#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k9x s VAL 17 N 0.00 5.27 0.00 1.39 1.01 0.11 -3.99 120.40 124.18 3k9x s VAL 17 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.49 3k9x s VAL 17 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3k9x s VAL 17 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3k9x n GLY 18 N 3.97 0.05 7.00 4.51 0.00 -1.26 -1.59 105.19 117.88 3k9x n GLY 18 Ca -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3k9x n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9x n GLY 19 N 0.00 0.91 3.16 -0.02 0.00 -1.26 -4.91 105.19 103.07 3k9x n GLY 19 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3k9x n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k9x s GLN 20 N 0.00 0.74 0.37 1.61 -0.21 -0.66 -4.98 119.66 116.52 3k9x s GLN 20 Ca 0.00 -1.02 -0.27 0.00 0.02 0.00 0.00 55.36 54.09 3k9x s GLN 20 Cb 0.00 0.29 -0.09 0.00 1.00 0.00 0.00 33.01 34.20 3k9x s GLN 20 CO 0.00 -0.20 1.30 -2.00 -2.12 0.00 0.00 175.29 172.27 3k9x s GLU 21 N -3.74 4.15 0.16 2.91 2.12 -1.26 -0.75 118.70 122.29 3k9x s GLU 21 Ca 0.05 2.18 -0.31 0.00 0.36 0.00 0.00 54.97 57.24 3k9x s GLU 21 Cb 0.05 -2.90 -0.09 0.00 0.26 0.00 0.00 34.13 31.46 3k9x s GLU 21 CO -0.10 -0.35 1.38 0.00 -0.54 0.00 0.00 175.26 175.65 3k9x s LYS 23 N 0.51 2.21 -0.14 0.00 1.02 -1.26 -4.93 119.74 117.15 3k9x s LYS 23 Ca 0.62 0.50 -0.38 0.00 0.02 0.00 0.00 55.97 56.73 3k9x s LYS 23 Cb -0.38 -1.94 -0.16 0.00 -0.52 0.00 0.00 37.83 34.83 3k9x s LYS 23 CO 0.35 -1.50 1.63 -3.47 -0.92 0.00 0.00 175.35 171.43 3k9x n ASP 24 N -3.33 2.26 0.00 2.83 2.03 -1.26 -1.31 116.55 117.77 3k9x n ASP 24 Ca 0.07 1.08 0.00 0.00 0.52 0.00 0.00 54.79 56.46 3k9x n ASP 24 Cb 0.57 -1.18 0.00 0.00 -0.72 0.00 0.00 41.12 39.79 3k9x n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k9x n GLY 25 N 3.68 1.48 0.12 0.27 0.00 -1.26 -4.89 105.19 104.60 3k9x n GLY 25 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.13 3k9x n GLY 25 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k9x h GLU 26 N 2.26 0.27 -2.13 1.61 4.81 -1.56 -3.36 114.58 116.48 3k9x h GLU 26 Ca 0.00 -0.36 -0.54 0.00 -0.13 0.00 0.00 59.36 58.33 3k9x h GLU 26 Cb 0.00 0.12 -0.41 0.00 0.63 0.00 0.00 28.75 29.09 3k9x h GLU 26 CO 0.00 1.10 -0.89 0.00 -0.73 0.00 0.00 179.01 178.49 3k9x h PRO 28 N 2.98 0.00 -0.01 0.00 0.13 -1.78 -2.62 132.00 130.70 3k9x h PRO 28 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3k9x h PRO 28 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 3k9x h PRO 28 CO 0.68 0.00 -0.00 -2.67 -0.23 0.00 0.00 178.00 175.78 3k9x n TRP 29 N -2.87 0.00 -2.07 1.56 2.14 -1.07 -1.84 117.44 113.30 3k9x n TRP 29 Ca 0.02 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.18 3k9x n TRP 29 Cb 0.35 -0.01 -0.02 0.00 -0.81 0.00 0.00 31.31 30.82 3k9x n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3k9x s GLN 30 N -2.02 4.30 0.27 -2.67 2.00 -0.99 0.09 119.66 120.64 3k9x s GLN 30 Ca 0.42 2.24 0.10 0.00 -2.00 0.00 0.00 55.36 56.12 3k9x s GLN 30 Cb 0.21 -3.13 -0.05 0.00 0.80 0.00 0.00 33.01 30.84 3k9x s GLN 30 CO 0.36 -0.37 -0.15 0.00 -0.50 0.00 0.00 175.29 174.62 3k9x s ALA 31 N 0.01 2.53 -0.08 1.58 0.00 -0.05 -4.45 121.76 121.30 3k9x s ALA 31 Ca 0.59 -1.86 0.00 0.00 0.00 0.00 0.00 51.96 50.69 3k9x s ALA 31 Cb -0.40 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.62 3k9x s ALA 31 CO 0.42 0.14 -0.07 -1.17 0.00 0.00 0.00 175.76 175.08 3k9x s LEU 32 N -3.46 1.26 -0.16 0.00 2.96 -0.53 -1.30 118.68 117.45 3k9x s LEU 32 Ca 0.28 -0.24 -0.24 0.00 -0.22 0.00 0.00 54.13 53.72 3k9x s LEU 32 Cb -0.02 -0.71 -0.02 0.00 0.50 0.00 0.00 46.19 45.95 3k9x s LEU 32 CO 0.13 -0.07 0.74 -0.76 -1.32 0.00 0.00 176.35 175.06 3k9x s LEU 33 N 1.31 4.19 -0.10 -0.68 1.43 -0.32 -0.29 118.68 124.21 3k9x s LEU 33 Ca -0.03 1.07 0.02 0.00 -1.03 0.00 0.00 54.13 54.15 3k9x s LEU 33 Cb -0.14 -3.10 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 3k9x s LEU 33 CO -0.03 -0.31 -0.15 0.27 0.23 0.00 0.00 176.35 176.36 3k9x s ILE 34 N 1.82 2.87 0.00 -0.59 -4.36 -0.68 -0.88 121.20 119.38 3k9x s ILE 34 Ca 0.35 -0.75 0.00 0.00 -0.26 0.00 0.00 60.65 60.00 3k9x s ILE 34 Cb -0.17 -2.17 0.00 0.00 1.25 0.00 0.00 42.46 41.38 3k9x s ILE 34 CO 0.13 0.55 0.00 -0.46 0.24 0.00 0.00 174.94 175.40 3k9x n ASN 35 N 3.19 0.00 0.22 4.36 0.23 -0.02 -1.59 115.26 121.64 3k9x n ASN 35 Ca -0.18 -0.62 0.15 0.00 -0.53 0.00 0.00 54.58 53.40 3k9x n ASN 35 Cb 0.53 0.00 0.55 0.00 -2.08 0.00 0.00 39.78 38.77 3k9x n ASN 35 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3k9x h GLU 36 N 0.00 0.00 -0.27 -3.83 3.07 -1.88 0.12 114.58 111.80 3k9x h GLU 36 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k9x h GLU 36 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3k9x h GLU 36 CO 0.00 0.00 0.00 0.39 -1.40 0.00 0.00 179.01 178.00 3k9x n GLU 37 N -2.84 1.86 -1.67 2.33 4.71 -1.26 -4.92 120.64 118.85 3k9x n GLU 37 Ca 0.02 -1.31 -0.18 0.00 -0.01 0.00 0.00 57.16 55.67 3k9x n GLU 37 Cb 0.33 -1.37 -0.07 0.00 -1.01 0.00 0.00 31.44 29.32 3k9x n GLU 37 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3k9x n ASN 38 N 0.54 -5.25 -4.78 1.62 4.13 0.42 -5.00 115.26 106.94 3k9x n ASN 38 Ca 0.15 0.38 -0.37 0.00 1.68 0.00 0.00 54.58 56.42 3k9x n ASN 38 Cb 0.35 -4.36 -0.06 0.00 -1.54 0.00 0.00 39.78 34.17 3k9x n ASN 38 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 3k9x s GLU 39 N -3.78 4.05 0.30 3.52 2.02 -1.26 -4.76 118.70 118.79 3k9x s GLU 39 Ca 0.00 0.23 -0.29 0.00 0.02 0.00 0.00 54.97 54.93 3k9x s GLU 39 Cb 0.00 -3.32 -0.11 0.00 0.10 0.00 0.00 34.13 30.80 3k9x s GLU 39 CO 0.00 0.46 1.45 0.20 0.02 0.00 0.00 175.26 177.39 3k9x s GLY 40 N -0.25 2.57 0.00 -1.39 0.00 -1.26 -0.84 107.32 106.14 3k9x s GLY 40 Ca 0.20 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.33 3k9x s GLY 40 CO 0.08 2.24 0.06 1.97 0.00 0.00 0.00 173.10 177.46 3k9x n PHE 41 N 1.55 0.00 -3.50 1.90 1.16 -0.06 -4.92 117.46 113.59 3k9x n PHE 41 Ca 0.04 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.53 3k9x n PHE 41 Cb 0.40 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.25 3k9x n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3k9x n GLY 43 N -0.19 2.52 3.80 0.00 0.00 0.20 -1.18 105.19 110.33 3k9x n GLY 43 Ca -0.10 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.62 3k9x n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k9x s GLY 44 N -3.18 0.21 -0.06 -0.02 0.00 -0.42 -3.61 107.32 100.24 3k9x s GLY 44 Ca 0.24 -0.58 0.04 0.00 0.00 0.00 0.00 44.72 44.41 3k9x s GLY 44 CO 0.15 -0.26 -0.19 -1.59 0.00 0.00 0.00 173.10 171.21 3k9x s THR 45 N -3.27 1.57 -0.15 0.90 2.01 0.32 -0.88 115.64 116.15 3k9x s THR 45 Ca 0.15 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 61.08 3k9x s THR 45 Cb -0.05 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 71.09 3k9x s THR 45 CO 0.09 0.45 1.24 -0.63 -0.69 0.00 0.00 174.62 175.08 3k9x s ILE 46 N 0.16 4.29 -0.18 1.82 1.01 0.11 -1.05 121.20 127.36 3k9x s ILE 46 Ca -0.08 1.57 0.18 0.00 0.00 0.00 0.00 60.65 62.33 3k9x s ILE 46 Cb -0.14 -4.01 -0.26 0.00 0.01 0.00 0.00 42.46 38.06 3k9x s ILE 46 CO 0.04 -0.11 0.11 0.18 0.00 0.00 0.00 174.94 175.15 3k9x n LEU 47 N 6.32 0.00 0.00 2.97 4.77 -0.32 -1.07 117.00 129.67 3k9x n LEU 47 Ca 0.13 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.07 3k9x n LEU 47 Cb 0.45 0.45 0.02 0.00 -2.33 0.00 0.00 43.42 42.01 3k9x n LEU 47 CO 0.56 0.45 0.42 -1.54 -1.33 0.00 0.00 177.39 175.95 3k9x n SER 48 N -2.70 -1.35 -0.08 -1.43 3.41 -1.15 -4.73 113.62 105.58 3k9x n SER 48 Ca -0.30 -1.86 0.25 0.00 -0.26 0.00 0.00 58.87 56.70 3k9x n SER 48 Cb 1.10 2.23 0.72 0.00 -0.26 0.00 0.00 64.21 68.00 3k9x n SER 48 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3k9x h GLU 49 N 0.00 0.00 0.00 4.33 3.07 -1.98 -3.18 114.58 116.81 3k9x h GLU 49 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3k9x h GLU 49 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 3k9x h GLU 49 CO 0.26 0.00 -0.36 