#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 5.02 0.00 1.39 1.01 0.13 -4.17 120.40 123.78 3k9x s VAL 17 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 61.98 63.18 3k9x s VAL 17 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3k9x s VAL 17 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 3k9x n GLY 18 N 3.75 -0.05 7.00 4.51 0.00 -1.26 -1.42 105.19 117.72 3k9x n GLY 18 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 3.23 -0.02 0.00 -1.26 -4.94 105.19 103.11 3k9x n GLY 19 Ca 0.00 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 0.89 0.43 1.61 -0.21 -0.78 -5.00 119.66 116.61 3k9x s GLN 20 Ca 0.00 -0.95 -0.24 0.00 0.02 0.00 0.00 55.36 54.19 3k9x s GLN 20 Cb 0.00 0.36 -0.08 0.00 1.00 0.00 0.00 33.01 34.29 3k9x s GLN 20 CO 0.00 -0.30 1.20 -1.21 -2.12 0.00 0.00 175.29 172.86 3k9x s GLU 21 N -3.86 3.88 0.19 2.91 2.02 -1.26 -0.93 118.70 121.64 3k9x s GLU 21 Ca 0.06 1.88 -0.31 0.00 0.02 0.00 0.00 54.97 56.62 3k9x s GLU 21 Cb 0.04 -2.56 -0.10 0.00 0.10 0.00 0.00 34.13 31.62 3k9x s GLU 21 CO -0.10 -0.48 1.46 0.00 0.02 0.00 0.00 175.26 176.15 3k9x s LYS 23 N 0.37 1.45 0.12 0.00 3.01 -1.26 -4.93 119.74 118.51 3k9x s LYS 23 Ca 0.63 0.25 -0.33 0.00 -1.01 0.00 0.00 55.97 55.51 3k9x s LYS 23 Cb -0.41 -1.88 -0.13 0.00 -1.01 0.00 0.00 37.83 34.40 3k9x s LYS 23 CO 0.37 -1.98 1.67 -3.47 0.51 0.00 0.00 175.35 172.46 3k9x n ASP 24 N -3.61 3.36 0.00 2.83 -0.08 -1.26 -0.99 116.55 116.80 3k9x n ASP 24 Ca 0.07 1.05 0.00 0.00 -1.51 0.00 0.00 54.79 54.40 3k9x n ASP 24 Cb 0.60 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.61 3k9x n ASP 24 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3k9x n GLY 25 N 3.73 2.53 0.13 0.27 0.00 -1.26 -4.89 105.19 105.70 3k9x n GLY 25 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 2.27 0.28 -2.18 1.61 4.81 -1.42 -3.37 114.58 116.58 3k9x h GLU 26 Ca 0.00 -0.36 -0.56 0.00 -0.13 0.00 0.00 59.36 58.32 3k9x h GLU 26 Cb 0.00 0.11 -0.41 0.00 0.63 0.00 0.00 28.75 29.08 3k9x h GLU 26 CO 0.00 1.09 -0.83 0.00 -0.73 0.00 0.00 179.01 178.54 3k9x h PRO 28 N 3.18 0.00 -0.00 0.00 0.13 -1.78 -2.68 132.00 130.84 3k9x h PRO 28 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3k9x h PRO 28 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3k9x h PRO 28 CO 0.71 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.81 3k9x n TRP 29 N -2.80 0.00 -2.01 1.56 2.14 -1.05 -2.37 117.44 112.91 3k9x n TRP 29 Ca 0.04 -0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.19 3k9x n TRP 29 Cb 0.44 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.91 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 -2.00 4.26 0.21 -2.67 2.00 -1.01 -0.10 119.66 120.34 3k9x s GLN 30 Ca 0.45 2.28 0.10 0.00 -2.00 0.00 0.00 55.36 56.20 3k9x s GLN 30 Cb 0.22 -3.15 -0.04 0.00 0.80 0.00 0.00 33.01 30.83 3k9x s GLN 30 CO 0.36 -0.49 -0.20 0.00 -0.50 0.00 0.00 175.29 174.46 3k9x s ALA 31 N 0.62 2.35 -0.08 1.58 0.00 -0.54 -4.43 121.76 121.25 3k9x s ALA 31 Ca 0.64 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.97 3k9x s ALA 31 Cb -0.42 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.48 3k9x s ALA 31 CO 0.36 0.29 -0.13 -1.17 0.00 0.00 0.00 175.76 175.11 3k9x s LEU 32 N -2.94 1.63 -0.21 0.00 2.96 0.10 -1.12 118.68 119.09 3k9x s LEU 32 Ca 0.21 -0.33 -0.20 0.00 -0.22 0.00 0.00 54.13 53.59 3k9x s LEU 32 Cb -0.06 -0.89 -0.02 0.00 0.50 0.00 0.00 46.19 45.72 3k9x s LEU 32 CO 0.10 0.02 0.61 -0.76 -1.32 0.00 0.00 176.35 174.99 3k9x s LEU 33 N 0.80 4.12 -0.06 -0.68 1.43 0.02 0.17 118.68 124.49 3k9x s LEU 33 Ca -0.12 0.76 0.05 0.00 -1.03 0.00 0.00 54.13 53.80 3k9x s LEU 33 Cb -0.15 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.21 3k9x s LEU 33 CO 0.02 -0.28 -0.22 0.27 0.23 0.00 0.00 176.35 176.36 3k9x s ILE 34 N 2.04 2.33 0.43 -0.59 -4.36 -0.59 -0.98 121.20 119.48 3k9x s ILE 34 Ca 0.27 -0.98 -0.05 0.00 -0.26 0.00 0.00 60.65 59.63 3k9x s ILE 34 Cb -0.16 -1.86 0.09 0.00 1.25 0.00 0.00 42.46 41.78 3k9x s ILE 34 CO 0.10 0.57 0.58 -0.46 0.24 0.00 0.00 174.94 175.97 3k9x n ASN 35 N 2.79 0.26 0.32 4.36 0.23 -0.01 -1.21 115.26 122.00 3k9x n ASN 35 Ca -0.17 -1.35 0.21 0.00 -0.53 0.00 0.00 54.58 52.74 3k9x n ASN 35 Cb 0.52 -0.43 1.02 0.00 -2.08 0.00 0.00 39.78 38.81 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 -0.62 -3.83 5.08 -1.88 0.16 114.58 113.49 3k9x h GLU 36 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3k9x h GLU 36 Cb 0.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.83 3k9x h GLU 36 CO 0.16 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.56 3k9x n GLU 37 N -3.10 3.08 -2.07 2.33 1.02 -1.26 -4.92 120.64 115.72 3k9x n GLU 37 Ca -0.02 -2.15 -0.20 0.00 -0.02 0.00 0.00 57.16 54.78 3k9x n GLU 37 Cb 0.16 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 29.79 3k9x n GLU 37 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3k9x n ASN 38 N 0.78 -5.55 -4.74 1.62 4.13 0.57 -4.99 115.26 107.07 3k9x n ASN 38 Ca 0.19 0.18 -0.36 0.00 1.68 0.00 0.00 54.58 56.28 3k9x n ASN 38 Cb 0.71 -4.66 -0.08 0.00 -1.54 0.00 0.00 39.78 34.21 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 -4.48 3.38 0.25 3.52 2.02 -1.26 -4.80 118.70 117.34 3k9x s GLU 39 Ca 0.00 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.40 3k9x s GLU 39 Cb 0.00 -3.03 -0.09 0.00 0.10 0.00 0.00 34.13 31.11 3k9x s GLU 39 CO 0.00 0.63 1.28 0.20 0.02 0.00 0.00 175.26 177.39 3k9x s GLY 40 N -0.63 2.71 0.00 -1.39 0.00 -1.26 -0.83 107.32 105.92 3k9x s GLY 40 Ca 0.11 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.97 3k9x s GLY 40 CO 0.02 1.95 0.23 1.97 0.00 0.00 0.00 173.10 177.28 3k9x n PHE 41 N 1.85 0.00 -3.54 1.90 1.16 -0.15 -4.93 117.46 113.74 3k9x n PHE 41 Ca 0.03 -0.02 -0.07 0.00 -1.87 0.00 0.00 57.45 55.52 3k9x n PHE 41 Cb 0.43 -0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.27 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 -0.22 2.59 3.78 0.00 0.00 0.77 -0.80 105.19 111.31 3k9x n GLY 43 Ca -0.06 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.37 0.34 -0.08 -0.02 0.00 -0.28 -3.56 107.32 101.36 3k9x s GLY 44 Ca 0.11 -0.69 0.04 0.00 0.00 0.00 0.00 44.72 44.17 3k9x s GLY 44 CO 0.07 -0.33 -0.20 -1.59 0.00 0.00 0.00 173.10 171.05 3k9x s THR 45 N -2.97 1.75 -0.07 0.90 2.01 0.71 -1.47 115.64 116.50 3k9x s THR 45 Ca 0.16 -0.85 -0.30 0.00 0.31 0.00 0.00 61.69 61.01 3k9x s THR 45 Cb -0.05 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.88 3k9x s THR 45 CO 0.11 0.49 1.59 -0.63 -0.69 0.00 0.00 174.62 175.49 3k9x s ILE 46 N 0.38 3.69 -0.20 1.82 1.01 0.86 -0.78 121.20 127.99 3k9x s ILE 46 Ca -0.16 0.84 0.14 0.00 0.00 0.00 0.00 60.65 61.47 3k9x s ILE 46 Cb -0.17 -3.54 -0.22 0.00 0.01 0.00 0.00 42.46 38.54 3k9x s ILE 46 CO 0.07 -0.07 0.01 0.18 0.00 0.00 0.00 174.94 175.12 3k9x n LEU 47 N 7.01 0.61 0.00 2.97 4.77 -0.44 -1.21 117.00 130.71 3k9x n LEU 47 Ca 0.17 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.08 