ASP 179 N -3.26 4.17 -3.64 0.00 2.03 0.54 -4.75 116.55 111.64 2qik n ASP 179 Ca 0.07 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.32 2qik n ASP 179 Cb 0.55 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.88 2qik n ASP 179 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2qik s LEU 181 N 0.00 -0.83 -1.28 -2.67 2.96 -0.13 -1.07 118.68 115.67 2qik s LEU 181 Ca 0.00 1.35 -0.16 0.00 -0.22 0.00 0.00 54.13 55.10 2qik s LEU 181 Cb 0.00 2.24 0.11 0.00 0.50 0.00 0.00 46.19 49.04 2qik s LEU 181 CO 0.00 -0.21 1.66 1.21 -1.32 0.00 0.00 176.35 177.68 2qik n GLU 182 N 4.06 3.26 0.00 1.98 2.13 -1.26 -1.43 120.64 129.38 2qik n GLU 182 Ca -0.19 -3.46 0.00 0.00 0.66 0.00 0.00 57.16 54.17 2qik n GLU 182 Cb 0.58 -3.32 0.00 0.00 0.27 0.00 0.00 31.44 28.97 2qik n GLU 182 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2qik n ASP 183 N 7.25 1.76 0.00 4.31 3.85 -1.04 -4.64 116.55 128.04 2qik n ASP 183 Ca 0.45 -1.77 0.00 0.00 -0.71 0.00 0.00 54.79 52.76 2qik n ASP 183 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 2qik n ASP 183 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qik n GLY 184 N -0.38 0.72 0.00 6.12 0.00 -0.44 -4.99 105.19 106.22 2qik n GLY 184 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qik n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qik n GLY 185 N -2.10 -1.39 2.94 -0.02 0.00 -1.25 -4.60 105.19 98.78 2qik n GLY 185 Ca 0.00 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 2qik n GLY 185 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qik s THR 186 N -0.48 0.12 0.30 2.61 -4.23 -0.81 -0.19 115.64 112.95 2qik s THR 186 Ca 0.00 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.00 2qik s THR 186 Cb 0.00 -0.20 -0.02 0.00 1.34 0.00 0.00 72.50 73.62 2qik s THR 186 CO 0.00 -0.26 0.30 0.28 -0.54 0.00 0.00 174.62 174.41 2qik s THR 187 N -0.80 0.00 0.10 3.99 -1.32 -0.73 -4.66 115.64 112.22 2qik s THR 187 Ca -0.08 -1.87 0.04 0.00 -1.21 0.00 0.00 61.69 58.57 2qik s THR 187 Cb -0.06 -2.52 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2qik s THR 187 CO -0.00 0.00 -0.10 -1.61 -2.21 0.00 0.00 174.62 170.70 2qik s GLU 188 N -3.55 0.86 0.00 7.08 2.02 -1.26 -1.21 118.70 122.64 2qik s GLU 188 Ca 0.37 -1.19 0.00 0.00 0.02 0.00 0.00 54.97 54.17 2qik s GLU 188 Cb 0.03 -0.53 0.00 0.00 0.10 0.00 0.00 34.13 33.73 2qik s GLU 188 CO 0.21 0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.98 2qik n GLY 189 N 0.46 2.16 3.43 -1.39 0.00 -0.34 -4.78 105.19 104.74 2qik n GLY 189 Ca -0.15 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 2qik n GLY 189 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qik s VAL 190 N -2.97 3.37 -0.25 1.61 1.01 0.39 -0.64 120.40 122.92 2qik s VAL 190 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 2qik s VAL 190 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2qik s VAL 190 CO 0.00 0.52 0.16 -0.22 0.00 0.00 0.00 175.10 175.56 2qik s LEU 191 N 0.19 4.04 -0.05 3.92 2.96 -0.44 -0.78 118.68 128.52 2qik s LEU 191 Ca -0.06 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.92 2qik s LEU 191 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 2qik s LEU 191 CO 0.04 0.04 0.00 -0.31 -1.32 0.00 0.00 176.35 174.80 2qik s TYR 192 N 1.21 3.12 -0.34 5.38 2.02 0.45 -0.08 117.35 129.10 2qik s TYR 192 Ca 0.07 0.14 -0.17 0.00 -0.37 0.00 0.00 57.07 56.73 2qik s TYR 192 Cb -0.14 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2qik