1.19 -1.40 0.00 0.00 179.01 178.70 3k9x n PHE 50 N -4.19 0.00 -5.13 4.33 3.72 -1.26 -0.59 117.46 114.34 3k9x n PHE 50 Ca 0.14 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.22 3k9x n PHE 50 Cb 0.81 -0.01 -0.15 0.00 -0.94 0.00 0.00 39.48 39.19 3k9x n PHE 50 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 3k9x s TYR 51 N -1.43 2.53 -0.04 1.38 2.02 -1.20 -0.04 117.35 120.57 3k9x s TYR 51 Ca 0.00 -0.54 0.07 0.00 -0.37 0.00 0.00 57.07 56.23 3k9x s TYR 51 Cb 0.01 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.93 3k9x s TYR 51 CO 0.07 -0.10 -0.23 0.42 -1.57 0.00 0.00 175.55 174.14 3k9x s ILE 52 N -0.30 2.27 -0.16 2.71 -1.09 -0.65 -1.18 121.20 122.80 3k9x s ILE 52 Ca 0.01 -1.01 -0.07 0.00 -2.23 0.00 0.00 60.65 57.34 3k9x s ILE 52 Cb -0.13 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.89 3k9x s ILE 52 CO 0.02 0.58 0.08 -0.22 -1.23 0.00 0.00 174.94 174.17 3k9x s LEU 53 N -0.51 3.97 0.00 2.97 2.96 -0.22 -0.72 118.68 127.13 3k9x s LEU 53 Ca 0.07 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 3k9x s LEU 53 Cb -0.11 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.59 3k9x s LEU 53 CO 0.00 0.24 0.14 1.07 -1.32 0.00 0.00 176.35 176.48 3k9x n THR 54 N 3.08 0.00 -3.59 3.68 5.66 -0.18 -0.52 114.28 122.42 3k9x n THR 54 Ca -0.17 -0.62 -0.38 0.00 -3.05 0.00 0.00 64.05 59.83 3k9x n THR 54 Cb 0.53 0.36 -0.06 0.00 -1.55 0.00 0.00 70.33 69.60 3k9x n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3k9x s ALA 55 N -2.09 3.73 0.29 1.79 0.00 -1.26 -1.12 121.76 123.10 3k9x s ALA 55 Ca 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 3k9x s ALA 55 Cb -0.00 -2.30 0.44 0.00 0.00 0.00 0.00 23.12 21.26 3k9x s ALA 55 CO 0.07 0.48 1.93 0.00 0.00 0.00 0.00 175.76 178.24 3k9x h ALA 56 N 4.95 1.43 0.00 0.00 0.00 -1.71 -2.64 119.26 121.29 3k9x h ALA 56 Ca -0.51 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3k9x h ALA 56 Cb 1.22 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3k9x h ALA 56 CO 0.62 0.48 -0.06 1.12 0.00 0.00 0.00 179.25 181.41 3k9x h HIS 57 N 1.14 0.00 -0.09 0.00 2.07 -1.93 -1.57 115.15 114.77 3k9x h HIS 57 Ca 0.36 0.00 0.03 0.00 -2.85 0.00 0.00 60.37 57.91 3k9x h HIS 57 Cb 0.02 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.00 3k9x h HIS 57 CO -0.00 0.06 0.06 0.00 -3.07 0.00 0.00 177.93 174.99 3k9x h LEU 59 N 0.00 0.00 -0.91 0.00 3.38 -1.41 -1.86 115.31 114.51 3k9x h LEU 59 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k9x h LEU 59 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3k9x h LEU 59 CO -0.00 0.17 0.00 -1.22 0.09 0.00 0.00 178.44 177.48 3k9x n TYR 60 N -3.97 0.33 -1.11 1.13 4.01 -1.03 -4.28 117.16 112.24 3k9x n TYR 60 Ca -0.02 -0.17 0.09 0.00 -0.16 0.00 0.00 57.90 57.65 3k9x n TYR 60 Cb 0.26 -0.00 0.16 0.00 -0.31 0.00 0.00 39.34 39.44 3k9x n TYR 60 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3k9x n GLN 61 N 0.22 1.44 -3.61 -0.72 6.02 -0.70 -4.96 117.38 115.08 3k9x n GLN 61 Ca 0.08 -2.66 -0.14 0.00 -0.01 0.00 0.00 57.00 54.27 3k9x n GLN 61 Cb 0.21 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 29.86 3k9x n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k9x s ALA 61 N -2.91 -1.81 0.13 -1.58 0.00 -1.26 -5.05 121.76 109.30 3k9x s ALA 61 Ca 0.33 1.89 -0.07 0.00 0.00 0.00 0.00 51.96 54.11 3k9x s ALA 61 Cb 0.29 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 22.33 3k9x s ALA 61 CO 0.03 -0.33 1.34 -0.22 0.00 0.00 0.00 175.76 176.58 3k9x h LYS 62 N 4.52 0.57 -4.66 0.00 3.64 -1.93 -3.44 116.57 115.27 3k9x h LYS 62 Ca -0.28 -0.50 -0.31 0.00 -1.27 0.00 0.00 60.65 58.29 3k9x h LYS 62 Cb 1.16 0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.87 3k9x h LYS 62 CO 0.12 1.13 -0.75 1.03 -2.27 0.00 0.00 179.45 178.71 3k9x s ARG 63 N -3.57 0.57 0.10 1.90 0.52 -1.26 -5.11 118.95 112.11 3k9x s ARG 63 Ca -0.08 -0.68 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 3k9x s ARG 63 Cb 0.09 -0.42 0.02 0.00 0.52 0.00 0.00 34.95 35.17 3k9x s ARG 63 CO 0.87 0.09 0.33 -0.59 0.02 0.00 0.00 175.30 176.02 3k9x s PHE 64 N -1.11 -0.09 0.42 -0.53 -0.71 -1.26 -3.21 117.98 111.49 3k9x s PHE 64 Ca -0.06 -0.23 0.04 0.00 -1.04 0.00 0.00 56.93 55.63 3k9x s PHE 64 Cb -0.08 0.15 -0.02 0.00 -1.21 0.00 0.00 43.02 41.86 3k9x s PHE 64 CO 0.01 -0.63 0.14 0.15 -1.34 0.00 0.00 175.22 173.54 3k9x s LYS 65 N -3.67 1.98 -0.13 1.99 1.02 -0.62 -4.62 119.74 115.68 3k9x s LYS 65 Ca 0.03 -2.22 0.02 0.00 0.02 0.00 0.00 55.97 53.81 3k9x s LYS 65 Cb 0.02 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.74 3k9x s LYS 65 CO -0.11 -0.51 -0.18 0.08 -0.92 0.00 0.00 175.35 173.71 3k9x s VAL 66 N -3.17 1.76 -0.16 3.17 1.01 -0.20 -1.69 120.40 121.11 3k9x s VAL 66 Ca 0.22 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3k9x s VAL 66 Cb 0.02 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3k9x s VAL 66 CO 0.14 0.49 0.10 -0.60 0.00 0.00 0.00 175.10 175.23 3k9x s ARG 67 N 1.06 3.83 0.26 2.72 3.52 0.60 -0.21 118.95 130.72 3k9x s ARG 67 Ca -0.03 -0.25 0.11 0.00 -0.13 0.00 0.00 55.73 55.43 3k9x s ARG 67 Cb -0.14 -3.24 -0.05 0.00 -1.56 0.00 0.00 34.95 29.95 3k9x s ARG 67 CO -0.05 0.45 -0.18 0.14 -0.81 0.00 0.00 175.30 174.86 3k9x s VAL 68 N -0.11 2.61 0.00 7.11 -7.23 -0.24 -1.45 120.40 121.09 3k9x s VAL 68 Ca 0.09 -2.27 0.00 0.00 -1.81 0.00 0.00 61.98 57.99 3k9x s VAL 68 Cb -0.12 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.47 3k9x s VAL 68 CO 0.01 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 3k9x n GLY 69 N -0.50 0.65 3.73 2.32 0.00 -1.26 -1.42 105.19 108.72 3k9x n GLY 69 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 3k9x n GLY 69 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k9x s ASP 70 N -2.29 6.85 -0.03 1.61 -1.08 -1.26 -4.13 116.67 116.34 3k9x s ASP 70 Ca 0.00 1.02 0.07 0.00 -0.52 0.00 0.00 52.55 53.12 3k9x s ASP 70 Cb 0.00 -2.34 -0.10 0.00 -1.46 0.00 0.00 42.92 39.01 3k9x s ASP 70 CO 0.00 -0.01 0.11 0.54 0.52 0.00 0.00 175.17 176.33 3k9x n ARG 71 N 3.47 1.15 -3.83 4.34 1.74 -1.26 -4.83 116.66 117.45 3k9x n ARG 71 Ca -0.05 -0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.70 3k9x n ARG 71 Cb 0.51 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.62 3k9x n ARG 71 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3k9x s ASN 72 N -3.17 3.29 0.00 0.55 3.04 -1.26 -1.23 114.94 116.16 3k9x s ASN 72 Ca -0.03 -0.96 0.26 0.00 0.04 0.00 0.00 52.86 52.18 3k9x s ASN 72 Cb 0.04 -0.85 1.29 0.00 -1.54 0.00 0.00 41.25 40.18 3k9x s ASN 72 CO 0.29 -0.27 1.88 0.35 -3.04 0.00 0.00 177.10 176.31 3k9x n THR 73 N 4.88 0.17 -1.78 -5.21 -2.24 0.63 -3.53 114.28 107.20 3k9x n THR 73 Ca -0.10 0.04 -0.29 0.00 -2.27 0.00 0.00 64.05 61.43 3k9x n THR 73 Cb 0.46 -0.60 0.04 0.00 -2.10 0.00 0.00 70.33 68.13 3k9x n THR 73 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3k9x n GLU 74 N -1.33 3.21 0.00 -0.78 0.28 -1.26 -4.80 120.64 115.96 3k9x n GLU 74 Ca 0.11 -3.82 0.00 0.00 -0.16 0.00 0.00 57.16 53.29 3k9x n GLU 74 Cb 0.23 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 30.82 3k9x n GLU 74 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3k9x n GLN 75 N -0.77 0.00 -1.49 3.44 7.27 -1.23 -5.14 117.38 119.46 3k9x n GLN 75 Ca 0.51 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 57.15 3k9x n GLN 75 Cb 0.80 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.45 3k9x n GLN 75 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 3k9x n GLU 76 N 0.00 0.72 -0.95 3.69 -0.58 -1.26 -4.78 120.64 117.48 3k9x n GLU 76 Ca 0.00 0.26 -0.03 0.00 -0.42 0.00 0.00 57.16 56.97 3k9x n GLU 76 Cb 0.00 -1.53 -0.03 0.00 -0.57 0.00 0.00 31.44 29.31 3k9x n GLU 76 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3k9x n GLU 77 N 0.68 0.00 -1.97 3.49 4.71 -1.26 -5.13 120.64 121.15 3k9x n GLU 77 Ca 0.12 -0.99 0.00 0.00 -0.01 0.00 0.00 57.16 56.28 3k9x n GLU 77 Cb 0.35 0.19 0.00 0.00 -1.01 0.00 0.00 31.44 30.97 3k9x n GLU 77 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3k9x