3k9x n LEU 47 Cb 0.43 0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3k9x n LEU 47 CO 0.61 0.55 0.50 -1.54 -1.33 0.00 0.00 177.39 176.19 3k9x n SER 48 N -2.80 -1.35 0.02 -1.43 3.41 -1.13 -4.72 113.62 105.62 3k9x n SER 48 Ca -0.33 -1.80 0.16 0.00 -0.26 0.00 0.00 58.87 56.64 3k9x n SER 48 Cb 1.08 2.21 0.63 0.00 -0.26 0.00 0.00 64.21 67.87 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 0.10 0.00 4.33 3.07 -1.99 -3.15 114.58 116.95 3k9x h GLU 49 Ca -0.20 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 3k9x h GLU 49 Cb 0.84 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 3k9x h GLU 49 CO 0.27 0.07 -0.67 1.19 -1.40 0.00 0.00 179.01 178.46 3k9x n PHE 50 N -4.43 0.00 -5.08 4.33 3.72 -1.26 -0.41 117.46 114.34 3k9x n PHE 50 Ca 0.08 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 3k9x n PHE 50 Cb 0.46 -0.05 -0.16 0.00 -0.94 0.00 0.00 39.48 38.79 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 -2.03 2.60 -0.05 1.38 2.02 -1.19 -0.89 117.35 119.18 3k9x s TYR 51 Ca 0.02 -0.69 0.04 0.00 -0.37 0.00 0.00 57.07 56.06 3k9x s TYR 51 Cb 0.06 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3k9x s TYR 51 CO 0.36 -0.20 -0.17 0.42 -1.57 0.00 0.00 175.55 174.39 3k9x s ILE 52 N -0.00 2.85 -0.16 2.71 -1.09 -0.54 -1.32 121.20 123.65 3k9x s ILE 52 Ca -0.07 -0.80 -0.09 0.00 -2.23 0.00 0.00 60.65 57.46 3k9x s ILE 52 Cb -0.15 -2.10 -0.05 0.00 -1.58 0.00 0.00 42.46 38.58 3k9x s ILE 52 CO 0.05 0.58 0.16 -0.22 -1.23 0.00 0.00 174.94 174.28 3k9x s LEU 53 N -0.57 4.29 0.00 2.97 2.96 0.04 -0.52 118.68 127.86 3k9x s LEU 53 Ca 0.08 0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.36 3k9x s LEU 53 Cb -0.11 -2.12 0.00 0.00 0.50 0.00 0.00 46.19 44.46 3k9x s LEU 53 CO 0.01 0.27 0.24 1.07 -1.32 0.00 0.00 176.35 176.62 3k9x n THR 54 N 2.84 0.00 -3.32 3.68 5.66 -0.24 -0.21 114.28 122.70 3k9x n THR 54 Ca -0.17 -0.87 -0.38 0.00 -3.05 0.00 0.00 64.05 59.58 3k9x n THR 54 Cb 0.53 0.53 -0.06 0.00 -1.55 0.00 0.00 70.33 69.79 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 -2.16 3.57 0.27 1.79 0.00 -1.26 -1.45 121.76 122.52 3k9x s ALA 55 Ca 0.14 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 3k9x s ALA 55 Cb -0.00 -2.60 0.46 0.00 0.00 0.00 0.00 23.12 20.97 3k9x s ALA 55 CO 0.10 0.29 1.85 0.00 0.00 0.00 0.00 175.76 178.00 3k9x h ALA 56 N 5.24 1.38 0.00 0.00 0.00 -1.70 -2.49 119.26 121.69 3k9x h ALA 56 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3k9x h ALA 56 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 3k9x h ALA 56 CO 0.67 0.27 -0.12 1.12 0.00 0.00 0.00 179.25 181.19 3k9x h HIS 57 N 1.01 0.00 -0.07 0.00 2.07 -1.92 -1.53 115.15 114.71 3k9x h HIS 57 Ca 0.45 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.91 3k9x h HIS 57 Cb 0.34 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.31 3k9x h HIS 57 CO -0.02 0.12 -0.24 0.00 -3.07 0.00 0.00 177.93 174.72 3k9x h LEU 59 N 0.10 0.00 -1.84 0.00 3.38 -1.39 -1.45 115.31 114.12 3k9x h LEU 59 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3k9x h LEU 59 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k9x h LEU 59 CO 0.03 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.34 3k9x n TYR 60 N -4.19 0.76 -0.05 1.13 4.01 -0.99 -4.19 117.16 113.63 3k9x n TYR 60 Ca 0.05 -0.33 0.03 0.00 -0.16 0.00 0.00 57.90 57.50 3k9x n TYR 60 Cb 0.45 -0.10 0.08 0.00 -0.31 0.00 0.00 39.34 39.47 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 0.65 2.48 -3.64 -0.72 6.02 -0.55 -4.93 117.38 116.69 3k9x n GLN 61 Ca 0.15 -1.69 -0.05 0.00 -0.01 0.00 0.00 57.00 55.40 3k9x n GLN 61 Cb 0.49 -1.16 -0.07 0.00 1.02 0.00 0.00 30.24 30.52 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 -0.93 -2.04 0.23 -1.58 0.00 -1.26 -5.06 121.76 111.12 3k9x s ALA 61 Ca 0.13 2.34 -0.08 0.00 0.00 0.00 0.00 51.96 54.36 3k9x s ALA 61 Cb 0.07 -1.56 0.22 0.00 0.00 0.00 0.00 23.12 21.86 3k9x s ALA 61 CO 0.09 -0.42 1.90 -0.22 0.00 0.00 0.00 175.76 177.11 3k9x h LYS 62 N 6.78 1.11 -4.23 0.00 3.64 -1.92 -3.43 116.57 118.53 3k9x h LYS 62 Ca -0.28 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 58.78 3k9x h LYS 62 Cb 1.21 -0.25 -0.24 0.00 -0.41 0.00 0.00 32.23 32.54 3k9x h LYS 62 CO 0.17 0.74 -0.73 1.03 -2.27 0.00 0.00 179.45 178.38 3k9x s ARG 63 N -6.12 0.36 0.15 1.90 0.52 -1.26 -5.12 118.95 109.38 3k9x s ARG 63 Ca -0.13 -0.46 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 3k9x s ARG 63 Cb 0.17 -0.18 0.01 0.00 0.52 0.00 0.00 34.95 35.46 3k9x s ARG 63 CO 0.80 0.03 0.33 -0.59 0.02 0.00 0.00 175.30 175.89 3k9x s PHE 64 N -0.87 0.14 0.41 -0.53 -0.71 -1.26 -3.17 117.98 111.99 3k9x s PHE 64 Ca -0.07 -0.51 0.04 0.00 -1.04 0.00 0.00 56.93 55.35 3k9x s PHE 64 Cb -0.06 0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.80 3k9x s PHE 64 CO -0.00 -0.71 0.13 0.15 -1.34 0.00 0.00 175.22 173.45 3k9x s LYS 65 N -3.90 1.94 -0.16 1.99 1.02 -0.35 -4.57 119.74 115.71 3k9x s LYS 65 Ca 0.10 -2.19 0.01 0.00 0.02 0.00 0.00 55.97 53.92 3k9x s LYS 65 Cb 0.03 -0.60 0.02 0.00 -0.52 0.00 0.00 37.83 36.75 3k9x s LYS 65 CO -0.05 -0.49 -0.19 0.08 -0.92 0.00 0.00 175.35 173.78 3k9x s VAL 66 N -3.20 1.94 -0.13 3.17 1.01 -0.57 -1.54 120.40 121.08 3k9x s VAL 66 Ca 0.24 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 3k9x s VAL 66 Cb 0.02 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3k9x s VAL 66 CO 0.15 0.52 0.20 -0.60 0.00 0.00 0.00 175.10 175.37 3k9x s ARG 67 N 1.16 3.82 0.17 2.72 3.52 0.13 0.07 118.95 130.54 3k9x s ARG 67 Ca 0.01 -0.04 0.07 0.00 -0.13 0.00 0.00 55.73 55.64 3k9x s ARG 67 Cb -0.14 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 3k9x s ARG 67 CO -0.09 0.56 -0.13 0.14 -0.81 0.00 0.00 175.30 174.97 3k9x s VAL 68 N -0.46 1.51 0.00 7.11 -7.23 -0.50 -0.72 120.40 120.11 3k9x s VAL 68 Ca 0.15 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.26 3k9x s VAL 68 Cb -0.13 -1.88 0.00 0.00 0.56 0.00 0.00 36.38 34.93 3k9x s VAL 68 CO 0.04 -0.59 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 3k9x n GLY 69 N -0.12 0.47 3.60 2.32 0.00 -1.26 -1.75 105.19 108.45 3k9x n GLY 69 Ca -0.10 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.59 5.46 -0.03 1.61 2.15 -1.26 -3.94 116.67 118.06 3k9x s ASP 70 Ca 0.00 0.02 0.06 0.00 0.43 0.00 0.00 52.55 53.06 3k9x s ASP 70 Cb 0.00 -1.93 -0.09 0.00 -0.30 0.00 0.00 42.92 40.60 3k9x s ASP 70 CO 0.00 0.15 0.09 0.54 -0.17 0.00 0.00 175.17 175.78 3k9x n ARG 71 N 3.67 1.45 -3.70 4.34 1.74 -1.26 -4.81 116.66 118.09 3k9x n ARG 71 Ca -0.17 -0.03 -0.26 0.00 -0.77 0.00 0.00 57.85 56.62 3k9x n ARG 71 Cb 0.52 -1.15 -0.17 0.00 -1.02 0.00 0.00 32.46 30.65 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 -3.15 2.43 0.00 0.55 3.84 -1.26 -0.89 114.94 116.47 3k9x s ASN 72 Ca -0.03 -0.59 0.26 0.00 0.21 0.00 0.00 52.86 52.71 3k9x s ASN 72 Cb 0.03 -0.44 1.55 0.00 -0.55 0.00 0.00 41.25 41.84 3k9x s ASN 72 CO 0.25 -0.30 1.92 0.35 -2.79 0.00 0.00 177.10 176.53 3k9x n THR 