s TYR 192 CO 0.06 0.46 0.48 0.50 -1.57 0.00 0.00 175.55 175.48 2qik s ARG 193 N -1.21 3.63 0.14 -0.62 3.52 -0.70 -0.95 118.95 122.76 2qik s ARG 193 Ca 0.16 -0.20 0.08 0.00 -0.13 0.00 0.00 55.73 55.65 2qik s ARG 193 Cb -0.11 -3.80 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 2qik s ARG 193 CO 0.06 -0.60 -0.19 0.96 -0.81 0.00 0.00 175.30 174.72 2qik s ILE 194 N 2.31 1.76 0.60 4.11 -4.36 -0.05 -4.54 121.20 121.03 2qik s ILE 194 Ca 0.17 -1.75 -0.16 0.00 -0.26 0.00 0.00 60.65 58.65 2qik s ILE 194 Cb -0.16 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.81 2qik s ILE 194 CO 0.13 -0.21 1.08 -2.84 0.24 0.00 0.00 174.94 173.34 2qik s PRO 195 N -2.41 3.18 0.36 0.37 0.02 -1.26 -0.51 135.00 134.74 2qik s PRO 195 Ca 0.11 1.33 0.15 0.00 0.02 0.00 0.00 61.00 62.61 2qik s PRO 195 Cb -0.08 -2.01 1.04 0.00 0.02 0.00 0.00 34.50 33.48 2qik s PRO 195 CO 0.05 -0.94 1.72 -0.92 -0.33 0.00 0.00 177.00 176.58 2qik h TYR 196 N 0.47 0.86 0.00 6.54 3.20 -1.91 -0.67 116.97 125.45 2qik h TYR 196 Ca -0.47 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2qik h TYR 196 Cb 1.23 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2qik h TYR 196 CO 0.56 -0.02 0.00 -1.13 -1.64 0.00 0.00 178.16 175.94 2qik n SER 197 N -4.84 0.41 -0.00 -2.11 3.41 -1.26 -1.35 113.62 107.88 2qik n SER 197 Ca 0.29 0.64 0.13 0.00 -0.26 0.00 0.00 58.87 59.67 2qik n SER 197 Cb 0.90 -0.71 0.49 0.00 -0.26 0.00 0.00 64.21 64.62 2qik n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qik n ALA 198 N -1.68 2.77 -0.13 7.33 0.00 -0.26 -4.46 120.51 124.09 2qik n ALA 198 Ca 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 53.44 53.13 2qik n ALA 198 Cb 0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.21 2qik n ALA 198 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2qik h LEU 199 N 0.01 0.93 -1.43 0.00 5.85 -1.36 -3.09 115.31 116.22 2qik h LEU 199 Ca 0.00 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.22 2qik h LEU 199 Cb 0.50 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2qik h LEU 199 CO 0.00 1.16 -0.29 0.77 -0.34 0.00 0.00 178.44 179.75 2qik h SER 200 N 0.70 0.00 -0.36 1.25 4.64 -1.79 -0.24 113.55 117.74 2qik h SER 200 Ca 0.08 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.43 2qik h SER 200 Cb 0.86 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.91 2qik h SER 200 CO 0.08 0.29 0.15 0.22 -0.87 0.00 0.00 176.83 176.69 2qik h TYR 201 N 0.00 0.28 -0.63 4.77 3.20 -1.83 -1.18 116.97 121.58 2qik h TYR 201 Ca -0.00 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2qik h TYR 201 Cb 0.53 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2qik h TYR 201 CO 0.00 0.13 0.16 -0.07 -1.64 0.00 0.00 178.16 176.74 2qik h LEU 202 N 0.32 0.94 -1.23 2.82 3.38 -1.15 -0.26 115.31 120.13 2qik h LEU 202 Ca 0.16 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.94 2qik h LEU 202 Cb 0.11 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2qik h LEU 202 CO -0.14 0.92 0.54 1.88 0.09 0.00 0.00 178.44 181.73 2qik h TYR 203 N 0.91 0.96 -0.04 1.13 -1.99 -0.68 -0.38 116.97 116.89 2qik h TYR 203 Ca 0.20 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.92 2qik h TYR 203 Cb 0.34 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 38.75 2qik h TYR 203 CO 0.02 0.55 -0.09 -0.22 -0.00 0.00 0.00 178.16 178.42 2qik h LYS 204 N 0.99 0.14 -0.76 4.88 3.64 -0.88 -1.71 116.57 122.87 2qik h LYS 204 Ca 0.33 