n GLY 78 N 0.10 -4.77 0.79 0.62 0.00 -1.26 -4.65 105.19 96.03 3k9x n GLY 78 Ca -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3k9x n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9x n GLY 79 N 1.09 3.33 3.77 -0.02 0.00 -1.26 -5.05 105.19 107.05 3k9x n GLY 79 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3k9x n GLY 79 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k9x s GLU 80 N -0.69 3.99 -0.06 1.61 2.02 -1.26 -4.54 118.70 119.78 3k9x s GLU 80 Ca 0.00 1.93 -0.10 0.00 0.02 0.00 0.00 54.97 56.82 3k9x s GLU 80 Cb 0.00 -2.67 0.02 0.00 0.10 0.00 0.00 34.13 31.58 3k9x s GLU 80 CO 0.00 -0.40 0.25 0.00 0.02 0.00 0.00 175.26 175.13 3k9x s ALA 81 N -1.37 -0.63 -0.16 5.21 0.00 -0.51 -5.01 121.76 119.29 3k9x s ALA 81 Ca 0.58 0.49 -0.04 0.00 0.00 0.00 0.00 51.96 52.98 3k9x s ALA 81 Cb -0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 3k9x s ALA 81 CO 0.41 -0.17 -0.03 0.08 0.00 0.00 0.00 175.76 176.05 3k9x s VAL 82 N -0.50 3.89 -0.10 0.00 1.01 -1.26 -1.07 120.40 122.37 3k9x s VAL 82 Ca -0.06 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.58 3k9x s VAL 82 Cb -0.04 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3k9x s VAL 82 CO 0.02 0.48 -0.15 -1.00 0.00 0.00 0.00 175.10 174.45 3k9x s HIS 83 N 0.46 2.75 0.58 5.22 3.76 0.70 -4.96 115.29 123.81 3k9x s HIS 83 Ca -0.03 -0.55 -0.16 0.00 -0.15 0.00 0.00 55.06 54.18 3k9x s HIS 83 Cb -0.14 -1.77 -0.04 0.00 1.11 0.00 0.00 32.58 31.74 3k9x s HIS 83 CO 0.03 -0.12 1.04 -1.21 -0.85 0.00 0.00 174.74 173.63 3k9x s GLU 84 N 0.04 3.43 -0.21 1.40 2.02 -1.26 -1.03 118.70 123.08 3k9x s GLU 84 Ca -0.05 1.15 -0.15 0.00 0.02 0.00 0.00 54.97 55.93 3k9x s GLU 84 Cb -0.15 -2.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.99 3k9x s GLU 84 CO 0.04 -0.72 0.37 0.08 0.02 0.00 0.00 175.26 175.06 3k9x s VAL 85 N -2.51 5.21 -0.17 2.63 1.01 -1.26 -1.29 120.40 124.02 3k9x s VAL 85 Ca 0.62 0.64 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 3k9x s VAL 85 Cb -0.15 -3.70 -0.22 0.00 0.00 0.00 0.00 36.38 32.31 3k9x s VAL 85 CO 0.37 0.25 0.33 -0.08 0.00 0.00 0.00 175.10 175.97 3k9x h GLU 86 N 7.46 0.08 -4.06 2.72 4.57 -1.03 -3.44 114.58 120.89 3k9x h GLU 86 Ca -0.36 -0.14 -0.39 0.00 -1.18 0.00 0.00 59.36 57.29 3k9x h GLU 86 Cb 1.16 0.05 -0.33 0.00 -0.16 0.00 0.00 28.75 29.48 3k9x h GLU 86 CO 0.70 1.07 -0.77 0.08 -1.18 0.00 0.00 179.01 178.92 3k9x s VAL 87 N -2.40 0.48 -0.23 0.32 1.01 -0.89 -4.99 120.40 113.70 3k9x s VAL 87 Ca -0.26 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 61.49 3k9x s VAL 87 Cb 0.05 -0.50 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 3k9x s VAL 87 CO 0.65 0.20 0.19 0.68 0.00 0.00 0.00 175.10 176.82 3k9x s VAL 88 N 0.72 5.34 -0.52 2.92 -7.23 -1.26 -0.52 120.40 119.85 3k9x s VAL 88 Ca -0.09 0.24 0.02 0.00 -1.81 0.00 0.00 61.98 60.34 3k9x s VAL 88 Cb -0.12 -3.53 0.13 0.00 0.56 0.00 0.00 36.38 33.42 3k9x s VAL 88 CO -0.00 0.34 0.28 -0.63 -0.31 0.00 0.00 175.10 174.78 3k9x s ILE 89 N 1.05 2.86 0.22 -0.62 1.01 0.91 -5.01 121.20 121.61 3k9x s ILE 89 Ca 0.09 -3.09 -0.19 0.00 0.00 0.00 0.00 60.65 57.46 3k9x s ILE 89 Cb -0.13 -2.96 -0.08 0.00 0.01 0.00 0.00 42.46 39.29 3k9x s ILE 89 CO 0.05 -0.80 0.71 -0.75 0.00 0.00 0.00 174.94 174.15 3k9x s LYS 90 N -0.07 4.21 0.10 2.79 2.20 -1.26 -0.58 119.74 127.12 3k9x s LYS 90 Ca 0.16 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.28 3k9x s LYS 90 Cb -0.24 -2.85 -0.08 0.00 -1.51 0.00 0.00 37.83 33.15 3k9x s LYS 90 CO -0.02 0.39 1.48 -1.58 -0.36 0.00 0.00 175.35 175.26 3k9x s HIS 91 N -1.55 2.98 -0.08 4.03 5.65 -0.46 -4.85 115.29 121.00 3k9x s HIS 91 Ca 0.43 0.73 0.29 0.00 0.25 0.00 0.00 55.06 56.77 3k9x s HIS 91 Cb -0.16 -3.79 1.35 0.00 -1.18 0.00 0.00 32.58 28.80 3k9x s HIS 91 CO 0.21 -2.92 1.88 -2.95 -0.65 0.00 0.00 174.74 170.31 3k9x h ASN 92 N 7.25 0.00 -0.09 9.88 -1.07 -1.93 -1.93 115.58 127.69 3k9x h ASN 92 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.95 3k9x h ASN 92 Cb 1.20 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 3k9x h ASN 92 CO 0.89 0.00 0.00 0.54 0.07 0.00 0.00 177.43 178.93 3k9x n ARG 93 N -2.63 2.06 -1.52 4.14 1.74 -1.26 -4.94 116.66 114.25 3k9x n ARG 93 Ca 0.00 -1.55 -0.59 0.00 -0.77 0.00 0.00 57.85 54.94 3k9x n ARG 93 Cb 0.20 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 3k9x n ARG 93 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3k9x n PHE 94 N 0.85 1.23 -3.90 -1.55 7.35 -0.73 -4.67 117.46 116.04 3k9x n PHE 94 Ca 0.17 1.02 -0.35 0.00 -0.76 0.00 0.00 57.45 57.53 3k9x n PHE 94 Cb 0.49 -2.00 -0.13 0.00 0.35 0.00 0.00 39.48 38.18 3k9x n PHE 94 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3k9x s THR 95 N 1.73 2.94 0.37 -2.13 2.01 -0.59 -5.00 115.64 114.96 3k9x s THR 95 Ca 0.92 -1.60 0.08 0.00 0.31 0.00 0.00 61.69 61.40 3k9x s THR 95 Cb -1.30 -2.79 0.31 0.00 0.01 0.00 0.00 72.50 68.74 3k9x s THR 95 CO 0.67 -0.25 1.94 0.11 -0.69 0.00 0.00 174.62 176.40 3k9x h LYS 96 N 7.96 0.65 0.00 4.92 1.57 -1.91 0.26 116.57 130.03 3k9x h LYS 96 Ca -0.18 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 3k9x h LYS 96 Cb 1.05 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 3k9x h LYS 96 CO 0.56 0.43 -0.51 0.93 -0.57 0.00 0.00 179.45 180.29 3k9x h GLU 97 N 0.67 0.00 0.00 3.15 3.07 -1.98 -3.36 114.58 116.14 3k9x h GLU 97 Ca 0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.21 3k9x h GLU 97 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3k9x h GLU 97 CO -0.13 0.51 -0.29 0.25 -1.40 0.00 0.00 179.01 177.95 3k9x n THR 98 N -3.50 0.00 -2.05 1.13 -2.24 -1.04 -5.00 114.28 101.57 3k9x n THR 98 Ca 0.00 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.26 3k9x n THR 98 Cb 0.62 0.84 -0.04 0.00 -2.10 0.00 0.00 70.33 69.64 3k9x n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3k9x n TYR 99 N -1.08 -0.63 -1.96 4.78 4.02 0.90 -4.96 117.16 118.23 3k9x n TYR 99 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.51 3k9x n TYR 99 Cb 0.00 -3.64 0.02 0.00 -0.02 0.00 0.00 39.34 35.69 3k9x n TYR 99 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3k9x s ASP 100 N -2.32 5.81 -1.18 7.72 2.15 -1.21 -3.09 116.67 124.54 3k9x s ASP 100 Ca 0.00 2.65 -0.07 0.00 0.43 0.00 0.00 52.55 55.56 3k9x s ASP 100 Cb 0.00 -2.63 0.01 0.00 -0.30 0.00 0.00 42.92 40.00 3k9x s ASP 100 CO 0.00 -1.19 1.03 0.49 -0.17 0.00 0.00 175.17 175.33 3k9x n PHE 101 N -0.52 -2.48 -2.77 -5.34 3.01 -1.26 -1.55 117.46 106.56 3k9x n PHE 101 Ca 0.07 0.89 -0.44 0.00 1.01 0.00 0.00 57.45 58.99 3k9x n PHE 101 Cb 0.45 -4.60 0.00 0.00 -0.01 0.00 0.00 39.48 35.31 3k9x n PHE 101 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3k9x n ASP 102 N -2.55 5.09 -3.72 4.37 4.64 -1.18 -3.97 116.55 119.23 3k9x n ASP 102 Ca -0.03 -2.95 -0.12 0.00 -1.38 0.00 0.00 54.79 50.31 3k9x n ASP 102 Cb 0.57 -1.65 -0.11 0.00 -1.04 0.00 0.00 41.12 38.89 3k9x n ASP 102 CO 0.00 0.00 0.00 -0.51 -0.82 0.00 0.00 177.20 175.87 3k9x s ILE 103 N 2.77 -0.01 0.04 5.18 2.07 -1.26 -4.02 121.20 125.96 3k9x s ILE 103 Ca 0.48 0.04 -0.06 0.00 -1.41 0.00 0.00 60.65 59.71 3k9x s ILE 103 Cb 0.00 -0.55 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 3k9x s ILE 103 CO 0.04 0.02 0.10 0.00 -1.91 0.00 0.00 174.94 173.19 3k9x s ALA 104 N 0.70 -0.10 -0.02 1.50 0.00 -0.27 -1.36 121.76 122.21 3k9x s ALA 104 Ca -0.04 -0.51 0.08 0.00 0.00 0.00 0.00 51.96 51.49 3k9x s ALA 104 Cb -0.05 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 3k9x s ALA 104 CO -0.05 -0.31 -0.25 0.08 0.00 0.00 0.00 175.76 175.22 3k9x s VAL 105 N -2.53 2.09 -0.19 0.00 1.01 0.25 -1.01 120.40 120.03 3k9x s VAL 105 Ca -0.06 -1.09 -0.04 0.00 0.00 0.00 0.00 61.98 60.79 3k9x s VAL 105 Cb -0.02 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 3k9x s VAL 105 CO -0.04 0.58 -0.03 -0.76 0.00 0.00 0.00 175.10 174.85 3k9x s LEU 106 N -0.59 3.12 -0.13 3.92 1.43 0.10 -0.06 118.68 126.46 3k9x s LEU 106 Ca 0.09 -0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 