73 N 5.15 0.01 -1.63 -5.21 -2.24 0.51 -2.99 114.28 107.87 3k9x n THR 73 Ca -0.08 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 3k9x n THR 73 Cb 0.48 -0.59 0.14 0.00 -2.10 0.00 0.00 70.33 68.27 3k9x n THR 73 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k9x n GLU 74 N -1.02 2.32 -3.00 -0.78 1.02 -1.26 -4.87 120.64 113.05 3k9x n GLU 74 Ca 0.19 -3.49 0.01 0.00 -0.02 0.00 0.00 57.16 53.86 3k9x n GLU 74 Cb 0.10 -1.94 -0.00 0.00 -0.02 0.00 0.00 31.44 29.58 3k9x n GLU 74 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3k9x s GLN 75 N -3.39 0.53 -0.39 3.49 0.74 -1.16 -5.03 119.66 114.44 3k9x s GLN 75 Ca 0.47 -0.18 -0.09 0.00 0.05 0.00 0.00 55.36 55.60 3k9x s GLN 75 Cb 0.41 0.06 -0.09 0.00 1.10 0.00 0.00 33.01 34.49 3k9x s GLN 75 CO -0.01 -0.76 1.41 -1.91 -0.55 0.00 0.00 175.29 173.47 3k9x n GLU 76 N 4.05 0.04 0.05 1.67 4.07 -1.26 -4.57 120.64 124.68 3k9x n GLU 76 Ca 0.09 -0.58 -0.12 0.00 -0.06 0.00 0.00 57.16 56.49 3k9x n GLU 76 Cb 0.60 -2.01 -0.13 0.00 -0.06 0.00 0.00 31.44 29.83 3k9x n GLU 76 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 3k9x h GLU 77 N 9.98 0.11 0.00 5.31 4.11 -1.96 -3.50 114.58 128.63 3k9x h GLU 77 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3k9x h GLU 77 Cb 1.00 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3k9x h GLU 77 CO 1.01 0.94 0.00 0.41 0.07 0.00 0.00 179.01 181.45 3k9x n GLY 78 N 1.53 3.17 0.00 1.06 0.00 -1.26 -4.99 105.19 104.70 3k9x n GLY 78 Ca -0.11 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 0.93 0.46 3.83 -0.02 0.00 -1.26 -5.10 105.19 104.04 3k9x n GLY 79 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.99 3.70 -0.13 1.61 2.02 -1.25 -4.64 118.70 119.02 3k9x s GLU 80 Ca 0.00 1.00 -0.19 0.00 0.02 0.00 0.00 54.97 55.80 3k9x s GLU 80 Cb 0.00 -2.10 0.05 0.00 0.10 0.00 0.00 34.13 32.18 3k9x s GLU 80 CO 0.00 -0.48 0.50 0.00 0.02 0.00 0.00 175.26 175.30 3k9x s ALA 81 N -2.65 -1.25 -0.12 5.21 0.00 -0.72 -5.01 121.76 117.23 3k9x s ALA 81 Ca 0.60 1.18 -0.01 0.00 0.00 0.00 0.00 51.96 53.72 3k9x s ALA 81 Cb -0.12 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 3k9x s ALA 81 CO 0.36 -0.27 -0.06 0.08 0.00 0.00 0.00 175.76 175.87 3k9x s VAL 82 N -0.32 3.68 -0.04 0.00 1.01 -1.26 -1.41 120.40 122.05 3k9x s VAL 82 Ca -0.05 -0.46 0.06 0.00 0.00 0.00 0.00 61.98 61.54 3k9x s VAL 82 Cb -0.03 -2.56 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3k9x s VAL 82 CO 0.03 0.54 -0.23 -1.00 0.00 0.00 0.00 175.10 174.44 3k9x s HIS 83 N -0.11 2.23 0.48 5.22 3.76 0.11 -4.96 115.29 122.02 3k9x s HIS 83 Ca 0.01 -0.60 -0.20 0.00 -0.15 0.00 0.00 55.06 54.13 3k9x s HIS 83 Cb -0.13 -1.46 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 3k9x s HIS 83 CO 0.03 -0.16 1.00 -1.21 -0.85 0.00 0.00 174.74 173.55 3k9x s GLU 84 N -0.24 3.94 -0.16 1.40 2.02 -1.26 -1.51 118.70 122.88 3k9x s GLU 84 Ca -0.00 1.21 -0.20 0.00 0.02 0.00 0.00 54.97 56.01 3k9x s GLU 84 Cb -0.12 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 3k9x s GLU 84 CO 0.02 -0.29 0.56 0.08 0.02 0.00 0.00 175.26 175.65 3k9x s VAL 85 N -2.16 5.10 -0.16 2.63 1.01 -1.26 -0.88 120.40 124.66 3k9x s VAL 85 Ca 0.64 1.08 -0.13 0.00 0.00 0.00 0.00 61.98 63.58 3k9x s VAL 85 Cb -0.13 -3.89 -0.23 0.00 0.00 0.00 0.00 36.38 32.14 3k9x s VAL 85 CO 0.20 0.21 0.26 1.21 0.00 0.00 0.00 175.10 176.98 3k9x n GLU 86 N 4.44 0.67 -3.94 2.72 2.13 0.16 -4.72 120.64 122.10 3k9x n GLU 86 Ca -0.04 0.38 -0.18 0.00 0.66 0.00 0.00 57.16 57.98 3k9x n GLU 86 Cb 0.51 -1.71 -0.16 0.00 0.27 0.00 0.00 31.44 30.34 3k9x n GLU 86 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3k9x s VAL 87 N -2.48 0.24 -0.20 6.31 1.01 -0.68 -4.99 120.40 119.61 3k9x s VAL 87 Ca -0.26 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3k9x s VAL 87 Cb 0.07 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 3k9x s VAL 87 CO 0.68 0.17 0.13 0.68 0.00 0.00 0.00 175.10 176.76 3k9x s VAL 88 N 1.14 5.38 -0.49 2.92 -7.23 -1.26 -1.30 120.40 119.57 3k9x s VAL 88 Ca -0.08 0.18 0.04 0.00 -1.81 0.00 0.00 61.98 60.31 3k9x s VAL 88 Cb -0.13 -3.46 0.13 0.00 0.56 0.00 0.00 36.38 33.47 3k9x s VAL 88 CO -0.02 0.44 0.23 -0.63 -0.31 0.00 0.00 175.10 174.81 3k9x s ILE 89 N 0.39 2.46 0.16 -0.62 1.01 0.55 -5.01 121.20 120.13 3k9x s ILE 89 Ca 0.08 -3.14 -0.19 0.00 0.00 0.00 0.00 60.65 57.40 3k9x s ILE 89 Cb -0.11 -2.72 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 3k9x s ILE 89 CO -0.02 -0.78 0.64 -0.75 0.00 0.00 0.00 174.94 174.04 3k9x s LYS 90 N -0.09 4.20 0.04 2.79 2.20 -1.26 -0.60 119.74 127.03 3k9x s LYS 90 Ca 0.16 0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 56.24 3k9x s LYS 90 Cb -0.25 -3.03 -0.08 0.00 -1.51 0.00 0.00 37.83 32.96 3k9x s LYS 90 CO -0.01 0.50 1.68 -1.58 -0.36 0.00 0.00 175.35 175.58 3k9x s HIS 91 N -1.36 2.25 -0.77 4.03 5.65 -0.72 -4.83 115.29 119.54 3k9x s HIS 91 Ca 0.37 0.24 0.17 0.00 0.25 0.00 0.00 55.06 56.09 3k9x s HIS 91 Cb -0.18 -3.98 0.74 0.00 -1.18 0.00 0.00 32.58 27.98 3k9x s HIS 91 CO 0.21 -4.00 1.53 0.27 -0.65 0.00 0.00 174.74 172.10 3k9x n ASN 92 N 6.02 0.27 -0.37 9.88 6.94 -1.26 -1.84 115.26 134.90 3k9x n ASN 92 Ca 0.16 0.57 0.13 0.00 -0.02 0.00 0.00 54.58 55.43 3k9x n ASN 92 Cb 0.41 -0.63 0.57 0.00 -2.36 0.00 0.00 39.78 37.77 3k9x n ASN 92 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3k9x n ARG 93 N -1.81 1.50 -1.62 -3.83 1.74 -1.26 -4.94 116.66 106.44 3k9x n ARG 93 Ca 0.03 -0.73 -0.52 0.00 -0.77 0.00 0.00 57.85 55.85 3k9x n ARG 93 Cb 0.17 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 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 -0.09 1.71 -3.91 -1.55 7.35 -0.77 -4.69 117.46 115.51 3k9x n PHE 94 Ca 0.19 0.56 -0.35 0.00 -0.76 0.00 0.00 57.45 57.09 3k9x n PHE 94 Cb 0.28 -2.38 -0.14 0.00 0.35 0.00 0.00 39.48 37.59 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 1.14 3.05 0.39 -2.13 2.01 -0.62 -5.00 115.64 114.49 3k9x s THR 95 Ca 0.86 -1.20 0.09 0.00 0.31 0.00 0.00 61.69 61.75 3k9x s THR 95 Cb -0.94 -2.67 0.19 0.00 0.01 0.00 0.00 72.50 69.09 3k9x s THR 95 CO 0.49 0.01 1.96 0.11 -0.69 0.00 0.00 174.62 176.50 3k9x h LYS 96 N 8.03 0.34 -0.02 4.92 1.57 -1.91 0.29 116.57 129.79 3k9x h LYS 96 Ca -0.26 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 3k9x h LYS 96 Cb 1.08 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 3k9x h LYS 96 CO 0.55 0.37 -0.66 0.93 -0.57 0.00 0.00 179.45 180.08 3k9x h GLU 97 N 0.34 0.08 0.00 3.15 3.07 -1.98 -3.35 114.58 115.89 3k9x h GLU 97 Ca 0.08 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3k9x h GLU 97 Cb 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.15 3k9x h GLU 97 CO 0.01 0.71 -0.60 0.25 -1.40 0.00 0.00 179.01 177.97 3k9x n THR 98 N -3.79 0.00 -1.73 1.13 -2.24 -0.97 -5.01 114.28 101.68 3k9x n THR 98 Ca -0.02 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 3k9x n THR 98 Cb 0.65 0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 