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.71 2qik h LYS 204 Cb 0.06 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2qik h LYS 204 CO -0.10 0.68 0.50 -0.09 -2.27 0.00 0.00 179.45 178.17 2qik h ARG 205 N -0.38 0.67 -0.27 1.90 2.43 -0.74 -1.92 114.38 116.07 2qik h ARG 205 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2qik h ARG 205 Cb 0.68 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2qik h ARG 205 CO 0.02 0.44 0.00 0.39 -1.51 0.00 0.00 179.97 179.31 2qik n GLU 206 N -4.50 1.96 -3.41 0.20 -0.58 -0.18 -4.95 120.64 109.18 2qik n GLU 206 Ca 0.12 -1.45 -0.23 0.00 -0.42 0.00 0.00 57.16 55.18 2qik n GLU 206 Cb 0.32 -1.41 0.07 0.00 -0.57 0.00 0.00 31.44 29.84 2qik n GLU 206 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qik n GLY 207 N 1.22 -0.52 0.22 0.62 0.00 -0.72 -2.48 105.19 103.53 2qik n GLY 207 Ca 0.16 0.21 -0.07 0.00 0.00 0.00 0.00 46.02 46.32 2qik n GLY 207 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qik h VAL 208 N -2.30 1.15 0.00 1.61 2.07 -1.47 -1.01 116.25 116.29 2qik h VAL 208 Ca -0.55 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 2qik h VAL 208 Cb 1.36 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2qik h VAL 208 CO 0.56 0.15 -0.26 -0.08 0.02 0.00 0.00 177.57 177.95 2qik h GLU 209 N 0.70 0.00 -0.47 1.57 4.81 -1.88 -2.10 114.58 117.20 2qik h GLU 209 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2qik h GLU 209 Cb -0.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2qik h GLU 209 CO -0.04 0.26 0.00 -1.13 -0.73 0.00 0.00 179.01 177.38 2qik n SER 210 N -3.91 2.53 -3.12 1.04 3.41 -0.94 -4.94 113.62 107.69 2qik n SER 210 Ca -0.02 -2.01 -0.20 0.00 -0.26 0.00 0.00 58.87 56.39 2qik n SER 210 Cb 0.34 -0.32 0.07 0.00 -0.26 0.00 0.00 64.21 64.04 2qik n SER 210 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qik n LEU 211 N 0.87 -3.27 -0.03 1.04 4.77 -0.79 -4.94 117.00 114.66 2qik n LEU 211 Ca 0.16 -0.47 -0.01 0.00 -0.03 0.00 0.00 56.01 55.66 2qik n LEU 211 Cb 0.40 -2.66 -0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2qik n LEU 211 CO 0.11 0.53 -0.08 0.74 -1.33 0.00 0.00 177.39 177.36 2qik h THR 212 N -2.21 0.00 -2.30 -5.08 2.02 -1.42 -3.43 112.91 100.48 2qik h THR 212 Ca -0.49 -0.53 -0.58 0.00 0.77 0.00 0.00 66.41 65.58 2qik h THR 212 Cb 1.31 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 2qik h THR 212 CO 0.47 0.00 -0.68 -0.31 0.37 0.00 0.00 175.52 175.36 2qik s TYR 213 N -1.45 2.58 0.10 3.16 2.02 -1.03 -2.01 117.35 120.73 2qik s TYR 213 Ca -0.03 -0.25 0.08 0.00 -0.37 0.00 0.00 57.07 56.49 2qik s TYR 213 Cb 0.00 -1.15 -0.04 0.00 -0.40 0.00 0.00 41.96 40.37 2qik s TYR 213 CO 0.05 0.63 -0.12 -0.98 -1.57 0.00 0.00 175.55 173.56 2qik s ARG 214 N -3.53 2.03 0.51 -0.62 1.70 0.09 -4.07 118.95 115.06 2qik s ARG 214 Ca 0.30 -1.06 -0.23 0.00 -0.47 0.00 0.00 55.73 54.27 2qik s ARG 214 Cb -0.06 -2.25 -0.06 0.00 -0.57 0.00 0.00 34.95 32.01 2qik s ARG 214 CO 0.18 0.50 1.37 -2.14 -1.08 0.00 0.00 175.30 174.14 2qik s PRO 215 N -2.16 3.36 0.26 3.89 0.02 -1.26 -1.23 135.00 137.88 2qik s PRO 215 Ca 0.20 2.28 -0.10 0.00 0.02 0.00 0.00 61.00 63.40 2qik s PRO 215 Cb -0.11 -2.40 -0.00 0.00 0.02 0.00 0.00 34.50 32.00 2qik s PRO 215 CO 0.12 -1.03 0.46 0.00 -0.33 0.00 0.00 177.00 176.22 2qik s ALA 216 N -1.27 0.02 -0.02 -1.55 0.00 -0.06 -4.84 121.76 114.03 2qik s ALA 216 Ca 0.67 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.62 2qik s ALA 216 Cb -0.41 1.