3k9x s LEU 106 Cb -0.10 -1.78 -0.05 0.00 0.03 0.00 0.00 46.19 44.29 3k9x s LEU 106 CO -0.01 0.07 0.36 -0.60 0.23 0.00 0.00 176.35 176.40 3k9x s ARG 107 N 0.97 4.24 0.15 1.70 3.52 0.32 -1.64 118.95 128.21 3k9x s ARG 107 Ca 0.01 0.23 -0.16 0.00 -0.13 0.00 0.00 55.73 55.68 3k9x s ARG 107 Cb -0.14 -3.41 -0.07 0.00 -1.56 0.00 0.00 34.95 29.77 3k9x s ARG 107 CO 0.01 0.26 0.58 -0.51 -0.81 0.00 0.00 175.30 174.83 3k9x s LEU 108 N 0.35 4.36 0.21 -0.88 1.43 0.95 -0.47 118.68 124.63 3k9x s LEU 108 Ca 0.20 1.15 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 3k9x s LEU 108 Cb -0.14 -3.26 0.27 0.00 0.03 0.00 0.00 46.19 43.09 3k9x s LEU 108 CO 0.07 0.11 1.75 0.11 0.23 0.00 0.00 176.35 178.63 3k9x h LYS 109 N 3.66 0.44 -5.75 1.70 1.57 -1.48 -3.42 116.57 113.29 3k9x h LYS 109 Ca -0.49 -0.03 -0.49 0.00 -1.87 0.00 0.00 60.65 57.78 3k9x h LYS 109 Cb 1.20 -0.10 -0.22 0.00 0.08 0.00 0.00 32.23 33.19 3k9x h LYS 109 CO 0.65 0.29 -0.80 0.95 -0.57 0.00 0.00 179.45 179.97 3k9x s THR 110 N -6.09 1.41 0.43 -0.16 -4.23 -1.26 -5.01 115.64 100.72 3k9x s THR 110 Ca -0.13 -1.41 -0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3k9x s THR 110 Cb 0.17 -1.31 -0.08 0.00 1.34 0.00 0.00 72.50 72.61 3k9x s THR 110 CO 0.75 -0.14 1.08 -2.16 -0.54 0.00 0.00 174.62 173.61 3k9x s PRO 111 N -1.80 4.00 0.11 3.99 0.04 -1.26 -4.91 135.00 135.16 3k9x s PRO 111 Ca 0.02 1.56 -0.31 0.00 0.04 0.00 0.00 61.00 62.32 3k9x s PRO 111 Cb -0.10 -2.44 -0.07 0.00 0.04 0.00 0.00 34.50 31.94 3k9x s PRO 111 CO 0.03 -0.30 1.24 0.42 0.04 0.00 0.00 177.00 178.43 3k9x s ILE 112 N -1.68 3.74 -0.23 0.56 1.01 0.25 -5.03 121.20 119.83 3k9x s ILE 112 Ca 0.61 1.31 -0.13 0.00 0.00 0.00 0.00 60.65 62.44 3k9x s ILE 112 Cb -0.23 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 3k9x s ILE 112 CO 0.28 0.14 0.26 -0.89 0.00 0.00 0.00 174.94 174.73 3k9x s THR 113 N 0.72 5.29 0.40 2.92 2.01 -1.26 -4.70 115.64 121.02 3k9x s THR 113 Ca 0.58 0.40 -0.25 0.00 0.31 0.00 0.00 61.69 62.73 3k9x s THR 113 Cb -0.32 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 3k9x s THR 113 CO 0.32 0.30 1.15 -0.36 -0.69 0.00 0.00 174.62 175.33 3k9x s PHE 114 N 1.20 3.12 0.15 4.92 0.08 -1.26 -4.95 117.98 121.24 3k9x s PHE 114 Ca 0.12 1.58 -0.09 0.00 0.12 0.00 0.00 56.93 58.66 3k9x s PHE 114 Cb -0.14 -3.34 0.03 0.00 -0.57 0.00 0.00 43.02 39.00 3k9x s PHE 114 CO 0.06 -1.17 0.44 2.89 -0.10 0.00 0.00 175.22 177.34 3k9x n ARG 115 N 0.09 0.47 -1.62 0.44 1.85 -0.49 -5.00 116.66 112.40 3k9x n ARG 115 Ca 0.04 -0.96 -0.51 0.00 -1.00 0.00 0.00 57.85 55.42 3k9x n ARG 115 Cb 0.47 1.22 -0.06 0.00 -1.05 0.00 0.00 32.46 33.05 3k9x n ARG 115 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 3k9x n MET 116 N -0.30 1.41 -0.96 2.89 0.00 -1.26 -0.34 117.12 118.56 3k9x n MET 116 Ca -0.03 0.51 0.00 0.00 -0.00 0.00 0.00 57.70 58.18 3k9x n MET 116 Cb 0.29 -2.19 0.00 0.00 0.00 0.00 0.00 33.22 31.32 3k9x n MET 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3k9x n ASN 117 N 3.17 -2.80 -3.48 6.12 3.02 -1.26 -4.96 115.26 115.06 3k9x n ASN 117 Ca 0.19 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.51 3k9x n ASN 117 Cb 0.21 -1.22 -0.13 0.00 -0.61 0.00 0.00 39.78 38.03 3k9x n ASN 117 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k9x s VAL 118 N -2.09 -0.22 0.09 2.41 1.01 0.53 -4.13 120.40 118.00 3k9x s VAL 118 Ca 0.00 -0.59 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 3k9x s VAL 118 Cb 0.00 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 35.48 3k9x s VAL 118 CO 0.00 -0.58 0.47 0.00 0.00 0.00 0.00 175.10 174.99 3k9x s ALA 119 N 2.22 -1.16 0.37 5.51 0.00 -0.76 -1.39 121.76 126.55 3k9x s ALA 119 Ca 0.09 0.30 -0.19 0.00 0.00 0.00 0.00 51.96 52.16 3k9x s ALA 119 Cb -0.15 0.54 -0.10 0.00 0.00 0.00 0.00 23.12 23.41 3k9x s ALA 119 CO -0.33 -0.58 0.85 -1.25 0.00 0.00 0.00 175.76 174.45 3k9x s PRO 120 N -3.08 4.15 0.43 0.00 0.04 -1.26 -2.60 135.00 132.68 3k9x s PRO 120 Ca -0.02 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 61.80 3k9x s PRO 120 Cb 0.00 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 3k9x s PRO 120 CO -0.07 0.08 0.86 0.00 0.04 0.00 0.00 177.00 177.92 3k9x s ALA 121 N -2.04 3.20 0.18 8.56 0.00 -0.23 -4.88 121.76 126.55 3k9x s ALA 121 Ca 0.57 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 3k9x s ALA 121 Cb -0.10 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 3k9x s ALA 121 CO 0.16 -0.02 0.99 0.00 0.00 0.00 0.00 175.76 176.89 3k9x s LEU 123 N -0.60 4.23 0.61 0.00 1.43 -1.26 -0.65 118.68 122.44 3k9x s LEU 123 Ca 0.45 1.13 -0.08 0.00 -1.03 0.00 0.00 54.13 54.60 3k9x s LEU 123 Cb -0.26 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 3k9x s LEU 123 CO 0.32 -0.26 0.96 -2.16 0.23 0.00 0.00 176.35 175.44 3k9x s PRO 124 N 1.56 3.13 0.35 1.29 0.04 -1.26 -4.98 135.00 135.14 3k9x s PRO 124 Ca 0.37 0.30 -0.27 0.00 0.04 0.00 0.00 61.00 61.44 3k9x s PRO 124 Cb -0.17 -2.18 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 3k9x s PRO 124 CO 0.15 -0.69 1.11 -1.21 0.04 0.00 0.00 177.00 176.40 3k9x s GLU 124 N -5.09 4.32 0.09 4.56 2.02 -1.26 -4.94 118.70 118.40 3k9x s GLU 124 Ca 0.54 1.74 -0.28 0.00 0.02 0.00 0.00 54.97 56.99 3k9x s GLU 124 Cb -0.11 -2.84 -0.15 0.00 0.10 0.00 0.00 34.13 31.14 3k9x s GLU 124 CO 0.49 -0.06 1.67 -0.09 0.02 0.00 0.00 175.26 177.29 3k9x h ARG 125 N 3.06 -0.43 -0.50 1.61 2.43 -1.97 -0.51 114.38 118.06 3k9x h ARG 125 Ca -0.48 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.71 3k9x h ARG 125 Cb 1.22 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.84 3k9x h ARG 125 CO 0.64 -0.29 0.26 -0.44 -1.51 0.00 0.00 179.97 178.63 3k9x h ASP 126 N -0.45 0.64 -0.56 -3.80 3.32 -1.96 0.18 116.42 113.79 3k9x h ASP 126 Ca -0.02 -0.11 0.02 0.00 0.02 0.00 0.00 57.03 56.94 3k9x h ASP 126 Cb 0.38 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3k9x h ASP 126 CO 0.02 0.57 0.34 -0.25 -1.72 0.00 0.00 179.24 178.20 3k9x h TRP 127 N 0.67 0.64 -0.29 4.55 7.01 -1.97 -1.39 115.95 125.16 3k9x h TRP 127 Ca 0.18 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.18 3k9x h TRP 127 Cb 0.08 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 26.92 3k9x h TRP 127 CO -0.01 0.37 0.12 0.00 -2.79 0.00 0.00 178.44 176.13 3k9x h ALA 128 N 1.24 0.38 -0.83 2.65 0.00 -0.25 0.14 119.26 122.60 3k9x h ALA 128 Ca 0.22 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3k9x h ALA 128 Cb 0.01 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3k9x h ALA 128 CO -0.09 -0.03 0.51 0.93 0.00 0.00 0.00 179.25 180.57 3k9x h GLU 129 N 0.33 0.92 0.00 0.00 5.08 -0.41 -0.96 114.58 119.54 3k9x h GLU 129 Ca 0.10 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.27 3k9x h GLU 129 Cb 0.17 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 3k9x h GLU 129 CO -0.01 0.61 -0.93 0.66 -1.00 0.00 0.00 179.01 178.34 3k9x h SER 130 N 0.95 0.00 0.00 1.42 4.64 -0.88 -3.36 113.55 116.31 3k9x h SER 130 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3k9x h SER 130 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3k9x h SER 130 CO -0.16 0.54 -0.96 0.41 -0.87 0.00 0.00 176.83 175.80 3k9x n THR 131 N -3.07 0.00 -0.13 2.95 -1.04 0.46 -4.51 114.28 108.94 3k9x n THR 131 Ca -0.03 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.73 3k9x n THR 131 Cb 0.79 -0.26 -0.11 0.00 -1.82 0.00 0.00 70.33 68.93 3k9x n THR 131 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3k9x n LEU 131 N -1.69 2.36 0.00 -4.42 4.77 -0.68 -4.34 117.00 112.99 3k9x n LEU 131 Ca 0.00 0.16 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3k9x n LEU 131 Cb 0.25 -0.87 0.47 0.00 -2.33 0.00 0.00 43.42 40.94 3k9x n LEU 131 CO 0.00 0.71 0.81 0.23 -1.33 0.00 0.00 177.39 177.81 3k9x n MET 131 N -3.86 0.18 0.00 3.23 2.81 -0.45 -1.74 117.12 117.28 3k9x n MET 131 Ca -0.50 0.12 0.12 0.00 -1.81 0.00 0.00 57.70 55.63 3k9x n MET 131 Cb 0.92 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 32.02 3k9x n MET 131 