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 -1.30 -0.21 -2.12 4.78 4.02 0.97 -4.98 117.16 118.31 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 0.01 -3.19 -0.00 0.00 -0.02 0.00 0.00 39.34 36.14 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 -2.66 6.15 -1.15 7.72 2.15 -1.25 -3.02 116.67 124.62 3k9x s ASP 100 Ca 0.00 2.50 -0.07 0.00 0.43 0.00 0.00 52.55 55.41 3k9x s ASP 100 Cb 0.00 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 40.01 3k9x s ASP 100 CO 0.00 -0.94 0.95 0.49 -0.17 0.00 0.00 175.17 175.49 3k9x n PHE 101 N -0.25 -2.35 -2.69 -5.34 3.01 -1.26 -1.59 117.46 107.00 3k9x n PHE 101 Ca 0.06 0.81 -0.43 0.00 1.01 0.00 0.00 57.45 58.90 3k9x n PHE 101 Cb 0.46 -4.34 0.00 0.00 -0.01 0.00 0.00 39.48 35.59 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 -2.23 5.02 -3.70 4.37 4.64 -1.17 -3.96 116.55 119.53 3k9x n ASP 102 Ca -0.00 -2.94 -0.13 0.00 -1.38 0.00 0.00 54.79 50.34 3k9x n ASP 102 Cb 0.55 -1.68 -0.09 0.00 -1.04 0.00 0.00 41.12 38.86 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 3.24 -0.00 0.07 5.18 2.07 -1.26 -3.94 121.20 126.55 3k9x s ILE 103 Ca 0.50 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.63 3k9x s ILE 103 Cb 0.02 -0.71 0.01 0.00 0.13 0.00 0.00 42.46 41.91 3k9x s ILE 103 CO 0.05 0.00 0.26 0.00 -1.91 0.00 0.00 174.94 173.34 3k9x s ALA 104 N 0.40 -0.50 0.03 1.50 0.00 -0.53 -1.76 121.76 120.91 3k9x s ALA 104 Ca -0.01 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.74 3k9x s ALA 104 Cb -0.04 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 3k9x s ALA 104 CO -0.01 -0.47 -0.20 0.08 0.00 0.00 0.00 175.76 175.15 3k9x s VAL 105 N -3.21 1.64 -0.15 0.00 1.01 0.23 -1.08 120.40 118.84 3k9x s VAL 105 Ca -0.00 -1.12 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 3k9x s VAL 105 Cb 0.02 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 3k9x s VAL 105 CO -0.07 0.25 -0.11 -0.76 0.00 0.00 0.00 175.10 174.41 3k9x s LEU 106 N -1.03 2.77 -0.21 3.92 1.43 0.33 -0.33 118.68 125.56 3k9x s LEU 106 Ca 0.07 -0.34 -0.14 0.00 -1.03 0.00 0.00 54.13 52.70 3k9x s LEU 106 Cb -0.09 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 3k9x s LEU 106 CO 0.01 0.12 0.29 -0.60 0.23 0.00 0.00 176.35 176.40 3k9x s ARG 107 N 0.63 4.16 0.35 1.70 3.52 -0.42 -1.46 118.95 127.43 3k9x s ARG 107 Ca -0.06 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.37 3k9x s ARG 107 Cb -0.15 -3.51 -0.10 0.00 -1.56 0.00 0.00 34.95 29.63 3k9x s ARG 107 CO 0.03 0.06 0.82 -0.51 -0.81 0.00 0.00 175.30 174.88 3k9x s LEU 108 N 1.03 4.06 0.24 -0.88 1.43 -0.07 0.37 118.68 124.85 3k9x s LEU 108 Ca 0.14 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.69 3k9x s LEU 108 Cb -0.14 -4.19 0.26 0.00 0.03 0.00 0.00 46.19 42.15 3k9x s LEU 108 CO 0.06 -0.23 1.64 0.11 0.23 0.00 0.00 176.35 178.16 3k9x h LYS 109 N 2.28 0.62 -5.71 1.70 1.57 -1.30 -3.42 116.57 112.32 3k9x h LYS 109 Ca -0.48 -0.26 -0.49 0.00 -1.87 0.00 0.00 60.65 57.54 3k9x h LYS 109 Cb 1.18 -0.02 -0.23 0.00 0.08 0.00 0.00 32.23 33.24 3k9x h LYS 109 CO 0.64 0.84 -0.81 0.95 -0.57 0.00 0.00 179.45 180.50 3k9x s THR 110 N -4.46 1.38 0.51 -0.16 -4.23 -1.26 -5.02 115.64 102.40 3k9x s THR 110 Ca -0.08 -1.30 -0.18 0.00 -1.18 0.00 0.00 61.69 58.95 3k9x s THR 110 Cb 0.13 -1.27 -0.08 0.00 1.34 0.00 0.00 72.50 72.63 3k9x s THR 110 CO 0.82 -0.06 1.01 -2.16 -0.54 0.00 0.00 174.62 173.69 3k9x s PRO 111 N -1.57 3.80 0.13 3.99 0.04 -1.26 -4.90 135.00 135.23 3k9x s PRO 111 Ca 0.03 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 3k9x s PRO 111 Cb -0.09 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3k9x s PRO 111 CO 0.03 -0.41 1.05 0.42 0.04 0.00 0.00 177.00 178.13 3k9x s ILE 112 N -2.31 4.19 -0.28 0.56 1.01 0.46 -5.02 121.20 119.81 3k9x s ILE 112 Ca 0.63 1.81 -0.20 0.00 0.00 0.00 0.00 60.65 62.89 3k9x s ILE 112 Cb -0.13 -4.15 -0.01 0.00 0.01 0.00 0.00 42.46 38.17 3k9x s ILE 112 CO 0.26 0.27 0.62 0.42 0.00 0.00 0.00 174.94 176.51 3k9x s THR 113 N 0.06 4.97 0.36 2.92 -4.23 -1.26 -4.71 115.64 113.74 3k9x s THR 113 Ca 0.49 0.96 -0.26 0.00 -1.18 0.00 0.00 61.69 61.71 3k9x s THR 113 Cb -0.27 -3.96 -0.09 0.00 1.34 0.00 0.00 72.50 69.53 3k9x s THR 113 CO 0.32 -0.05 1.06 -0.36 -0.54 0.00 0.00 174.62 175.05 3k9x s PHE 114 N 2.54 3.38 0.14 3.99 0.08 -1.26 -4.94 117.98 121.91 3k9x s PHE 114 Ca 0.25 1.67 -0.10 0.00 0.12 0.00 0.00 56.93 58.87 3k9x s PHE 114 Cb -0.15 -3.17 0.04 0.00 -0.57 0.00 0.00 43.02 39.16 3k9x s PHE 114 CO 0.10 -0.57 0.49 2.89 -0.10 0.00 0.00 175.22 178.03 3k9x n ARG 115 N 0.36 0.44 -1.62 0.44 1.85 -0.70 -5.02 116.66 112.41 3k9x n ARG 115 Ca 0.03 -0.93 -0.49 0.00 -1.00 0.00 0.00 57.85 55.46 3k9x n ARG 115 Cb 0.48 1.21 -0.05 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 -0.34 1.57 -0.99 2.89 0.00 -1.26 -1.24 117.12 117.75 3k9x n MET 116 Ca -0.03 0.56 0.00 0.00 -0.00 0.00 0.00 57.70 58.24 3k9x n MET 116 Cb 0.31 -2.26 0.00 0.00 0.00 0.00 0.00 33.22 31.27 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 2.89 -3.64 -3.48 6.12 3.02 -1.26 -4.97 115.26 113.93 3k9x n ASN 117 Ca 0.18 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.48 3k9x n ASN 117 Cb 0.23 -1.44 -0.13 0.00 -0.61 0.00 0.00 39.78 37.84 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 -1.79 -0.19 0.02 2.41 1.01 -0.37 -4.08 120.40 117.42 3k9x s VAL 118 Ca 0.00 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 3k9x s VAL 118 Cb 0.00 -0.98 0.08 0.00 0.00 0.00 0.00 36.38 35.47 3k9x s VAL 118 CO 0.00 -0.64 0.68 0.00 0.00 0.00 0.00 175.10 175.14 3k9x s ALA 119 N 2.14 -1.72 0.46 5.51 0.00 -1.00 -1.73 121.76 125.42 3k9x s ALA 119 Ca 0.10 1.02 -0.14 0.00 0.00 0.00 0.00 51.96 52.93 3k9x s ALA 119 Cb -0.15 0.30 -0.07 0.00 0.00 0.00 0.00 23.12 23.19 3k9x s ALA 119 CO -0.33 -0.53 0.88 -1.25 0.00 0.00 0.00 175.76 174.53 3k9x s PRO 120 N -2.23 3.88 0.36 0.00 0.04 -1.26 -2.52 135.00 133.27 3k9x s PRO 120 Ca -0.05 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 61.62 3k9x s PRO 120 Cb -0.00 -2.26 -0.07 0.00 0.04 0.00 0.00 34.50 32.21 3k9x s PRO 120 CO -0.00 -0.15 0.72 0.00 0.04 0.00 0.00 177.00 177.61 3k9x s ALA 121 N -2.48 3.39 0.21 8.56 0.00 -0.35 -4.89 121.76 126.21 3k9x s ALA 121 Ca 0.55 -0.