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.80 2qik s ALA 216 CO 0.50 -0.83 -0.09 -0.06 0.00 0.00 0.00 175.76 175.28 2qik s PHE 217 N -3.81 0.90 0.04 0.00 0.08 -1.26 -0.76 117.98 113.17 2qik s PHE 217 Ca 0.25 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 57.07 2qik s PHE 217 Cb -0.00 -0.62 -0.02 0.00 -0.57 0.00 0.00 43.02 41.81 2qik s PHE 217 CO 0.11 -0.06 0.03 0.14 -0.10 0.00 0.00 175.22 175.33 2qik s VAL 218 N 0.03 0.15 -0.17 -0.44 -7.23 -0.41 -4.92 120.40 107.40 2qik s VAL 218 Ca -0.00 -1.26 -0.06 0.00 -1.81 0.00 0.00 61.98 58.85 2qik s VAL 218 Cb -0.07 -0.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 2qik s VAL 218 CO 0.00 -0.69 0.04 -1.81 -0.31 0.00 0.00 175.10 172.33 2qik s ASP 219 N -2.20 5.45 0.14 4.85 1.01 -1.26 -0.46 116.67 124.20 2qik s ASP 219 Ca -0.04 0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.29 2qik s ASP 219 Cb -0.01 -1.91 -0.04 0.00 1.01 0.00 0.00 42.92 41.97 2qik s ASP 219 CO -0.05 0.19 -0.05 0.68 0.21 0.00 0.00 175.17 176.14 2qik s VAL 220 N 0.27 0.83 -0.20 -1.27 -7.23 -0.54 -4.79 120.40 107.48 2qik s VAL 220 Ca 0.02 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.15 2qik s VAL 220 Cb -0.13 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.89 2qik s VAL 220 CO 0.01 -0.69 0.01 -0.70 -0.31 0.00 0.00 175.10 173.42 2qik s GLU 221 N -3.84 3.68 -0.11 4.82 2.12 -0.93 -0.79 118.70 123.66 2qik s GLU 221 Ca 0.18 -0.49 -0.04 0.00 0.36 0.00 0.00 54.97 54.98 2qik s GLU 221 Cb 0.05 -3.11 0.05 0.00 0.26 0.00 0.00 34.13 31.38 2qik s GLU 221 CO -0.00 0.06 0.22 0.00 -0.54 0.00 0.00 175.26 175.00 2qik s ALA 222 N 0.90 -0.41 -0.83 6.30 0.00 -0.00 -1.46 121.76 126.26 2qik s ALA 222 Ca 0.02 0.81 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 2qik s ALA 222 Cb -0.14 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.12 2qik s ALA 222 CO 0.02 -0.52 0.49 0.41 0.00 0.00 0.00 175.76 176.16 2qik n GLY 223 N 5.12 0.05 2.49 0.00 0.00 -1.26 -2.59 105.19 109.00 2qik n GLY 223 Ca -0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 46.02 45.68 2qik n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qik n GLY 224 N -1.26 0.44 3.30 -0.02 0.00 -1.26 -5.00 105.19 101.39 2qik n GLY 224 Ca -0.03 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 2qik n GLY 224 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2qik s ARG 225 N -1.46 1.16 -0.19 1.61 3.52 -1.07 -5.12 118.95 117.40 2qik s ARG 225 Ca 0.00 -1.25 -0.08 0.00 -0.13 0.00 0.00 55.73 54.27 2qik s ARG 225 Cb 0.00 -1.32 -0.04 0.00 -1.56 0.00 0.00 34.95 32.03 2qik s ARG 225 CO 0.00 0.29 0.08 -1.01 -0.81 0.00 0.00 175.30 173.85 2qik s HIS 226 N -1.55 3.28 -0.13 5.12 3.76 -1.26 -0.82 115.29 123.69 2qik s HIS 226 Ca 0.10 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.15 2qik s HIS 226 Cb -0.08 -2.10 0.00 0.00 1.11 0.00 0.00 32.58 31.51 2qik s HIS 226 CO 0.05 0.18 -0.20 0.71 -0.85 0.00 0.00 174.74 174.63 2qik s TYR 227 N 0.38 2.68 -0.07 1.40 2.02 0.03 -4.99 117.35 118.80 2qik s TYR 227 Ca 0.04 -1.09 -0.03 0.00 -0.37 0.00 0.00 57.07 55.62 2qik s TYR 227 Cb -0.12 -1.80 -0.04 0.00 -0.40 0.00 0.00 41.96 39.60 2qik s TYR 227 CO -0.00 -0.47 0.08 0.15 -1.57 0.00 0.00 175.55 173.74 2qik s LYS 228 N 0.61 3.18 -1.25 -0.62 1.02 -1.26 -1.46 119.74 119.95 2qik s LYS 228 Ca -0.11 -0.34 -0.07 0.00 0.02 0.00 0.00 55.97 55.47 2qik s LYS 228 Cb -0.16 -2.96 0.01 0.00 -0.52 0.00 0.00 