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 3k9x n THR 132 N -1.37 0.00 -1.02 2.03 -2.24 -1.26 -4.95 114.28 105.48 3k9x n THR 132 Ca 0.08 -0.30 -0.30 0.00 -2.27 0.00 0.00 64.05 61.26 3k9x n THR 132 Cb 0.19 1.20 0.16 0.00 -2.10 0.00 0.00 70.33 69.78 3k9x n THR 132 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3k9x s GLN 133 N -2.34 0.77 0.17 -0.78 -1.52 -0.71 -4.97 119.66 110.28 3k9x s GLN 133 Ca 0.22 0.90 -0.05 0.00 -1.95 0.00 0.00 55.36 54.48 3k9x s GLN 133 Cb 0.19 -1.75 0.03 0.00 -0.22 0.00 0.00 33.01 31.27 3k9x s GLN 133 CO 0.49 -2.59 1.44 0.87 -0.25 0.00 0.00 175.29 175.25 3k9x h LYS 134 N -1.81 0.56 -4.07 2.91 6.56 -1.92 -3.43 116.57 115.37 3k9x h LYS 134 Ca -0.51 -0.41 -0.13 0.00 -1.06 0.00 0.00 60.65 58.54 3k9x h LYS 134 Cb 1.29 0.07 -0.13 0.00 -0.57 0.00 0.00 32.23 32.89 3k9x h LYS 134 CO 0.52 1.03 -0.41 0.95 -2.06 0.00 0.00 179.45 179.48 3k9x s THR 135 N -3.82 0.05 0.35 -0.16 -4.23 -1.26 -0.96 115.64 105.61 3k9x s THR 135 Ca -0.07 -1.59 0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3k9x s THR 135 Cb 0.10 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.89 3k9x s THR 135 CO 0.85 -0.25 0.24 -0.83 -0.54 0.00 0.00 174.62 174.10 3k9x s GLY 136 N -3.02 2.43 -0.07 3.99 0.00 -0.58 -4.72 107.32 105.35 3k9x s GLY 136 Ca 0.23 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 43.16 3k9x s GLY 136 CO 0.03 -1.57 -0.16 -0.42 0.00 0.00 0.00 173.10 170.98 3k9x s ILE 137 N -3.38 1.41 0.03 0.90 1.09 0.70 -0.94 121.20 121.02 3k9x s ILE 137 Ca 0.36 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 59.30 3k9x s ILE 137 Cb 0.02 -1.25 -0.04 0.00 -1.06 0.00 0.00 42.46 40.14 3k9x s ILE 137 CO 0.24 0.41 -0.07 0.54 -0.10 0.00 0.00 174.94 175.96 3k9x s VAL 138 N 0.47 3.60 0.07 2.92 0.11 -0.03 -0.83 120.40 126.72 3k9x s VAL 138 Ca -0.14 -0.89 -0.01 0.00 -2.93 0.00 0.00 61.98 58.02 3k9x s VAL 138 Cb -0.16 -2.60 -0.04 0.00 -1.53 0.00 0.00 36.38 32.06 3k9x s VAL 138 CO 0.05 0.32 -0.01 -0.94 -3.33 0.00 0.00 175.10 171.19 3k9x s SER 139 N -1.63 0.50 0.00 3.54 1.04 -1.06 -0.46 113.70 115.63 3k9x s SER 139 Ca 0.18 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.56 3k9x s SER 139 Cb -0.11 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3k9x s SER 139 CO 0.09 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.30 3k9x n GLY 140 N 0.05 -2.07 0.97 7.32 0.00 -0.63 -4.32 105.19 106.51 3k9x n GLY 140 Ca -0.12 -1.20 0.08 0.00 0.00 0.00 0.00 46.02 44.78 3k9x n GLY 140 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3k9x n PHE 141 N 1.76 0.90 -0.76 1.61 3.72 -1.26 -2.03 117.46 121.40 3k9x n PHE 141 Ca 0.00 -0.67 -0.08 0.00 -0.05 0.00 0.00 57.45 56.65 3k9x n PHE 141 Cb 0.00 -0.19 0.06 0.00 -0.94 0.00 0.00 39.48 38.41 3k9x n PHE 141 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k9x n GLY 142 N 0.27 -2.27 3.76 1.37 0.00 -1.26 -1.90 105.19 105.16 3k9x n GLY 142 Ca 0.19 -1.50 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 3k9x n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k9x s ARG 143 N -3.67 3.45 0.00 1.61 0.52 -0.42 -2.25 118.95 118.20 3k9x s ARG 143 Ca 0.19 2.13 0.24 0.00 -0.52 0.00 0.00 55.73 57.76 3k9x s ARG 143 Cb -0.02 -2.40 0.46 0.00 0.52 0.00 0.00 34.95 33.52 3k9x s ARG 143 CO 0.14 -0.91 1.41 0.25 0.02 0.00 0.00 175.30 176.21 3k9x n THR 144 N -0.67 0.22 -3.60 0.02 -2.24 -1.06 -0.65 114.28 106.30 3k9x n THR 144 Ca 0.08 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 3k9x n THR 144 Cb 0.45 1.03 -0.06 0.00 -2.10 0.00 0.00 70.33 69.65 3k9x n THR 144 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3k9x s HIS 145 N -1.78 -0.58 0.26 4.78 5.65 -1.26 -4.35 115.29 118.01 3k9x s HIS 145 Ca 0.34 1.25 -0.01 0.00 0.25 0.00 0.00 55.06 56.89 3k9x s HIS 145 Cb 0.21 0.37 0.55 0.00 -1.18 0.00 0.00 32.58 32.52 3k9x s HIS 145 CO 0.31 -0.38 1.74 1.49 -0.65 0.00 0.00 174.74 177.24 3k9x h GLU 147 N 3.80 0.49 -0.67 2.88 4.81 -1.89 0.09 114.58 124.10 3k9x h GLU 147 Ca -0.26 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3k9x h GLU 147 Cb 1.16 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.43 3k9x h GLU 147 CO 0.20 0.33 0.00 1.63 -0.73 0.00 0.00 179.01 180.43 3k9x n LYS 148 N -4.96 3.40 0.00 1.92 5.02 -1.26 -4.94 118.16 117.34 3k9x n LYS 148 Ca 0.17 -2.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.77 3k9x n LYS 148 Cb 0.47 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3k9x n LYS 148 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k9x n GLY 149 N 1.23 3.29 3.33 0.72 0.00 0.02 -5.15 105.19 108.63 3k9x n GLY 149 Ca 0.24 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.18 3k9x n GLY 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k9x s ARG 150 N 3.09 1.28 0.30 1.61 3.00 -1.26 -4.88 118.95 122.09 3k9x s ARG 150 Ca 0.00 -1.45 -0.27 0.00 0.00 0.00 0.00 55.73 54.01 3k9x s ARG 150 Cb 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 34.95 33.56 3k9x s ARG 150 CO 0.00 0.24 0.92 1.04 0.00 0.00 0.00 175.30 177.50 3k9x n GLN 151 N 0.11 1.14 -2.39 3.54 6.02 -1.26 -2.56 117.38 121.99 3k9x n GLN 151 Ca -0.12 0.40 -0.40 0.00 -0.01 0.00 0.00 57.00 56.87 3k9x n GLN 151 Cb 0.58 -1.74 -0.04 0.00 1.02 0.00 0.00 30.24 30.06 3k9x n GLN 151 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k9x s SER 152 N -0.65 7.11 0.00 1.08 0.15 -0.80 -4.88 113.70 115.71 3k9x s SER 152 Ca 0.60 2.36 0.29 0.00 0.70 0.00 0.00 55.95 59.90 3k9x s SER 152 Cb -0.71 -2.63 1.22 0.00 -1.71 0.00 0.00 66.02 62.19 3k9x s SER 152 CO 0.59 -0.27 1.84 0.35 1.20 0.00 0.00 173.24 176.96 3k9x n THR 153 N 1.01 0.00 -5.22 6.45 -2.24 -1.26 -4.77 114.28 108.25 3k9x n THR 153 Ca -0.00 -0.15 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 3k9x n THR 153 Cb 0.44 0.19 -0.16 0.00 -2.10 0.00 0.00 70.33 68.70 3k9x n THR 153 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3k9x s ARG 154 N -2.14 2.56 0.13 -0.78 1.81 -1.26 -0.27 118.95 119.00 3k9x s ARG 154 Ca 0.37 -0.88 -0.31 0.00 -1.72 0.00 0.00 55.73 53.18 3k9x s ARG 154 Cb 0.21 -2.19 -0.09 0.00 -0.45 0.00 0.00 34.95 32.42 3k9x s ARG 154 CO 0.39 0.40 1.51 -1.17 -0.68 0.00 0.00 175.30 175.75 3k9x s LEU 155 N -0.21 4.37 0.28 2.53 2.96 -0.37 -4.71 118.68 123.53 3k9x s LEU 155 Ca -0.02 2.49 0.10 0.00 -0.22 0.00 0.00 54.13 56.48 3k9x s LEU 155 Cb -0.13 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 3k9x s LEU 155 CO 0.03 -0.77 -0.15 -0.54 -1.32 0.00 0.00 176.35 173.60 3k9x s LYS 156 N 1.30 1.64 0.13 1.98 1.02 -0.86 -1.05 119.74 123.90 3k9x s LYS 156 Ca 0.68 -1.78 0.02 0.00 0.02 0.00 0.00 55.97 54.91 3k9x s LYS 156 Cb -0.41 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 3k9x s LYS 156 CO 0.31 0.23 -0.04 0.00 -0.92 0.00 0.00 175.35 174.93 3k9x s MET 157 N -3.58 0.96 -0.18 1.68 0.23 0.07 -1.60 119.30 116.89 3k9x s MET 157 Ca 0.29 -1.42 -0.11 0.00 -1.03 0.00 0.00 55.69 53.42 3k9x s MET 157 Cb -0.02 -0.27 0.06 0.00 -1.53 0.00 0.00 34.83 33.07 3k9x s MET 157 CO 0.14 -0.05 0.44 -1.17 -2.03 0.00 0.00 175.02 172.34 3k9x s LEU 158 N -3.11 -0.05 -0.14 0.18 2.96 0.39 -1.66 118.68 117.26 3k9x s LEU 158 Ca 0.17 0.94 -0.29 0.00 -0.22 0.00 0.00 54.13 54.73 3k9x s LEU 158 Cb 0.05 1.47 -0.01 0.00 0.50 0.00 0.00 46.19 48.21 3k9x s LEU 158 CO -0.01 -0.19 0.98 -0.70 -1.32 0.00 0.00 176.35 175.11 3k9x s GLU 159 N 1.10 4.37 -0.12 1.98 2.12 -1.26 -0.85 118.70 126.04 3k9x s GLU 159 Ca -0.07 1.32 0.02 0.00 0.36 0.00 0.00 54.97 56.59 3k9x s GLU 159 Cb -0.07 -3.56 0.02 0.00 0.26 0.00 0.00 34.13 30.78 3k9x s GLU 159 CO -0.10 -0.36 -0.16 0.14 -0.54 0.00 0.00 175.26 174.24 3k9x s VAL 160 N 2.21 1.62 0.33 3.70 -7.23 -0.11 -4.99 120.40 115.93 3k9x s VAL 160 Ca 0.46 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.63 3k9x s VAL 160 Cb -0.17 -1.48 -0.10 0.00 0.56 0.00 0.00 36.38 35.19 3k9x s VAL 160 CO 0.15 0.47 1.38 -2.84 -0.31 0.00 0.00 175.10 173.94 3k9x s PRO 161 N 1.04 4.28 0.52 4.82 0.02 -1.26 -1.53 135.00 142.89 3k9x s PRO 161 Ca -0.05 2.32 -0.22 0.00 0.02 0.00 0.00 61.00 63.08 3k9x s PRO 161 Cb -0.15 -3.05 -0.06 0.00 0.02 0.00 0.00 34.50 31.27 3k9x s PRO 161 CO -0.03 -0.32 1.30 0.71 -0.33 0.00 0.00 177.00 178.33 3k9x s TYR 162 N -0.91 2.46 -0.06 6.54 2.02 -0.14 -0.78 117.35 126.48 3k9x s TYR 162 Ca 0.52 1.42 0.06 0.00 -0.37 0.00 0.00 57.07 58.70 3k9x s TYR 162 Cb -0.42 -3.68 -0.01 0.00 -0.40 0.00 0.00 41.96 37.45 3k9x s TYR 162 CO 0.54 -2.49 -0.25 0.08 -1.57 0.00 0.00 175.55 171.86 3k9x s VAL 163 N -1.37 2.11 0.64 0.71 1.01 -0.89 -4.88 120.40 117.72 3k9x s VAL 163 Ca 0.69 -1.