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 3k9x s ALA 121 Cb -0.10 -2.65 -0.08 0.00 0.00 0.00 0.00 23.12 20.28 3k9x s ALA 121 CO 0.30 0.13 0.93 0.00 0.00 0.00 0.00 175.76 177.12 3k9x s LEU 123 N -0.98 4.24 0.67 0.00 1.43 -1.26 -1.00 118.68 121.78 3k9x s LEU 123 Ca 0.42 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 54.38 3k9x s LEU 123 Cb -0.25 -2.93 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3k9x s LEU 123 CO 0.31 -0.16 1.06 -2.16 0.23 0.00 0.00 176.35 175.63 3k9x s PRO 124 N 1.23 3.14 0.53 1.29 0.04 -1.26 -4.99 135.00 134.98 3k9x s PRO 124 Ca 0.32 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 3k9x s PRO 124 Cb -0.16 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.28 3k9x s PRO 124 CO 0.13 -0.89 1.10 -1.21 0.04 0.00 0.00 177.00 176.17 3k9x s GLU 124 N -5.20 3.48 0.04 4.56 2.02 -1.26 -4.95 118.70 117.39 3k9x s GLU 124 Ca 0.57 1.52 -0.27 0.00 0.02 0.00 0.00 54.97 56.81 3k9x s GLU 124 Cb -0.12 -2.03 -0.17 0.00 0.10 0.00 0.00 34.13 31.91 3k9x s GLU 124 CO 0.54 -0.73 1.42 -0.09 0.02 0.00 0.00 175.26 176.42 3k9x h ARG 125 N 1.27 -0.43 -0.57 1.61 2.43 -1.98 -1.35 114.38 115.36 3k9x h ARG 125 Ca -0.50 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3k9x h ARG 125 Cb 1.25 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 3k9x h ARG 125 CO 0.57 -0.17 0.34 -0.44 -1.51 0.00 0.00 179.97 178.77 3k9x h ASP 126 N -0.65 0.68 -0.46 -3.80 3.32 -1.96 0.78 116.42 114.33 3k9x h ASP 126 Ca -0.05 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 3k9x h ASP 126 Cb 0.46 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3k9x h ASP 126 CO 0.08 0.54 0.24 -0.25 -1.72 0.00 0.00 179.24 178.12 3k9x h TRP 127 N 0.77 0.64 -0.67 4.55 7.01 -1.98 -0.55 115.95 125.71 3k9x h TRP 127 Ca 0.20 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 3k9x h TRP 127 Cb -0.02 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 26.81 3k9x h TRP 127 CO -0.02 0.50 0.40 0.00 -2.79 0.00 0.00 178.44 176.53 3k9x h ALA 128 N 1.08 0.86 -0.63 2.65 0.00 -0.62 0.20 119.26 122.79 3k9x h ALA 128 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k9x h ALA 128 Cb 0.09 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3k9x h ALA 128 CO -0.02 0.34 0.38 0.93 0.00 0.00 0.00 179.25 180.87 3k9x h GLU 129 N 0.92 0.87 0.01 0.00 5.08 -0.36 -0.92 114.58 120.16 3k9x h GLU 129 Ca 0.24 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.33 3k9x h GLU 129 Cb -0.01 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 3k9x h GLU 129 CO -0.04 0.63 -0.87 0.66 -1.00 0.00 0.00 179.01 178.39 3k9x h SER 130 N 0.86 0.09 0.00 1.42 4.64 -0.83 -3.37 113.55 116.36 3k9x h SER 130 Ca 0.23 -0.08 -0.05 0.00 -0.47 0.00 0.00 61.79 61.42 3k9x h SER 130 Cb -0.01 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3k9x h SER 130 CO -0.04 0.91 -1.19 0.41 -0.87 0.00 0.00 176.83 176.05 3k9x n THR 131 N -3.57 0.19 -0.14 2.95 -1.04 0.66 -4.49 114.28 108.84 3k9x n THR 131 Ca -0.02 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 3k9x n THR 131 Cb 0.81 -0.90 -0.10 0.00 -1.82 0.00 0.00 70.33 68.32 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 -2.09 1.96 0.00 -4.42 4.77 -0.49 -4.36 117.00 112.37 3k9x n LEU 131 Ca -0.04 0.31 0.06 0.00 -0.03 0.00 0.00 56.01 56.31 3k9x n LEU 131 Cb 0.58 -0.81 0.29 0.00 -2.33 0.00 0.00 43.42 41.15 3k9x n LEU 131 CO 0.06 0.58 0.67 0.23 -1.33 0.00 0.00 177.39 177.61 3k9x n MET 131 N -4.19 0.09 0.00 3.23 2.81 -0.47 -1.60 117.12 116.99 3k9x n MET 131 Ca -0.54 0.23 0.11 0.00 -1.81 0.00 0.00 57.70 55.70 3k9x n MET 131 Cb 0.89 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.94 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 -1.39 0.00 -1.43 2.03 -2.24 -1.26 -4.95 114.28 105.03 3k9x n THR 132 Ca 0.04 -0.37 -0.29 0.00 -2.27 0.00 0.00 64.05 61.16 3k9x n THR 132 Cb 0.12 1.37 0.13 0.00 -2.10 0.00 0.00 70.33 69.85 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 -2.25 1.27 0.09 -0.78 -0.21 -0.62 -4.99 119.66 112.16 3k9x s GLN 133 Ca 0.23 0.48 -0.15 0.00 0.02 0.00 0.00 55.36 55.95 3k9x s GLN 133 Cb 0.19 -1.84 -0.11 0.00 1.00 0.00 0.00 33.01 32.25 3k9x s GLN 133 CO 0.45 -2.15 1.37 0.87 -2.12 0.00 0.00 175.29 173.71 3k9x h LYS 134 N -1.47 0.70 -4.49 2.91 6.56 -1.92 -3.42 116.57 115.43 3k9x h LYS 134 Ca -0.50 -0.43 -0.19 0.00 -1.06 0.00 0.00 60.65 58.46 3k9x h LYS 134 Cb 1.31 0.04 -0.15 0.00 -0.57 0.00 0.00 32.23 32.87 3k9x h LYS 134 CO 0.60 1.05 -0.67 0.95 -2.06 0.00 0.00 179.45 179.31 3k9x s THR 135 N -4.15 0.39 0.35 -0.16 -4.23 -1.26 -0.40 115.64 106.18 3k9x s THR 135 Ca -0.12 -1.90 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3k9x s THR 135 Cb 0.08 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.11 3k9x s THR 135 CO 0.84 -0.74 0.11 0.61 -0.54 0.00 0.00 174.62 174.90 3k9x n GLY 136 N -0.04 3.42 3.07 3.99 0.00 -0.75 -4.72 105.19 110.16 3k9x n GLY 136 Ca -0.10 -2.12 -0.25 0.00 0.00 0.00 0.00 46.02 43.56 3k9x n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k9x s ILE 137 N -2.78 1.24 0.07 -0.61 1.09 0.03 -0.68 121.20 119.56 3k9x s ILE 137 Ca 0.15 -0.58 0.05 0.00 -1.10 0.00 0.00 60.65 59.17 3k9x s ILE 137 Cb 0.01 -1.09 -0.04 0.00 -1.06 0.00 0.00 42.46 40.28 3k9x s ILE 137 CO 0.11 0.37 -0.05 0.54 -0.10 0.00 0.00 174.94 175.81 3k9x s VAL 138 N 0.31 3.74 0.05 2.92 0.11 -0.22 -1.14 120.40 126.17 3k9x s VAL 138 Ca -0.08 -1.01 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 3k9x s VAL 138 Cb -0.13 -2.73 -0.03 0.00 -1.53 0.00 0.00 36.38 31.96 3k9x s VAL 138 CO 0.03 0.19 0.03 -0.94 -3.33 0.00 0.00 175.10 171.08 3k9x s SER 139 N -2.04 0.36 0.00 3.54 1.04 -1.10 -0.19 113.70 115.31 3k9x s SER 139 Ca 0.22 -0.84 0.00 0.00 0.48 0.00 0.00 55.95 55.82 3k9x s SER 139 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3k9x s SER 139 CO 0.14 -0.59 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3k9x n GLY 140 N 0.26 -1.90 1.31 7.32 0.00 -0.65 -4.29 105.19 107.26 3k9x n GLY 140 Ca -0.16 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 44.80 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 1.47 1.31 -0.72 1.61 3.72 -1.26 -2.05 117.46 121.53 3k9x n PHE 141 Ca 0.00 -0.70 -0.20 0.00 -0.05 0.00 0.00 57.45 56.50 3k9x n PHE 141 Cb 0.00 -0.29 0.17 0.00 -0.94 0.00 0.00 39.48 38.42 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 0.45 -2.90 3.69 1.37 0.00 -1.25 -2.09 105.19 104.46 3k9x n GLY 142 Ca 0.23 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 3k9x n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k9x n ARG 143 N -3.88 1.62 0.00 1.61 1.74 0.40 -1.72 116.66 116.43 3k9x n ARG 143 Ca 0.10 0.59 0.11 0.00 -0.77 0.00 0.00 57.85 57.88 3k9x n ARG 143 Cb 0.39 -2.37 0.10 0.00 -1.02 0.00 0.00 32.46 29.56 3k9x n ARG 143 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3k9x n THR 144 N -0.75 0.00 -3.86 0.55 -2.24 -0.70 -0.57 114.28 106.71 3k9x n THR 144 Ca 0.09 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 3k9x n THR 144 Cb 0.42 0.86 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 3k9x n THR 144 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3k9x s HIS 145 N -2.66 0.07 0.21 4.78 3.76 -1.26 -4.26 115.29 115.93 3k9x s HIS 145 Ca 0.17 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.68 3k9x s HIS 145 Cb 0.18 -0.05 0.28 0.00 1.11 0.00 0.00 32.58 34.10 3k9x s HIS 145 CO 0.64 -0.41 1.71 1.49 -0.85 0.00 0.00 174.74 177.32 3k9x h GLU 147 N 3.54 0.27 -3.72 1.40 4.81 -1.90 -2.99 114.58 115.99 3k9x h GLU 147 Ca -0.32 -0.02 -0.73 0.00 -0.13 0.00 0.00 59.36 58.16 3k9x h GLU 147 Cb 1.19 -0.06 -0.31 0.00 0.63 0.00 0.00 28.75 30.19 3k9x h GLU 147 CO 0.48 0.18 -0.20 0.15 -0.73 0.00 0.00 179.01 178.89 