37.83 34.20 2qik s LYS 228 CO 0.03 0.71 1.09 -0.25 -0.92 0.00 0.00 175.35 176.01 2qik n ASP 229 N 1.71 -5.47 -4.75 2.83 10.43 -1.20 -4.95 116.55 115.15 2qik n ASP 229 Ca -0.17 -0.52 -0.41 0.00 2.57 0.00 0.00 54.79 56.26 2qik n ASP 229 Cb 0.54 -4.77 -0.04 0.00 1.84 0.00 0.00 41.12 38.69 2qik n ASP 229 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2qik s LEU 231 N -0.78 4.49 0.00 0.00 2.96 0.27 -1.29 118.68 124.33 2qik s LEU 231 Ca 0.50 2.13 0.06 0.00 -0.22 0.00 0.00 54.13 56.59 2qik s LEU 231 Cb -0.33 -3.61 -0.02 0.00 0.50 0.00 0.00 46.19 42.73 2qik s LEU 231 CO 0.40 -0.23 0.30 1.07 -1.32 0.00 0.00 176.35 176.57 2qik n THR 232 N 2.25 0.00 -4.57 3.68 5.66 0.06 -0.21 114.28 121.15 2qik n THR 232 Ca 0.02 -2.19 -0.22 0.00 -3.05 0.00 0.00 64.05 58.61 2qik n THR 232 Cb 0.46 1.13 -0.15 0.00 -1.55 0.00 0.00 70.33 70.21 2qik n THR 232 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2qik s PHE 233 N -3.23 1.22 0.03 1.09 0.40 -1.26 -0.89 117.98 115.35 2qik s PHE 233 Ca 0.36 -0.30 0.06 0.00 -0.60 0.00 0.00 56.93 56.45 2qik s PHE 233 Cb 0.01 -0.83 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 2qik s PHE 233 CO 0.25 -0.09 -0.16 -0.51 0.70 0.00 0.00 175.22 175.41 2qik s LEU 234 N 0.00 2.15 0.30 -0.37 1.43 -0.36 -4.93 118.68 116.89 2qik s LEU 234 Ca -0.01 -0.45 -0.29 0.00 -1.03 0.00 0.00 54.13 52.35 2qik s LEU 234 Cb -0.08 -0.76 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 2qik s LEU 234 CO 0.01 0.10 1.39 -0.69 0.23 0.00 0.00 176.35 177.38 2qik s VAL 235 N -0.75 2.62 -0.08 -1.59 1.01 -1.26 -0.73 120.40 119.61 2qik s VAL 235 Ca 0.04 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.43 2qik s VAL 235 Cb -0.08 -3.36 -0.29 0.00 0.00 0.00 0.00 36.38 32.65 2qik s VAL 235 CO 0.01 0.12 0.65 -0.07 0.00 0.00 0.00 175.10 175.80 2qik h LEU 236 N 4.10 0.43 -7.75 3.92 3.38 -1.68 -3.42 115.31 114.30 2qik h LEU 236 Ca -0.48 -0.88 -0.71 0.00 0.09 0.00 0.00 57.88 55.91 2qik h LEU 236 Cb 1.22 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.50 2qik h LEU 236 CO 0.71 1.59 -0.41 -1.10 0.09 0.00 0.00 178.44 179.32 2qik s GLN 237 N -2.48 2.40 0.09 1.13 1.11 -1.26 -5.07 119.66 115.57 2qik s GLN 237 Ca -0.18 -2.12 -0.24 0.00 0.01 0.00 0.00 55.36 52.84 2qik s GLN 237 Cb 0.04 -3.75 -0.07 0.00 -1.01 0.00 0.00 33.01 28.22 2qik s GLN 237 CO 0.79 -1.15 0.72 0.15 0.01 0.00 0.00 175.29 175.81 2qik s LYS 238 N 0.67 4.46 0.33 2.91 1.02 -1.26 -4.66 119.74 123.20 2qik s LYS 238 Ca 0.12 1.01 0.08 0.00 0.02 0.00 0.00 55.97 57.19 2qik s LYS 238 Cb -0.22 -3.31 -0.06 0.00 -0.52 0.00 0.00 37.83 33.72 2qik s LYS 238 CO -0.03 0.45 -0.05 -1.21 -0.92 0.00 0.00 175.35 173.58 2qik s GLU 239 N -0.62 1.74 0.50 1.68 2.02 0.33 -5.04 118.70 119.32 2qik s GLU 239 Ca 0.35 -1.92 -0.22 0.00 0.02 0.00 0.00 54.97 53.21 2qik s GLU 239 Cb -0.21 -1.44 -0.08 0.00 0.10 0.00 0.00 34.13 32.50 2qik s GLU 239 CO 0.23 0.04 1.04 0.00 0.02 0.00 0.00 175.26 176.59 2qik n ALA 240 N -0.75 0.39 -1.92 5.21 0.00 -1.26 -4.47 120.51 117.70 2qik n ALA 240 Ca -0.05 0.14 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 2qik n ALA 240 Cb 0.64 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.94 2qik n ALA 240 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qik s GLU 241 N -2.36 4.43 0.22 0.00 2.02 -1.26 -4.82 118.70 116.93 2qik s GLU 241 Ca 0.68 2.03 0.05 0.00 0.02 0.00 0.00 54.97 57.74 2qik s GLU 241 Cb -0.49 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 