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3k9x s VAL 163 Cb -0.37 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3k9x s VAL 163 CO 0.44 0.57 1.14 1.51 0.00 0.00 0.00 175.10 178.76 3k9x s ASP 164 N -0.19 5.11 0.38 3.32 1.47 -1.26 -4.43 116.67 121.07 3k9x s ASP 164 Ca -0.03 2.15 0.05 0.00 1.18 0.00 0.00 52.55 55.90 3k9x s ASP 164 Cb -0.14 -2.57 0.74 0.00 -0.34 0.00 0.00 42.92 40.61 3k9x s ASP 164 CO 0.03 -1.63 1.99 -0.09 0.68 0.00 0.00 175.17 176.15 3k9x h ARG 165 N 0.36 0.57 0.04 2.11 2.43 -1.99 -1.02 114.38 116.88 3k9x h ARG 165 Ca -0.48 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 58.62 3k9x h ARG 165 Cb 1.26 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3k9x h ARG 165 CO 0.54 0.45 -0.02 -0.91 -1.51 0.00 0.00 179.97 178.52 3k9x h ASN 166 N 0.57 -0.05 -1.00 -3.80 2.35 -2.00 -1.39 115.58 110.27 3k9x h ASN 166 Ca 0.14 -0.36 0.13 0.00 -0.55 0.00 0.00 56.30 55.67 3k9x h ASN 166 Cb 0.08 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.37 3k9x h ASN 166 CO -0.02 0.34 0.62 0.28 -1.65 0.00 0.00 177.43 177.01 3k9x h SER 167 N -0.45 0.89 0.22 5.81 0.02 -1.81 -1.11 113.55 117.12 3k9x h SER 167 Ca -0.01 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3k9x h SER 167 Cb 0.41 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.83 3k9x h SER 167 CO 0.01 0.45 -0.10 0.00 -1.14 0.00 0.00 176.83 176.04 3k9x h LYS 169 N -0.43 0.53 -0.20 0.00 1.57 -1.04 -2.15 116.57 114.84 3k9x h LYS 169 Ca -0.03 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 3k9x h LYS 169 Cb 0.33 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3k9x h LYS 169 CO 0.05 0.35 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.15 3k9x h LEU 170 N 0.54 0.28 -1.22 2.94 3.38 -1.08 -2.54 115.31 117.62 3k9x h LEU 170 Ca 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3k9x h LEU 170 Cb 0.03 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3k9x h LEU 170 CO -0.09 0.38 0.00 0.77 0.09 0.00 0.00 178.44 179.58 3k9x h SER 171 N 0.29 0.00 -3.05 -0.43 4.64 -0.45 -3.46 113.55 111.09 3k9x h SER 171 Ca 0.06 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.71 3k9x h SER 171 Cb 0.29 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.26 3k9x h SER 171 CO 0.01 0.00 -0.56 -0.55 -0.87 0.00 0.00 176.83 174.86 3k9x s SER 172 N -5.31 5.73 0.13 4.97 0.15 -0.96 -4.79 113.70 113.62 3k9x s SER 172 Ca 0.02 0.27 0.22 0.00 0.70 0.00 0.00 55.95 57.16 3k9x s SER 172 Cb 0.09 -1.76 0.89 0.00 -1.71 0.00 0.00 66.02 63.53 3k9x s SER 172 CO 0.51 0.37 1.69 -1.20 1.20 0.00 0.00 173.24 175.81 3k9x n SER 173 N 2.21 0.39 -4.30 5.45 7.64 -1.26 -4.87 113.62 118.88 3k9x n SER 173 Ca -0.19 0.57 -0.19 0.00 1.01 0.00 0.00 58.87 60.07 3k9x n SER 173 Cb 0.54 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.97 3k9x n SER 173 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3k9x s PHE 174 N -3.13 1.62 0.27 1.43 0.08 -1.26 -5.10 117.98 111.90 3k9x s PHE 174 Ca 0.08 -0.54 -0.31 0.00 0.12 0.00 0.00 56.93 56.29 3k9x s PHE 174 Cb 0.12 -0.81 -0.12 0.00 -0.57 0.00 0.00 43.02 41.64 3k9x s PHE 174 CO 0.42 0.26 1.63 -0.89 -0.10 0.00 0.00 175.22 176.54 3k9x n ILE 175 N 0.21 0.75 -3.51 0.64 2.08 -1.26 -4.96 119.36 113.31 3k9x n ILE 175 Ca -0.13 -0.19 -0.42 0.00 0.56 0.00 0.00 62.75 62.57 3k9x n ILE 175 Cb 0.58 -1.96 -0.09 0.00 -0.75 0.00 0.00 39.64 37.42 3k9x n ILE 175 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3k9x s ILE 176 N 0.30 4.75 0.83 1.39 -1.09 -1.26 -5.05 121.20 121.08 3k9x s ILE 176 Ca 0.67 -1.13 -0.12 0.00 -2.23 0.00 0.00 60.65 57.84 3k9x s ILE 176 Cb -0.50 -3.82 0.10 0.00 -1.58 0.00 0.00 42.46 36.66 3k9x s ILE 176 CO 0.44 -0.48 1.19 0.42 -1.23 0.00 0.00 174.94 175.29 3k9x s THR 177 N 1.55 2.03 -1.01 2.92 -4.23 -1.26 -4.92 115.64 110.71 3k9x s THR 177 Ca 0.03 -0.04 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 3k9x s THR 177 Cb -0.23 -2.99 0.11 0.00 1.34 0.00 0.00 72.50 70.73 3k9x s THR 177 CO 0.05 0.00 1.42 0.00 -0.54 0.00 0.00 174.62 175.56 3k9x n GLN 178 N -3.37 0.00 -0.38 3.99 10.64 -1.26 -1.61 117.38 125.39 3k9x n GLN 178 Ca 0.10 0.27 0.06 0.00 -1.83 0.00 0.00 57.00 55.59 3k9x n GLN 178 Cb 0.61 -1.50 0.22 0.00 -0.86 0.00 0.00 30.24 28.70 3k9x n GLN 178 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3k9x n ASN 179 N -1.50 3.11 -4.22 2.61 3.02 -1.26 -4.88 115.26 112.13 3k9x n ASN 179 Ca 0.03 -2.28 -0.13 0.00 -0.03 0.00 0.00 54.58 52.17 3k9x n ASN 179 Cb 0.15 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 38.77 3k9x n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3k9x s MET 180 N -1.74 1.03 0.12 3.52 -1.94 -0.64 -0.77 119.30 118.88 3k9x s MET 180 Ca 0.31 -1.47 -0.12 0.00 -1.71 0.00 0.00 55.69 52.71 3k9x s MET 180 Cb 0.20 -0.30 0.01 0.00 2.01 0.00 0.00 34.83 36.75 3k9x s MET 180 CO 0.15 -0.07 0.30 -0.59 -0.01 0.00 0.00 175.02 174.79 3k9x s PHE 181 N -3.60 0.07 -0.04 -0.03 -0.12 -0.24 -4.77 117.98 109.24 3k9x s PHE 181 Ca 0.19 -0.45 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3k9x s PHE 181 Cb 0.05 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.48 3k9x s PHE 181 CO 0.01 -0.65 0.13 0.00 -0.05 0.00 0.00 175.22 174.66 3k9x s ALA 183 N -1.18 -0.65 0.00 0.00 0.00 -0.63 -2.10 121.76 117.21 3k9x s ALA 183 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3k9x s ALA 183 Cb -0.12 0.27 0.00 0.00 0.00 0.00 0.00 23.12 23.27 3k9x s ALA 183 CO 0.12 -0.38 0.00 0.41 0.00 0.00 0.00 175.76 175.92 3k9x n GLY 184 N 0.73 0.62 3.26 0.00 0.00 0.04 -1.69 105.19 108.13 3k9x n GLY 184 Ca -0.19 -1.88 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 3k9x n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k9x s TYR 185 N -2.07 1.75 0.03 1.61 1.51 -1.26 -4.11 117.35 114.81 3k9x s TYR 185 Ca 0.00 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.38 3k9x s TYR 185 Cb 0.00 -1.01 -0.17 0.00 -0.11 0.00 0.00 41.96 40.67 3k9x s TYR 185 CO 0.00 0.13 1.33 0.22 -1.11 0.00 0.00 175.55 176.12 3k9x h ASP 185 N 4.55 -0.69 0.00 2.29 -0.00 -1.92 -3.43 116.42 117.23 3k9x h ASP 185 Ca -0.44 -0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.57 3k9x h ASP 185 Cb 1.17 0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.68 3k9x h ASP 185 CO 0.42 -0.36 -0.36 0.35 -0.00 0.00 0.00 179.24 179.28 3k9x n THR 185 N -5.37 0.00 -1.73 2.25 -2.24 -1.26 -0.56 114.28 105.37 3k9x n THR 185 Ca -0.12 -0.13 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 3k9x n THR 185 Cb 0.35 0.59 -0.00 0.00 -2.10 0.00 0.00 70.33 69.17 3k9x n THR 185 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3k9x n LYS 186 N -0.79 2.33 -1.69 -0.78 4.81 -1.26 -4.82 118.16 115.95 3k9x n LYS 186 Ca 0.00 0.82 -0.40 0.00 -0.87 0.00 0.00 58.31 57.85 3k9x n LYS 186 Cb 0.00 -2.47 -0.01 0.00 0.02 0.00 0.00 35.03 32.57 3k9x n LYS 186 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3k9x n GLN 187 N 0.46 3.73 -3.81 1.64 1.13 -1.26 -4.76 117.38 114.51 3k9x n GLN 187 Ca 0.03 -2.75 -0.13 0.00 -1.94 0.00 0.00 57.00 52.21 3k9x n GLN 187 Cb 0.37 -2.88 -0.15 0.00 0.11 0.00 0.00 30.24 27.70 3k9x n GLN 187 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3k9x s GLU 188 N 1.36 0.00 0.00 -1.09 2.02 -1.26 -4.14 118.70 115.60 3k9x s GLU 188 Ca 0.58 0.13 -0.30 0.00 0.02 0.00 0.00 54.97 55.40 3k9x s GLU 188 Cb 0.16 -0.11 0.11 0.00 0.10 0.00 0.00 34.13 34.39 3k9x s GLU 188 CO -0.07 -0.09 1.25 0.34 0.02 0.00 0.00 175.26 176.72 3k9x s ASP 189 N 0.56 -0.06 0.89 -0.19 3.68 -0.62 -4.43 