3k9x s LYS 148 N -6.11 2.95 0.17 1.92 3.01 -1.26 -4.92 119.74 115.49 3k9x s LYS 148 Ca -0.13 -2.46 -0.23 0.00 -1.01 0.00 0.00 55.97 52.14 3k9x s LYS 148 Cb 0.17 -4.00 0.08 0.00 -1.01 0.00 0.00 37.83 33.07 3k9x s LYS 148 CO 0.74 -1.22 1.03 0.20 0.51 0.00 0.00 175.35 176.61 3k9x s GLY 149 N 1.36 -0.01 0.30 -3.33 0.00 -1.13 -5.07 107.32 99.45 3k9x s GLY 149 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 44.72 44.72 3k9x s GLY 149 CO -0.05 1.62 0.51 0.50 0.00 0.00 0.00 173.10 175.68 3k9x s ARG 150 N -2.50 3.52 0.45 2.90 3.00 -1.26 -4.82 118.95 120.25 3k9x s ARG 150 Ca 0.19 -0.27 -0.24 0.00 0.00 0.00 0.00 55.73 55.40 3k9x s ARG 150 Cb -0.02 -2.70 -0.09 0.00 0.00 0.00 0.00 34.95 32.14 3k9x s ARG 150 CO 0.04 0.22 1.27 1.04 0.00 0.00 0.00 175.30 177.87 3k9x n GLN 151 N -1.36 1.83 -2.10 3.54 6.02 -1.26 -1.72 117.38 122.33 3k9x n GLN 151 Ca -0.04 0.66 -0.40 0.00 -0.01 0.00 0.00 57.00 57.21 3k9x n GLN 151 Cb 0.55 -2.40 -0.01 0.00 1.02 0.00 0.00 30.24 29.40 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 -0.63 6.44 0.00 1.08 0.15 -0.70 -4.84 113.70 115.20 3k9x s SER 152 Ca 0.63 2.62 0.26 0.00 0.70 0.00 0.00 55.95 60.16 3k9x s SER 152 Cb -0.49 -2.64 0.68 0.00 -1.71 0.00 0.00 66.02 61.86 3k9x s SER 152 CO 0.56 -0.76 1.52 0.35 1.20 0.00 0.00 173.24 176.11 3k9x n THR 153 N 0.27 0.00 -4.93 6.45 -2.24 -1.26 -4.74 114.28 107.83 3k9x n THR 153 Ca 0.03 -0.12 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 3k9x n THR 153 Cb 0.44 0.43 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 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 -2.56 2.94 0.17 -0.78 0.52 -1.26 -0.37 118.95 117.61 3k9x s ARG 154 Ca 0.22 -0.74 -0.32 0.00 -0.52 0.00 0.00 55.73 54.38 3k9x s ARG 154 Cb 0.19 -2.45 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 3k9x s ARG 154 CO 0.55 0.37 1.75 -1.17 0.02 0.00 0.00 175.30 176.82 3k9x s LEU 155 N -0.08 4.38 0.28 2.53 2.96 -0.07 -4.71 118.68 123.97 3k9x s LEU 155 Ca -0.03 2.79 0.12 0.00 -0.22 0.00 0.00 54.13 56.79 3k9x s LEU 155 Cb -0.14 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3k9x s LEU 155 CO 0.04 -0.97 -0.19 -0.54 -1.32 0.00 0.00 176.35 173.37 3k9x s LYS 156 N 1.86 1.68 0.14 1.98 1.02 -0.87 -1.08 119.74 124.47 3k9x s LYS 156 Ca 0.77 -1.78 0.05 0.00 0.02 0.00 0.00 55.97 55.03 3k9x s LYS 156 Cb -0.47 -1.76 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 3k9x s LYS 156 CO 0.34 0.32 -0.11 0.00 -0.92 0.00 0.00 175.35 174.98 3k9x s MET 157 N -3.52 1.04 -0.08 1.68 0.23 -0.11 -1.63 119.30 116.91 3k9x s MET 157 Ca 0.30 -1.39 -0.04 0.00 -1.03 0.00 0.00 55.69 53.53 3k9x s MET 157 Cb -0.05 -0.67 0.04 0.00 -1.53 0.00 0.00 34.83 32.63 3k9x s MET 157 CO 0.15 0.09 0.18 -1.17 -2.03 0.00 0.00 175.02 172.24 3k9x s LEU 158 N -2.99 0.53 -0.04 0.18 0.20 0.74 -1.87 118.68 115.43 3k9x s LEU 158 Ca 0.15 0.38 -0.30 0.00 0.69 0.00 0.00 54.13 55.04 3k9x s LEU 158 Cb 0.01 0.47 -0.03 0.00 -0.43 0.00 0.00 46.19 46.21 3k9x s LEU 158 CO 0.01 -0.16 1.09 -0.70 -0.29 0.00 0.00 176.35 176.29 3k9x s GLU 159 N 1.33 4.44 -0.10 1.98 2.12 -1.26 -1.06 118.70 126.15 3k9x s GLU 159 Ca -0.08 1.54 0.01 0.00 0.36 0.00 0.00 54.97 56.80 3k9x s GLU 159 Cb -0.11 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 30.81 3k9x s GLU 159 CO -0.07 -0.27 -0.10 0.14 -0.54 0.00 0.00 175.26 174.42 3k9x s VAL 160 N 1.65 1.13 0.44 3.70 -7.23 0.15 -4.99 120.40 115.25 3k9x s VAL 160 Ca 0.53 -0.39 -0.24 0.00 -1.81 0.00 0.00 61.98 60.07 3k9x s VAL 160 Cb -0.23 -1.10 -0.08 0.00 0.56 0.00 0.00 36.38 35.54 3k9x s VAL 160 CO 0.24 0.38 1.25 -2.84 -0.31 0.00 0.00 175.10 173.81 3k9x s PRO 161 N 1.35 3.79 0.50 4.82 0.02 -1.26 -1.81 135.00 142.42 3k9x s PRO 161 Ca -0.01 2.01 -0.22 0.00 0.02 0.00 0.00 61.00 62.80 3k9x s PRO 161 Cb -0.14 -2.57 -0.06 0.00 0.02 0.00 0.00 34.50 31.75 3k9x s PRO 161 CO -0.05 -0.59 1.19 0.71 -0.33 0.00 0.00 177.00 177.94 3k9x s TYR 162 N -1.37 2.70 -0.08 6.54 2.02 0.47 -0.90 117.35 126.73 3k9x s TYR 162 Ca 0.61 1.51 0.04 0.00 -0.37 0.00 0.00 57.07 58.86 3k9x s TYR 162 Cb -0.35 -3.44 -0.00 0.00 -0.40 0.00 0.00 41.96 37.77 3k9x s TYR 162 CO 0.43 -1.81 -0.22 0.08 -1.57 0.00 0.00 175.55 172.47 3k9x s VAL 163 N -1.55 1.85 0.64 0.71 1.01 -0.92 -4.90 120.40 117.24 3k9x s VAL 163 Ca 0.68 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3k9x s VAL 163 Cb -0.30 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.48 3k9x s VAL 163 CO 0.35 0.51 1.17 1.51 0.00 0.00 0.00 175.10 178.65 3k9x s ASP 164 N 0.22 4.99 0.22 3.32 1.47 -1.26 -4.45 116.67 121.18 3k9x s ASP 164 Ca -0.13 2.24 -0.08 0.00 1.18 0.00 0.00 52.55 55.76 3k9x s ASP 164 Cb -0.16 -2.58 0.32 0.00 -0.34 0.00 0.00 42.92 40.16 3k9x s ASP 164 CO 0.06 -1.72 1.74 -0.09 0.68 0.00 0.00 175.17 175.84 3k9x h ARG 165 N 0.40 0.41 0.05 2.11 2.43 -1.99 -1.01 114.38 116.79 3k9x h ARG 165 Ca -0.49 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3k9x h ARG 165 Cb 1.28 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 3k9x h ARG 165 CO 0.54 0.27 -0.16 -0.97 -1.51 0.00 0.00 179.97 178.14 3k9x h ASN 166 N 0.42 -0.45 -0.66 -3.80 -1.24 -2.00 0.08 115.58 107.94 3k9x h ASN 166 Ca 0.33 0.06 0.00 0.00 0.71 0.00 0.00 56.30 57.40 3k9x h ASN 166 Cb 0.43 0.18 -0.03 0.00 0.73 0.00 0.00 38.32 39.62 3k9x h ASN 166 CO -0.33 -0.23 0.43 0.28 -1.29 0.00 0.00 177.43 176.30 3k9x h SER 167 N -0.29 0.76 -0.02 1.15 0.02 -1.77 -1.89 113.55 111.52 3k9x h SER 167 Ca 0.04 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3k9x h SER 167 Cb 0.33 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3k9x h SER 167 CO -0.12 0.56 0.01 0.00 -1.14 0.00 0.00 176.83 176.14 3k9x h LYS 169 N -0.15 0.59 -0.37 0.00 1.57 -0.58 -2.58 116.57 115.06 3k9x h LYS 169 Ca 0.01 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 3k9x h LYS 169 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3k9x h LYS 169 CO -0.00 0.46 0.01 -0.07 -0.57 0.00 0.00 179.45 179.28 3k9x h LEU 170 N 0.56 0.53 -1.98 2.94 3.38 -1.31 -2.52 115.31 116.92 3k9x h LEU 170 Ca 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3k9x h LEU 170 Cb 0.03 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3k9x h LEU 170 CO -0.03 0.59 0.00 0.77 0.09 0.00 0.00 178.44 179.87 3k9x h SER 171 N 0.54 0.00 -3.42 -0.43 4.64 -0.85 -3.46 113.55 110.56 3k9x h SER 171 Ca 0.12 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.76 3k9x h SER 171 Cb 0.33 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.27 3k9x h SER 171 CO 0.01 0.00 -0.65 -0.55 -0.87 0.00 0.00 176.83 174.77 3k9x s SER 172 N -5.42 5.04 0.13 4.97 0.15 -0.95 -4.76 113.70 112.87 3k9x s SER 172 Ca -0.01 0.05 0.27 0.00 0.70 0.00 0.00 55.95 56.96 3k9x s SER 172 Cb 0.10 -1.34 0.92 0.00 -1.71 0.00 0.00 66.02 63.99 3k9x s SER 172 CO 0.48 0.34 1.80 -1.20 1.20 0.00 0.00 173.24 175.86 3k9x n SER 173 N 1.89 0.53 -4.48 5.45 7.64 -1.26 -4.87 113.62 118.52 3k9x n SER 173 Ca -0.17 0.51 -0.24 0.00 1.01 0.00 0.00 58.87 59.98 3k9x