30.52 2qik s GLU 241 CO 0.53 -0.15 -0.05 0.96 0.02 0.00 0.00 175.26 176.57 2qik s ILE 242 N -0.37 1.26 0.46 -1.63 -4.36 -1.21 -4.63 121.20 110.73 2qik s ILE 242 Ca 0.53 -2.08 -0.24 0.00 -0.26 0.00 0.00 60.65 58.60 2qik s ILE 242 Cb -0.36 -2.22 -0.07 0.00 1.25 0.00 0.00 42.46 41.06 2qik s ILE 242 CO 0.42 -0.44 1.28 0.00 0.24 0.00 0.00 174.94 176.43 2qik s ALA 243 N -3.27 3.05 0.62 2.27 0.00 0.30 -4.22 121.76 120.51 2qik s ALA 243 Ca 0.25 1.18 -0.15 0.00 0.00 0.00 0.00 51.96 53.25 2qik s ALA 243 Cb 0.04 -3.48 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2qik s ALA 243 CO 0.07 -0.94 1.06 -1.25 0.00 0.00 0.00 175.76 174.70 2qik s PRO 244 N -2.57 3.22 0.75 0.00 0.04 -1.26 -1.64 135.00 133.54 2qik s PRO 244 Ca 0.63 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2qik s PRO 244 Cb -0.36 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.20 2qik s PRO 244 CO 0.45 -0.89 1.09 -1.25 0.04 0.00 0.00 177.00 176.44 2qik s PRO 245 N -4.27 2.37 0.15 0.56 0.04 -1.25 -4.80 135.00 127.80 2qik s PRO 245 Ca 0.62 1.17 -0.14 0.00 0.04 0.00 0.00 61.00 62.69 2qik s PRO 245 Cb -0.16 -1.91 0.03 0.00 0.04 0.00 0.00 34.50 32.51 2qik s PRO 245 CO 0.41 -1.55 1.69 0.37 0.04 0.00 0.00 177.00 177.95 2qik h GLN 246 N -0.98 0.76 0.01 4.56 4.15 -1.96 -0.46 115.11 121.19 2qik h GLN 246 Ca -0.44 -0.15 0.01 0.00 0.77 0.00 0.00 58.65 58.84 2qik h GLN 246 Cb 1.23 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 2qik h GLN 246 CO 0.52 0.69 -0.05 1.12 -1.93 0.00 0.00 178.83 179.18 2qik h HIS 247 N 0.67 -0.12 -0.46 3.99 2.07 -2.00 -0.64 115.15 118.66 2qik h HIS 247 Ca 0.16 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.68 2qik h HIS 247 Cb 0.23 0.05 -0.02 0.00 2.57 0.00 0.00 27.41 30.24 2qik h HIS 247 CO 0.01 -0.08 0.25 -0.92 -3.07 0.00 0.00 177.93 174.13 2qik h TYR 248 N -0.09 0.63 -0.80 6.12 3.20 -1.91 -2.38 116.97 121.74 2qik h TYR 248 Ca 0.02 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2qik h TYR 248 Cb 0.11 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.14 2qik h TYR 248 CO -0.11 0.47 0.52 0.37 -1.64 0.00 0.00 178.16 177.77 2qik h GLN 249 N 0.61 1.06 -0.58 1.82 4.15 -0.80 -1.85 115.11 119.50 2qik h GLN 249 Ca 0.16 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.47 2qik h GLN 249 Cb 0.05 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 2qik h GLN 249 CO -0.03 0.71 0.20 0.82 -1.93 0.00 0.00 178.83 178.60 2qik h ILE 250 N 1.09 1.22 -0.45 2.39 2.04 -0.63 -0.40 117.51 122.76 2qik h ILE 250 Ca 0.29 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.44 2qik h ILE 250 Cb -0.11 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 2qik h ILE 250 CO -0.06 0.28 0.27 -0.33 0.00 0.00 0.00 178.15 178.31 2qik h GLU 251 N 0.84 0.52 -0.61 2.37 5.08 -0.93 -1.21 114.58 120.66 2qik h GLU 251 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2qik h GLU 251 Cb 0.22 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2qik h GLU 251 CO -0.01 0.35 0.38 0.82 -1.00 0.00 0.00 179.01 179.54 2qik h ILE 252 N 0.54 1.17 -0.60 3.13 2.04 -1.00 -1.65 117.51 121.15 2qik h ILE 252 Ca 0.18 -0.37 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 2qik h ILE 252 Cb 0.01 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 2qik h ILE 252 CO -0.08 0.18 0.21 -0.33 0.00 0.00 0.00 178.15 178.12 2qik h GLU 253 N 0.83 0.92 -0.49 2.37 5.08 -0.78 0.90 114.58 123.41 2qik h GLU 253 Ca 0.22 