116.67 116.50 3k9x s ASP 189 Ca -0.05 -0.18 -0.12 0.00 2.13 0.00 0.00 52.55 54.34 3k9x s ASP 189 Cb -0.07 0.20 0.17 0.00 -1.45 0.00 0.00 42.92 41.78 3k9x s ASP 189 CO -0.02 -0.37 1.23 0.00 0.13 0.00 0.00 175.17 176.14 3k9x s ALA 190 N -2.47 2.63 0.26 3.66 0.00 -1.26 0.03 121.76 124.62 3k9x s ALA 190 Ca 0.15 -1.30 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 3k9x s ALA 190 Cb 0.04 -2.60 0.05 0.00 0.00 0.00 0.00 23.12 20.61 3k9x s ALA 190 CO -0.03 -2.14 0.69 0.00 0.00 0.00 0.00 175.76 174.28 3k9x s GLN 192 N -2.06 4.10 0.00 0.00 -0.21 -1.26 -1.42 119.66 118.80 3k9x s GLN 192 Ca 0.14 2.59 0.00 0.00 0.02 0.00 0.00 55.36 58.12 3k9x s GLN 192 Cb -0.03 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 31.00 3k9x s GLN 192 CO 0.08 -0.57 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 3k9x n GLY 193 N 0.72 3.20 0.20 3.09 0.00 -1.26 -1.30 105.19 109.84 3k9x n GLY 193 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 3k9x n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3k9x h ASP 194 N 0.00 0.00 -1.62 1.61 3.45 -1.55 -3.33 116.42 114.99 3k9x h ASP 194 Ca 0.00 0.00 -0.65 0.00 0.43 0.00 0.00 57.03 56.81 3k9x h ASP 194 Cb 0.00 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 38.88 3k9x h ASP 194 CO 0.00 0.10 -0.20 -1.20 -1.57 0.00 0.00 179.24 176.37 3k9x n SER 195 N -3.10 -0.06 0.00 6.45 7.64 -1.26 -1.25 113.62 122.05 3k9x n SER 195 Ca 0.03 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.06 3k9x n SER 195 Cb 0.57 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 3k9x n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k9x n GLY 196 N 1.69 2.68 3.08 0.23 0.00 0.32 0.58 105.19 113.77 3k9x n GLY 196 Ca 0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3k9x n GLY 196 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k9x n GLY 197 N -2.00 -1.06 3.74 -0.02 0.00 -0.38 -3.43 105.19 102.04 3k9x n GLY 197 Ca 0.00 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 3k9x n GLY 197 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3k9x s PRO 198 N -5.18 4.60 -0.18 1.61 0.02 -1.26 -1.74 135.00 132.87 3k9x s PRO 198 Ca 0.59 1.75 0.01 0.00 0.02 0.00 0.00 61.00 63.37 3k9x s PRO 198 Cb -0.02 -3.25 0.02 0.00 0.02 0.00 0.00 34.50 31.27 3k9x s PRO 198 CO 0.41 0.11 -0.19 -1.58 -0.33 0.00 0.00 177.00 175.42 3k9x s HIS 199 N -0.52 2.79 0.22 6.54 2.46 -0.62 -2.58 115.29 123.58 3k9x s HIS 199 Ca 0.48 -1.60 0.09 0.00 0.47 0.00 0.00 55.06 54.50 3k9x s HIS 199 Cb -0.30 -1.93 -0.05 0.00 -0.13 0.00 0.00 32.58 30.17 3k9x s HIS 199 CO 0.37 -0.79 -0.18 0.14 -2.47 0.00 0.00 174.74 171.81 3k9x s VAL 200 N 1.30 2.01 -0.07 0.89 -7.23 -0.01 -0.99 120.40 116.31 3k9x s VAL 200 Ca 0.05 -2.19 0.02 0.00 -1.81 0.00 0.00 61.98 58.05 3k9x s VAL 200 Cb -0.13 -2.07 0.02 0.00 0.56 0.00 0.00 36.38 34.75 3k9x s VAL 200 CO -0.12 -0.44 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.23 3k9x s THR 201 N -2.53 1.02 0.11 5.32 2.01 0.13 -0.21 115.64 121.49 3k9x s THR 201 Ca 0.23 -0.39 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3k9x s THR 201 Cb -0.04 -0.96 -0.06 0.00 0.01 0.00 0.00 72.50 71.45 3k9x s THR 201 CO 0.09 0.34 0.99 -0.60 -0.69 0.00 0.00 174.62 174.75 3k9x s ARG 202 N 0.87 4.67 -0.13 4.92 3.52 -1.26 -1.59 118.95 129.95 3k9x s ARG 202 Ca -0.11 1.49 -0.03 0.00 -0.13 0.00 0.00 55.73 56.95 3k9x s ARG 202 Cb -0.15 -3.37 0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3k9x s ARG 202 CO 0.01 0.17 0.07 0.12 -0.81 0.00 0.00 175.30 174.86 3k9x s PHE 203 N 0.05 0.30 -1.07 5.12 5.36 0.16 -4.93 117.98 122.98 3k9x s PHE 203 Ca 0.48 -0.20 -0.17 0.00 -0.96 0.00 0.00 56.93 56.08 3k9x s PHE 203 Cb -0.24 -0.68 -0.01 0.00 -0.34 0.00 0.00 43.02 41.75 3k9x s PHE 203 CO 0.30 -0.41 0.77 1.63 -1.46 0.00 0.00 175.22 176.05 3k9x n LYS 204 N 5.24 -1.24 -0.95 10.12 5.02 -1.26 -1.97 118.16 133.12 3k9x n LYS 204 Ca -0.06 0.58 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 3k9x n LYS 204 Cb 0.49 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.43 3k9x n LYS 204 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3k9x n ASP 205 N -2.58 -3.97 -4.17 4.39 10.43 -1.26 -4.99 116.55 114.40 3k9x n ASP 205 Ca -0.11 0.00 -0.25 0.00 2.57 0.00 0.00 54.79 57.01 3k9x n ASP 205 Cb 0.59 -2.13 -0.15 0.00 1.84 0.00 0.00 41.12 41.27 3k9x n ASP 205 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 3k9x s THR 206 N -1.55 1.39 -0.20 -3.53 2.01 -0.83 -5.13 115.64 107.80 3k9x s THR 206 Ca 0.00 -0.79 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 3k9x s THR 206 Cb 0.00 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 3k9x s THR 206 CO 0.00 0.36 0.08 -0.31 -0.69 0.00 0.00 174.62 174.06 3k9x s TYR 207 N -0.46 3.25 -0.02 4.92 1.51 -1.26 -0.67 117.35 124.63 3k9x s TYR 207 Ca 0.07 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.26 3k9x s TYR 207 Cb -0.07 -2.14 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 3k9x s TYR 207 CO -0.00 0.08 -0.25 -0.06 -1.11 0.00 0.00 175.55 174.21 3k9x s PHE 208 N 0.65 2.36 -0.01 2.71 0.08 -0.62 -2.07 117.98 121.08 3k9x s PHE 208 Ca 0.04 -0.42 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 3k9x s PHE 208 Cb -0.13 -1.50 -0.06 0.00 -0.57 0.00 0.00 43.02 40.76 3k9x s PHE 208 CO 0.01 -0.01 1.57 0.08 -0.10 0.00 0.00 175.22 176.77 3k9x s VAL 209 N -0.64 3.49 0.00 -0.44 1.01 0.18 -0.69 120.40 123.31 3k9x s VAL 209 Ca 0.10 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3k9x s VAL 209 Cb -0.10 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3k9x s VAL 209 CO -0.01 -0.03 0.00 0.35 0.00 0.00 0.00 175.10 175.41 3k9x n THR 210 N 5.04 0.00 -3.80 3.92 -2.24 -0.16 -4.58 114.28 112.47 3k9x n THR 210 Ca 0.16 -0.31 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 3k9x n THR 210 Cb 0.42 0.83 -0.02 0.00 -2.10 0.00 0.00 70.33 69.47 3k9x n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3k9x s GLY 211 N -1.15 -0.15 -0.09 3.38 0.00 -0.65 -2.31 107.32 106.36 3k9x s GLY 211 Ca 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.54 3k9x s GLY 211 CO 0.00 -0.07 -0.15 -0.42 0.00 0.00 0.00 173.10 172.45 3k9x s ILE 212 N -3.90 1.43 0.15 0.90 1.01 -1.06 -1.59 121.20 118.14 3k9x s ILE 212 Ca 0.10 -0.63 -0.31 0.00 0.00 0.00 0.00 60.65 59.80 3k9x s ILE 212 Cb -0.05 -1.29 -0.11 0.00 0.01 0.00 0.00 42.46 41.03 3k9x s ILE 212 CO 0.04 0.42 1.74 -0.69 0.00 0.00 0.00 174.94 176.45 3k9x s VAL 213 N 0.71 2.43 0.03 2.92 1.01 -0.71 -0.61 120.40 126.19 3k9x s VAL 213 Ca -0.13 0.14 -0.00 0.00 0.00 0.00 0.00 61.98 61.98 3k9x s VAL 213 Cb -0.16 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 3k9x s VAL 213 CO 0.03 0.00 -0.01 -0.24 0.00 0.00 0.00 175.10 174.89 3k9x n SER 214 N 4.91 0.48 -3.71 3.32 2.88 -0.65 -0.52 113.62 120.32 3k9x n SER 214 Ca 0.16 0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.70 3k9x n SER 214 Cb 0.37 -0.17 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 3k9x n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3k9x s TRP 215 N -1.43 -0.14 -0.18 0.66 1.48 -0.78 -4.89 118.94 113.66 3k9x s TRP 215 Ca -0.01 -0.35 -0.29 0.00 -1.06 0.00 0.00 56.10 54.40 3k9x s TRP 215 Cb 0.00 0.73 0.12 0.00 -1.16 0.00 0.00 33.47 33.16 3k9x s TRP 215 CO 0.01 -1.26 0.97 0.20 -4.06 0.00 0.00 176.95 172.81 3k9x s GLY 216 N -2.95 -0.27 -0.88 3.67 0.00 -1.26 -0.33 107.32 105.30 3k9x s GLY 216 Ca 0.12 2.13 -0.23 0.00 0.00 0.00 0.00 44.72 46.74 3k9x s GLY 216 CO 0.07 1.25 1.24 -0.54 0.00 0.00 0.00 173.10 175.13 3k9x s GLU 217 N -0.73 3.43 1.69 2.90 2.02 -1.26 -4.86 118.70 121.89 3k9x s GLU 217 Ca -0.01 -1.06 0.00 0.00 0.02 0.00 0.00 54.97 53.91 3k9x s GLU 217 Cb -0.02 -4.81 0.00 0.00 0.10 0.00 0.00 34.13 29.41 3k9x s GLU 217 CO 0.00 -2.01 0.00 0.41 0.02 0.00 0.00 175.26 173.68 3k9x n GLY 218 N 5.95 -1.32 2.97 -1.39 0.00 -1.26 -4.62 105.19 105.52 3k9x n GLY 218 Ca 0.18 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 3k9x n GLY 218 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k9x n ALA 