n SER 173 Cb 0.53 -0.63 -0.10 0.00 -1.01 0.00 0.00 64.21 63.00 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 -3.07 2.31 0.27 1.43 0.08 -1.26 -5.09 117.98 112.66 3k9x s PHE 174 Ca 0.12 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 3k9x s PHE 174 Cb 0.15 -1.03 -0.11 0.00 -0.57 0.00 0.00 43.02 41.46 3k9x s PHE 174 CO 0.58 0.71 1.52 0.42 -0.10 0.00 0.00 175.22 178.35 3k9x s ILE 175 N -2.51 2.33 -0.37 0.64 -1.09 -1.26 -4.97 121.20 113.97 3k9x s ILE 175 Ca 0.30 0.28 -0.14 0.00 -2.23 0.00 0.00 60.65 58.86 3k9x s ILE 175 Cb -0.04 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.66 3k9x s ILE 175 CO 0.15 0.05 0.27 -0.63 -1.23 0.00 0.00 174.94 173.55 3k9x s ILE 176 N -0.01 5.27 0.68 2.92 -1.09 -1.26 -5.05 121.20 122.66 3k9x s ILE 176 Ca 0.61 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 58.54 3k9x s ILE 176 Cb -0.45 -3.82 0.06 0.00 -1.58 0.00 0.00 42.46 36.67 3k9x s ILE 176 CO 0.46 -0.16 0.98 0.42 -1.23 0.00 0.00 174.94 175.41 3k9x s THR 177 N 1.70 2.33 -0.02 2.92 -4.23 -1.26 -4.94 115.64 112.14 3k9x s THR 177 Ca 0.06 -0.34 0.29 0.00 -1.18 0.00 0.00 61.69 60.52 3k9x s THR 177 Cb -0.18 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 70.96 3k9x s THR 177 CO 0.10 0.00 1.88 0.06 -0.54 0.00 0.00 174.62 176.12 3k9x h GLN 178 N -0.50 0.00 -0.62 3.99 3.07 -2.03 -2.13 115.11 116.89 3k9x h GLN 178 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 3k9x h GLN 178 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.87 3k9x h GLN 178 CO 0.58 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.59 3k9x n ASN 179 N -2.55 1.47 -4.16 0.06 3.02 -1.26 -4.87 115.26 106.97 3k9x n ASN 179 Ca -0.01 -2.11 -0.12 0.00 -0.03 0.00 0.00 54.58 52.32 3k9x n ASN 179 Cb 0.12 -0.36 -0.10 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.52 0.80 0.14 3.52 -1.94 -0.80 -0.60 119.30 118.89 3k9x s MET 180 Ca 0.10 -1.22 -0.07 0.00 -1.71 0.00 0.00 55.69 52.80 3k9x s MET 180 Cb 0.07 -0.29 -0.02 0.00 2.01 0.00 0.00 34.83 36.60 3k9x s MET 180 CO 0.04 0.01 0.20 -0.59 -0.01 0.00 0.00 175.02 174.67 3k9x s PHE 181 N -3.04 0.46 0.01 -0.03 -0.12 -0.03 -4.76 117.98 110.47 3k9x s PHE 181 Ca 0.07 -0.85 -0.06 0.00 -0.05 0.00 0.00 56.93 56.05 3k9x s PHE 181 Cb 0.01 -0.17 -0.05 0.00 -0.63 0.00 0.00 43.02 42.19 3k9x s PHE 181 CO -0.03 -0.62 0.26 0.00 -0.05 0.00 0.00 175.22 174.78 3k9x s ALA 183 N -1.32 -0.69 0.00 0.00 0.00 -0.62 -2.16 121.76 116.98 3k9x s ALA 183 Ca 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3k9x s ALA 183 Cb -0.13 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3k9x s ALA 183 CO 0.17 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.90 3k9x n GLY 184 N 0.49 0.56 3.25 0.00 0.00 -0.07 -1.60 105.19 107.82 3k9x n GLY 184 Ca -0.18 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.36 1.72 0.03 1.61 1.51 -1.26 -4.06 117.35 115.54 3k9x s TYR 185 Ca 0.00 -0.39 -0.27 0.00 -1.01 0.00 0.00 57.07 55.40 3k9x s TYR 185 Cb 0.00 -0.99 -0.17 0.00 -0.11 0.00 0.00 41.96 40.69 3k9x s TYR 185 CO 0.00 0.13 1.40 0.22 -1.11 0.00 0.00 175.55 176.19 3k9x h ASP 185 N 4.57 -0.40 0.00 2.29 -0.00 -1.92 -3.42 116.42 117.53 3k9x h ASP 185 Ca -0.43 -0.11 0.00 0.00 -0.00 0.00 0.00 57.03 56.49 3k9x h ASP 185 Cb 1.17 0.10 0.00 0.00 -0.00 0.00 0.00 39.33 40.60 3k9x h ASP 185 CO 0.42 -0.12 -0.53 0.35 -0.00 0.00 0.00 179.24 179.36 3k9x n THR 185 N -5.21 0.00 -1.70 2.25 -2.24 -1.26 -1.56 114.28 104.57 3k9x n THR 185 Ca -0.10 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3k9x n THR 185 Cb 0.26 0.39 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 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 -0.87 2.12 -1.87 -0.78 4.81 -1.26 -4.80 118.16 115.51 3k9x n LYS 186 Ca 0.00 0.74 -0.40 0.00 -0.87 0.00 0.00 58.31 57.78 3k9x n LYS 186 Cb 0.00 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 32.72 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 0.60 4.01 -3.83 1.64 1.13 -1.26 -4.74 117.38 114.92 3k9x n GLN 187 Ca 0.05 -3.08 -0.13 0.00 -1.94 0.00 0.00 57.00 51.90 3k9x n GLN 187 Cb 0.36 -2.80 -0.14 0.00 0.11 0.00 0.00 30.24 27.77 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 0.41 0.02 0.15 -1.09 2.02 -1.26 -4.36 118.70 114.59 3k9x s GLU 188 Ca 0.54 0.11 -0.25 0.00 0.02 0.00 0.00 54.97 55.39 3k9x s GLU 188 Cb 0.16 -0.08 0.07 0.00 0.10 0.00 0.00 34.13 34.39 3k9x s GLU 188 CO -0.06 -0.06 1.00 0.34 0.02 0.00 0.00 175.26 176.49 3k9x s ASP 189 N 0.41 -0.12 0.93 -0.19 3.68 -0.51 -4.45 116.67 116.43 3k9x s ASP 189 Ca -0.03 -0.47 -0.13 0.00 2.13 0.00 0.00 52.55 54.05 3k9x s ASP 189 Cb -0.05 0.47 0.15 0.00 -1.45 0.00 0.00 42.92 42.04 3k9x s ASP 189 CO -0.01 -0.89 1.14 0.00 0.13 0.00 0.00 175.17 175.54 3k9x s ALA 190 N -2.92 1.71 0.33 3.66 0.00 -1.26 0.17 121.76 123.44 3k9x s ALA 190 Ca 0.15 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.39 3k9x s ALA 190 Cb -0.01 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.12 3k9x s ALA 190 CO 0.03 -2.37 0.68 0.00 0.00 0.00 0.00 175.76 174.10 3k9x n GLN 192 N -0.49 1.55 0.00 0.00 6.02 -1.26 -1.17 117.38 122.03 3k9x n GLN 192 Ca -0.05 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.49 3k9x n GLN 192 Cb 0.60 -2.07 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3k9x n GLN 192 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3k9x n GLY 193 N 1.08 3.34 0.16 1.08 0.00 -1.26 -0.45 105.19 109.13 3k9x n GLY 193 Ca 0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.24 1.61 3.45 -1.45 -3.33 116.42 114.45 3k9x h ASP 194 Ca 0.00 -0.00 -0.61 0.00 0.43 0.00 0.00 57.03 56.84 3k9x h ASP 194 Cb 0.00 0.00 0.12 0.00 -0.56 0.00 0.00 39.33 38.89 3k9x h ASP 194 CO 0.00 0.00 -0.05 -1.20 -1.57 0.00 0.00 179.24 176.42 3k9x n SER 195 N -2.86 0.59 0.00 6.45 7.64 -1.26 -1.81 113.62 122.38 3k9x n SER 195 Ca 0.02 1.13 0.00 0.00 1.01 0.00 0.00 58.87 61.03 3k9x n SER 195 Cb 0.54 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.42 2.16 3.64 0.23 0.00 0.01 -0.16 105.19 112.49 3k9x n GLY 196 Ca 0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.16 3.75 -0.02 0.00 -0.75 -3.40 105.19 101.61 3k9x n GLY 197 Ca 0.00 -1.76 -0.40 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 -5.62 4.82 -0.18 1.61 0.02 -1.26 -1.81 135.00 132.57 3k9x s PRO 198 Ca 0.70 1.51 0.01 0.00 0.02 0.00 0.00 61.00 63.24 3k9x s PRO 198 Cb -0.02 -3.29 0.02 0.00 0.02 0.00 0.00 34.50 31.23 3k9x s PRO 198 CO 0.49 0.44 -0.20 -1.58 -0.33 0.00 0.00 177.00 175.82 3k9x s HIS 199 N -0.97 2.79 0.17 6.54 2.46 -0.73 -2.70 115.29 122.85 3k9x s HIS 199 Ca 0.42 -1.65 0.10 0.00 0.47 0.00 0.00 55.06 54.41 3k9x s HIS 199 Cb -0.26 -1.92 -0.04 0.00 -0.13 0.00 0.00 32.58 30.22 3k9x s HIS 199 CO 0.32 -0.81 -0.23 0.14 -2.47 0.00 0.00 174.74 171.70 3k9x s VAL 200 N 1.29 2.17 -0.07 0.89 -7.23 -0.29 -0.70 120.40 116.46 3k9x s VAL 200 Ca 0.05 -1.95 0.03 0.00 -1.81 0.00 0.00 61.98 58.30 3k9x s VAL 200 Cb -0.13 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.81 