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2qik h GLU 253 Cb -0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 2qik h GLU 253 CO -0.04 0.81 0.13 0.00 -1.00 0.00 0.00 179.01 178.91 2qik h ARG 254 N 0.84 0.78 -0.45 2.33 3.08 -0.92 -0.80 114.38 119.25 2qik h ARG 254 Ca 0.20 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 59.94 2qik h ARG 254 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2qik h ARG 254 CO -0.01 0.74 -0.21 0.78 -1.07 0.00 0.00 179.97 180.20 2qik h GLY 255 N 0.67 0.98 1.06 0.04 0.00 -0.99 -1.57 103.07 103.26 2qik h GLY 255 Ca 0.16 -0.85 -0.10 0.00 0.00 0.00 0.00 47.33 46.53 2qik h GLY 255 CO -0.00 0.77 -0.09 0.00 0.00 0.00 0.00 176.54 177.22 2qik h ALA 256 N 0.97 0.69 -0.71 3.60 0.00 -0.64 -1.77 119.26 121.40 2qik h ALA 256 Ca 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2qik h ALA 256 Cb 0.76 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2qik h ALA 256 CO 0.06 0.59 0.41 0.93 0.00 0.00 0.00 179.25 181.24 2qik h GLU 257 N 0.82 0.97 -0.25 0.00 5.08 -1.04 0.66 114.58 120.83 2qik h GLU 257 Ca 0.13 -0.09 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2qik h GLU 257 Cb 0.65 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2qik h GLU 257 CO 0.04 0.70 -0.44 1.25 -1.00 0.00 0.00 179.01 179.56 2qik h LEU 258 N 0.99 0.82 0.00 1.33 5.85 -0.85 -3.40 115.31 120.04 2qik h LEU 258 Ca 0.26 -0.53 -0.17 0.00 0.84 0.00 0.00 57.88 58.27 2qik h LEU 258 Cb -0.01 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 2qik h LEU 258 CO -0.05 1.20 -1.64 -1.22 -0.34 0.00 0.00 178.44 176.39 2qik n TYR 259 N -4.15 0.00 -2.83 1.25 4.01 -0.71 -5.08 117.16 109.65 2qik n TYR 259 Ca -0.05 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.50 2qik n TYR 259 Cb 0.56 -0.45 0.03 0.00 -0.31 0.00 0.00 39.34 39.17 2qik n TYR 259 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2qik s LEU 260 N -4.85 3.45 0.44 7.72 1.43 0.20 -4.38 118.68 122.70 2qik s LEU 260 Ca -0.06 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.56 2qik s LEU 260 Cb 0.03 -2.73 -0.08 0.00 0.03 0.00 0.00 46.19 43.45 2qik s LEU 260 CO 0.36 -0.97 1.25 -0.94 0.23 0.00 0.00 176.35 176.27 2qik s SER 261 N -4.40 6.14 0.30 2.29 1.04 -1.26 -4.85 113.70 112.97 2qik s SER 261 Ca 0.56 2.52 0.04 0.00 0.48 0.00 0.00 55.95 59.55 2qik s SER 261 Cb -0.10 -2.62 0.67 0.00 0.10 0.00 0.00 66.02 64.07 2qik s SER 261 CO 0.36 -0.95 1.82 -0.65 0.98 0.00 0.00 173.24 174.80 2qik h PRO 262 N 2.30 0.84 -0.48 4.02 0.11 -1.96 -0.47 132.00 136.35 2qik h PRO 262 Ca -0.50 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 2qik h PRO 262 Cb 1.25 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2qik h PRO 262 CO 0.61 0.55 -0.18 1.49 -0.21 0.00 0.00 178.00 180.27 2qik h GLU 263 N 0.86 0.97 -0.28 1.05 4.57 -1.99 -0.92 114.58 118.84 2qik h GLU 263 Ca 0.52 -0.40 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 2qik h GLU 263 Cb 0.68 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.23 2qik h GLU 263 CO -0.29 1.07 -0.40 0.35 -1.18 0.00 0.00 179.01 178.56 2qik h PHE 264 N 0.82 0.95 -0.84 0.92 3.57 -1.79 -2.10 116.94 118.48 2qik h PHE 264 Ca 0.11 -0.31 -0.01 0.00 3.53 0.00 0.00 57.97 61.29 2qik h PHE 264 Cb 0.75 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2qik h PHE 264 CO 0.05 1.10 0.48 1.15 -2.23 0.00 0.00 178.31 178.86 2qik h THR 265 N 0.52 1.24 -0.44 4.41 2.02 -0.89 0.11 112.91 119.88 2qik h THR 265 Ca 0.03 