221 N 4.84 -1.16 -1.79 0.00 0.00 -1.26 -4.57 120.51 116.57 3k9x n ALA 221 Ca -0.15 0.27 -0.36 0.00 0.00 0.00 0.00 53.44 53.20 3k9x n ALA 221 Cb 0.50 -4.35 -0.05 0.00 0.00 0.00 0.00 19.45 15.54 3k9x n ALA 221 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3k9x s ARG 222 N -6.16 4.33 0.27 0.00 0.52 -1.26 -4.75 118.95 111.90 3k9x s ARG 222 Ca 0.49 1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 56.78 3k9x s ARG 222 Cb -0.23 -2.57 -0.11 0.00 0.52 0.00 0.00 34.95 32.56 3k9x s ARG 222 CO 0.61 0.03 1.50 0.15 0.02 0.00 0.00 175.30 177.61 3k9x s LYS 223 N -2.46 4.20 0.00 3.54 1.02 -1.26 -2.22 119.74 122.57 3k9x s LYS 223 Ca 0.56 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.97 3k9x s LYS 223 Cb -0.18 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 3k9x s LYS 223 CO 0.23 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 174.57 3k9x n GLY 223 N 2.08 0.55 3.33 -3.33 0.00 0.28 -5.00 105.19 103.10 3k9x n GLY 223 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3k9x n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9x s LYS 224 N -0.29 1.35 0.33 1.61 -0.14 -0.94 -4.78 119.74 116.88 3k9x s LYS 224 Ca 0.00 -1.22 0.09 0.00 -1.36 0.00 0.00 55.97 53.49 3k9x s LYS 224 Cb 0.00 -1.70 -0.06 0.00 -1.68 0.00 0.00 37.83 34.39 3k9x s LYS 224 CO 0.00 0.41 -0.10 0.71 -0.76 0.00 0.00 175.35 175.61 3k9x s TYR 225 N -1.04 2.36 0.36 3.18 2.02 -1.26 -4.56 117.35 118.41 3k9x s TYR 225 Ca 0.10 -0.50 -0.25 0.00 -0.37 0.00 0.00 57.07 56.05 3k9x s TYR 225 Cb -0.10 -1.33 -0.09 0.00 -0.40 0.00 0.00 41.96 40.04 3k9x s TYR 225 CO 0.04 0.57 1.03 0.20 -1.57 0.00 0.00 175.55 175.83 3k9x s GLY 226 N -3.59 2.81 -0.13 0.71 0.00 -0.68 -4.56 107.32 101.87 3k9x s GLY 226 Ca 0.32 0.69 -0.01 0.00 0.00 0.00 0.00 44.72 45.72 3k9x s GLY 226 CO 0.16 1.16 -0.09 -0.42 0.00 0.00 0.00 173.10 173.91 3k9x s ILE 227 N -1.56 3.45 0.06 0.90 -1.09 0.55 -1.61 121.20 121.90 3k9x s ILE 227 Ca 0.54 -0.53 0.09 0.00 -2.23 0.00 0.00 60.65 58.52 3k9x s ILE 227 Cb -0.23 -2.47 -0.03 0.00 -1.58 0.00 0.00 42.46 38.15 3k9x s ILE 227 CO 0.29 0.53 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.96 3k9x s TYR 228 N 0.15 2.36 0.23 3.97 1.51 -0.13 -1.64 117.35 123.80 3k9x s TYR 228 Ca -0.04 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 3k9x s TYR 228 Cb -0.14 -1.38 -0.09 0.00 -0.11 0.00 0.00 41.96 40.24 3k9x s TYR 228 CO 0.04 0.18 1.25 0.99 -1.11 0.00 0.00 175.55 176.90 3k9x s THR 229 N -0.87 3.27 -0.54 -0.71 2.01 0.22 -1.08 115.64 117.95 3k9x s THR 229 Ca 0.13 1.12 -0.23 0.00 0.31 0.00 0.00 61.69 63.02 3k9x s THR 229 Cb -0.10 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.74 3k9x s THR 229 CO 0.03 0.20 0.87 -0.75 -0.69 0.00 0.00 174.62 174.29 3k9x s LYS 230 N -0.61 3.28 0.40 4.92 2.20 0.05 -2.55 119.74 127.43 3k9x s LYS 230 Ca 0.53 -0.41 0.09 0.00 -0.36 0.00 0.00 55.97 55.82 3k9x s LYS 230 Cb -0.35 -4.06 0.82 0.00 -1.51 0.00 0.00 37.83 32.73 3k9x s LYS 230 CO 0.40 -1.43 1.97 0.28 -0.36 0.00 0.00 175.35 176.22 3k9x h VAL 231 N 5.99 1.14 -0.82 4.02 2.07 -1.79 -2.60 116.25 124.26 3k9x h VAL 231 Ca -0.26 -0.53 0.16 0.00 0.82 0.00 0.00 66.70 66.88 3k9x h VAL 231 Cb 1.08 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 3k9x h VAL 231 CO 1.06 0.18 0.54 0.71 0.02 0.00 0.00 177.57 180.08 3k9x h THR 232 N 0.34 0.79 0.00 2.57 1.35 -1.89 0.64 112.91 116.71 3k9x h THR 232 Ca 0.08 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3k9x h THR 232 Cb 0.20 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 66.87 3k9x h THR 232 CO 0.00 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.36 3k9x h ALA 233 N 1.62 1.00 -0.09 6.62 0.00 -1.83 -3.20 119.26 123.39 3k9x h ALA 233 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3k9x h ALA 233 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3k9x h ALA 233 CO -0.15 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.29 3k9x n PHE 234 N -2.96 0.20 -0.27 0.00 3.72 0.20 -4.78 117.46 113.56 3k9x n PHE 234 Ca -0.00 -0.71 -0.06 0.00 -0.05 0.00 0.00 57.45 56.62 3k9x n PHE 234 Cb 0.23 -0.11 0.06 0.00 -0.94 0.00 0.00 39.48 38.71 3k9x n PHE 234 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3k9x h LEU 235 N 0.55 1.00 -0.43 4.37 3.38 -1.49 0.34 115.31 123.02 3k9x h LEU 235 Ca 0.00 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 3k9x h LEU 235 Cb 0.82 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3k9x h LEU 235 CO 0.03 0.88 0.05 0.50 0.09 0.00 0.00 178.44 179.99 3k9x h LYS 236 N 1.05 0.73 -0.52 1.13 3.64 -1.86 -0.83 116.57 119.91 3k9x h LYS 236 Ca 0.25 -0.21 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 3k9x h LYS 236 Cb 0.18 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3k9x h LYS 236 CO -0.02 0.78 0.13 2.35 -2.27 0.00 0.00 179.45 180.41 3k9x h TRP 237 N 0.59 0.82 -0.25 1.91 7.01 -1.76 -1.32 115.95 122.94 3k9x h TRP 237 Ca 0.13 -0.07 -0.17 0.00 2.11 0.00 0.00 58.89 60.89 3k9x h TRP 237 Cb 0.41 -0.24 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 3k9x h TRP 237 CO 0.03 0.69 -0.51 0.82 -2.79 0.00 0.00 178.44 176.68 3k9x h ILE 238 N 0.77 1.29 -0.59 2.65 2.04 -0.56 -2.15 117.51 120.97 3k9x h ILE 238 Ca 0.17 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.35 3k9x h ILE 238 Cb 0.28 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 3k9x h ILE 238 CO -0.00 0.55 0.37 -0.78 0.00 0.00 0.00 178.15 178.28 3k9x h ASP 239 N 0.54 0.60 -0.74 1.72 -0.00 -0.82 -2.25 116.42 115.48 3k9x h ASP 239 Ca 0.01 -0.00 -0.05 0.00 -0.00 0.00 0.00 57.03 56.99 3k9x h ASP 239 Cb 1.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 40.28 3k9x h ASP 239 CO 0.11 0.43 0.28 0.03 -0.00 0.00 0.00 179.24 180.09 3k9x h ARG 240 N 0.73 1.11 0.00 0.28 3.08 -1.11 -1.40 114.38 117.07 3k9x h ARG 240 Ca 0.23 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3k9x h ARG 240 Cb -0.00 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 3k9x h ARG 240 CO -0.09 0.92 -0.06 0.77 -1.07 0.00 0.00 179.97 180.44 3k9x h SER 241 N 1.07 0.00 0.00 7.04 0.02 -0.97 -3.14 113.55 117.56 3k9x h SER 241 Ca 0.24 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.98 3k9x h SER 241 Cb 0.23 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.73 3k9x h SER 241 CO -0.02 0.06 -2.05 0.23 -1.14 0.00 0.00 176.83 173.92 3k9x n MET 242 N -3.29 1.07 0.07 3.45 2.81 -0.88 -4.23 117.12 116.13 3k9x n MET 242 Ca -0.01 -0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.91 3k9x n MET 242 Cb 0.25 -1.43 0.38 0.00 -0.71 0.00 0.00 33.22 31.72 3k9x n MET 242 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3k9x n LYS 243 N -2.47 0.10 -0.28 0.03 5.02 -0.56 -3.29 118.16 116.71 3k9x n LYS 243 Ca -0.20 0.40 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 3k9x n LYS 243 Cb 0.88 -1.71 0.15 0.00 -0.02 0.00 0.00 35.03 34.33 3k9x n LYS 243 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3k9x h THR 244 N 0.00 0.91 -0.16 -0.18 2.02 -1.73 -3.47 112.91 110.29 3k9x h THR 244 Ca 0.00 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 66.85 3k9x h THR 244 Cb 0.23 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 3k9x h THR 244 CO 0.00 0.14 -0.06 -1.14 0.37 0.00 0.00 175.52 174.82 3k9x n ARG 245 N -4.77 -1.77 0.00 6.66 0.63 -1.21 -4.84 116.66 111.36 3k9x n ARG 245 Ca 0.12 0.59 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 3k9x n ARG 245 Cb 0.26 -4.98 0.00 0.00 0.45 0.00 0.00 32.46 28.20 3k9x n ARG 245 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3k9x n GLY 246 N 0.50 3.42 3.77 5.14 0.00 -1.26 -5.08 105.19 111.67 3k9x n GLY 246 Ca -0.03 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3k9x n GLY 246 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k9x s LEU 247 N 0.00 4.16 0.00 0.99 1.02 -1.26 -5.24 118.68 118.35 3k9x s LEU 247 Ca 0.00 2.67 0.19 0.00 0.02 0.00 0.00 54.13 57.01 3k9x s LEU 247 Cb 0.00 -3.96 1.14 0.00 0.02 0.00 0.00 46.19 43.39 3k9x s LEU 247 CO 0.00 -0.94 1.53 -2.65 0.02 0.00 0.00 176.35 174.31