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.60 2qik h THR 265 Cb 0.99 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2qik h THR 265 CO 0.09 0.26 0.07 -0.08 0.37 0.00 0.00 175.52 176.23 2qik h GLU 266 N 1.16 0.72 -0.60 6.66 4.81 -1.04 -0.89 114.58 125.40 2qik h GLU 266 Ca 0.30 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 59.37 2qik h GLU 266 Cb -0.01 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.24 2qik h GLU 266 CO -0.05 0.75 0.35 0.87 -0.73 0.00 0.00 179.01 180.20 2qik h LYS 267 N 0.58 0.66 -0.32 1.92 1.57 -0.78 -0.76 116.57 119.43 2qik h LYS 267 Ca 0.13 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2qik h LYS 267 Cb 0.38 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 2qik h LYS 267 CO 0.01 0.44 0.07 1.25 -0.57 0.00 0.00 179.45 180.64 2qik h LEU 268 N 0.68 0.50 -0.28 2.94 5.85 -0.72 -0.46 115.31 123.83 2qik h LEU 268 Ca 0.25 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2qik h LEU 268 Cb 0.07 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2qik h LEU 268 CO -0.13 0.62 0.14 0.11 -0.34 0.00 0.00 178.44 178.84 2qik h LYS 269 N 0.36 0.28 -0.67 1.25 1.57 -1.08 -2.56 116.57 115.72 2qik h LYS 269 Ca 0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2qik h LYS 269 Cb 0.32 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 2qik h LYS 269 CO 0.00 0.18 0.29 0.00 -0.57 0.00 0.00 179.45 179.36 2qik h ARG 270 N 0.29 0.96 -0.65 3.15 3.08 -0.89 -1.13 114.38 119.20 2qik h ARG 270 Ca 0.11 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2qik h ARG 270 Cb 0.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2qik h ARG 270 CO -0.08 0.76 0.00 1.58 -1.07 0.00 0.00 179.97 181.16 2qik n HIS 271 N -4.32 0.00 0.00 3.04 -0.00 -0.20 -1.48 115.22 112.25 2qik n HIS 271 Ca 0.06 -0.02 0.00 0.00 0.46 0.00 0.00 57.72 58.22 2qik n HIS 271 Cb 0.15 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2qik n HIS 271 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2qik n ASN 273 N 0.58 0.00 0.10 0.26 5.03 -0.43 -2.95 115.26 117.85 2qik n ASN 273 Ca 0.00 0.00 0.12 0.00 0.87 0.00 0.00 54.58 55.57 2qik n ASN 273 Cb 0.05 0.00 0.06 0.00 -1.02 0.00 0.00 39.78 38.87 2qik n ASN 273 CO 0.00 0.00 0.00 -1.28 -1.83 0.00 0.00 177.26 174.15 2qik h SER 274 N 0.00 0.00 -4.04 6.41 0.87 -1.52 -3.48 113.55 111.80 2qik h SER 274 Ca 0.00 -0.06 -0.49 0.00 -1.23 0.00 0.00 61.79 60.01 2qik h SER 274 Cb 0.00 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2qik h SER 274 CO 0.00 0.03 0.43 -0.76 -0.53 0.00 0.00 176.83 176.00 2qik s LEU 275 N -5.14 3.90 0.59 2.23 1.43 -1.15 -5.00 118.68 115.54 2qik s LEU 275 Ca 0.02 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.06 2qik s LEU 275 Cb 0.10 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 2qik s LEU 275 CO 0.76 -0.91 1.11 -2.16 0.23 0.00 0.00 176.35 175.38 2qik s PRO 276 N -3.00 3.16 0.49 1.29 0.04 -1.26 -4.38 135.00 131.33 2qik s PRO 276 Ca 0.67 1.45 -0.21 0.00 0.04 0.00 0.00 61.00 62.95 2qik s PRO 276 Cb -0.23 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.24 2qik s PRO 276 CO 0.27 -0.98 1.06 0.21 0.04 0.00 0.00 177.00 177.61 2qik s LYS 277 N -3.72 3.74 0.00 4.56 2.20 -1.26 -0.54 119.74 124.72 2qik s LYS 277 Ca 0.69 1.45 0.00 0.00 -0.36 0.00 0.00 55.97 57.74 2qik s LYS 277 Cb -0.21 -2.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.98 2qik s LYS 277 CO 0.34 -0.50 0.49 0.41 -0.36 0.00 0.00 175.35 175.73