3k9x s VAL 200 CO -0.13 -0.14 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.47 3k9x s THR 201 N -1.67 1.45 -0.00 5.32 2.01 -0.02 -0.79 115.64 121.93 3k9x s THR 201 Ca 0.18 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.23 3k9x s THR 201 Cb -0.08 -1.27 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 3k9x s THR 201 CO 0.08 0.42 0.84 -0.60 -0.69 0.00 0.00 174.62 174.68 3k9x s ARG 202 N 0.39 4.52 -0.10 4.92 3.52 -1.26 -1.42 118.95 129.51 3k9x s ARG 202 Ca -0.12 1.17 -0.03 0.00 -0.13 0.00 0.00 55.73 56.62 3k9x s ARG 202 Cb -0.15 -3.43 0.04 0.00 -1.56 0.00 0.00 34.95 29.85 3k9x s ARG 202 CO 0.04 0.08 0.04 0.12 -0.81 0.00 0.00 175.30 174.77 3k9x s PHE 203 N 0.65 0.44 -1.19 5.12 5.36 -0.11 -4.94 117.98 123.30 3k9x s PHE 203 Ca 0.44 -0.18 -0.20 0.00 -0.96 0.00 0.00 56.93 56.02 3k9x s PHE 203 Cb -0.20 -0.72 0.00 0.00 -0.34 0.00 0.00 43.02 41.76 3k9x s PHE 203 CO 0.24 -0.37 0.72 1.63 -1.46 0.00 0.00 175.22 175.98 3k9x n LYS 204 N 5.21 -1.34 -1.17 10.12 5.02 -1.26 -2.19 118.16 132.54 3k9x n LYS 204 Ca -0.06 0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 56.55 3k9x n LYS 204 Cb 0.49 -3.91 -0.03 0.00 -0.02 0.00 0.00 35.03 31.57 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 -2.63 -5.26 -4.16 4.39 8.00 -1.26 -4.99 116.55 110.65 3k9x n ASP 205 Ca -0.13 0.15 -0.26 0.00 0.71 0.00 0.00 54.79 55.26 3k9x n ASP 205 Cb 0.60 -3.28 -0.16 0.00 -0.02 0.00 0.00 41.12 38.26 3k9x n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k9x s THR 206 N -1.71 1.45 -0.18 -3.53 2.01 -0.93 -5.12 115.64 107.63 3k9x s THR 206 Ca 0.00 -0.75 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 3k9x s THR 206 Cb 0.00 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.23 3k9x s THR 206 CO 0.00 0.41 0.20 -0.31 -0.69 0.00 0.00 174.62 174.23 3k9x s TYR 207 N -0.15 3.45 -0.03 4.92 1.51 -1.26 -0.94 117.35 124.85 3k9x s TYR 207 Ca 0.00 0.46 0.07 0.00 -1.01 0.00 0.00 57.07 56.59 3k9x s TYR 207 Cb -0.10 -2.22 -0.01 0.00 -0.11 0.00 0.00 41.96 39.52 3k9x s TYR 207 CO 0.01 0.30 -0.23 -0.06 -1.11 0.00 0.00 175.55 174.46 3k9x s PHE 208 N 0.29 2.17 0.04 2.71 0.08 -0.51 -2.01 117.98 120.75 3k9x s PHE 208 Ca 0.12 -0.52 -0.30 0.00 0.12 0.00 0.00 56.93 56.35 3k9x s PHE 208 Cb -0.12 -1.41 -0.08 0.00 -0.57 0.00 0.00 43.02 40.84 3k9x s PHE 208 CO 0.01 -0.11 1.76 0.08 -0.10 0.00 0.00 175.22 176.86 3k9x s VAL 209 N -0.36 3.09 0.00 -0.44 1.01 -0.17 -0.84 120.40 122.70 3k9x s VAL 209 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.37 3k9x s VAL 209 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3k9x s VAL 209 CO 0.01 -0.02 0.00 0.35 0.00 0.00 0.00 175.10 175.44 3k9x n THR 210 N 5.12 0.00 -3.91 3.92 -2.24 0.12 -4.59 114.28 112.71 3k9x n THR 210 Ca 0.17 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.84 3k9x n THR 210 Cb 0.41 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.59 0.20 -0.08 3.38 0.00 -0.50 -2.47 107.32 106.26 3k9x s GLY 211 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 44.72 44.17 3k9x s GLY 211 CO 0.00 -0.31 -0.14 -0.42 0.00 0.00 0.00 173.10 172.23 3k9x s ILE 212 N -3.77 1.29 0.06 0.90 1.01 -0.93 -1.77 121.20 117.99 3k9x s ILE 212 Ca 0.16 -0.55 -0.32 0.00 0.00 0.00 0.00 60.65 59.93 3k9x s ILE 212 Cb -0.04 -1.18 -0.11 0.00 0.01 0.00 0.00 42.46 41.14 3k9x s ILE 212 CO 0.08 0.39 1.84 0.52 0.00 0.00 0.00 174.94 177.78 3k9x n VAL 213 N 3.91 0.44 0.04 2.92 0.31 -0.75 -0.39 118.33 124.80 3k9x n VAL 213 Ca -0.21 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3k9x n VAL 213 Cb 0.52 -2.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.42 3k9x n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3k9x n SER 214 N 5.92 0.70 -3.68 4.52 2.88 -0.41 -0.81 113.62 122.75 3k9x n SER 214 Ca 0.19 0.10 -0.07 0.00 -1.33 0.00 0.00 58.87 57.77 3k9x n SER 214 Cb 0.35 -0.20 -0.02 0.00 -0.75 0.00 0.00 64.21 63.59 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 -2.00 -0.25 -0.16 0.66 1.48 -0.82 -4.89 118.94 112.96 3k9x s TRP 215 Ca 0.00 -0.05 -0.30 0.00 -1.06 0.00 0.00 56.10 54.69 3k9x s TRP 215 Cb 0.00 0.63 0.13 0.00 -1.16 0.00 0.00 33.47 33.06 3k9x s TRP 215 CO 0.00 -0.89 0.99 0.20 -4.06 0.00 0.00 176.95 173.19 3k9x s GLY 216 N -2.82 -0.27 -0.72 3.67 0.00 -1.26 -0.24 107.32 105.68 3k9x s GLY 216 Ca 0.09 2.05 -0.23 0.00 0.00 0.00 0.00 44.72 46.62 3k9x s GLY 216 CO -0.01 1.07 1.07 -0.54 0.00 0.00 0.00 173.10 174.69 3k9x s GLU 217 N -1.03 3.20 0.40 2.90 2.02 -1.26 -4.88 118.70 120.05 3k9x s GLU 217 Ca -0.02 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.13 3k9x s GLU 217 Cb -0.01 -4.35 0.00 0.00 0.10 0.00 0.00 34.13 29.87 3k9x s GLU 217 CO 0.01 -1.90 0.00 0.41 0.02 0.00 0.00 175.26 173.81 3k9x n GLY 218 N 5.44 -2.08 3.30 -1.39 0.00 -1.26 -4.59 105.19 104.61 3k9x n GLY 218 Ca 0.02 -1.41 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 3.62 -0.80 -1.78 0.00 0.00 -1.26 -4.60 120.51 115.69 3k9x n ALA 221 Ca -0.19 0.19 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 3k9x n ALA 221 Cb 0.53 -2.66 -0.05 0.00 0.00 0.00 0.00 19.45 17.27 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 -5.34 4.37 0.37 0.00 0.52 -1.26 -4.70 118.95 112.91 3k9x s ARG 222 Ca 0.13 1.46 -0.28 0.00 -0.52 0.00 0.00 55.73 56.52 3k9x s ARG 222 Cb -0.06 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.61 3k9x s ARG 222 CO 0.16 0.05 1.49 0.15 0.02 0.00 0.00 175.30 177.18 3k9x s LYS 223 N -2.25 4.10 0.00 3.54 -0.14 -1.26 -1.95 119.74 121.79 3k9x s LYS 223 Ca 0.54 2.58 0.00 0.00 -1.36 0.00 0.00 55.97 57.73 3k9x s LYS 223 Cb -0.21 -2.97 0.00 0.00 -1.68 0.00 0.00 37.83 32.97 3k9x s LYS 223 CO 0.27 -0.54 0.00 0.41 -0.76 0.00 0.00 175.35 174.73 3k9x n GLY 223 N 0.50 0.44 3.28 -3.33 0.00 -0.60 -5.01 105.19 100.47 3k9x n GLY 223 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.62 1.31 0.32 1.61 -0.14 -0.82 -4.75 119.74 116.65 3k9x s LYS 224 Ca 0.00 -1.07 0.08 0.00 -1.36 0.00 0.00 55.97 53.62 3k9x s LYS 224 Cb 0.00 -1.52 -0.06 0.00 -1.68 0.00 0.00 37.83 34.57 3k9x s LYS 224 CO 0.00 0.37 -0.08 0.71 -0.76 0.00 0.00 175.35 175.59 3k9x s TYR 225 N -0.96 2.21 0.43 3.18 2.02 -1.26 -4.54 117.35 118.43 3k9x s TYR 225 Ca 0.08 -0.58 -0.22 0.00 -0.37 0.00 0.00 57.07 55.97 3k9x s TYR 225 Cb -0.09 -1.26 -0.09 0.00 -0.40 0.00 0.00 41.96 40.11 3k9x s TYR 225 CO 0.03 0.46 1.02 0.20 -1.57 0.00 0.00 175.55 175.69 3k9x s GLY 226 N -3.54 2.61 -0.12 0.71 0.00 -0.63 -4.54 107.32 101.81 3k9x s GLY 226 Ca 0.31 0.61 -0.01 0.00 0.00 0.00 0.00 44.72 45.63 3k9x s GLY 226 CO 0.15 0.97 -0.07 -0.42 0.00 0.00 0.00 173.10 173.73 3k9x s ILE 227 N -1.85 3.61 0.05 0.90 -1.09 0.66 -1.59 121.20 121.89 3k9x s ILE 227 Ca 0.61 -0.48 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 3k9x s ILE 227 Cb -0.18 -2.53 -0.03 0.00 -1.58 0.00 0.00 42.46 38.14 3k9x s ILE 227 CO 0.22 0.54 -0.25 -0.31 -1.23 0.00 0.00 174.94 173.91 3k9x s TYR 228 N -0.05 2.19 0.27 3.97 1.51 -0.01 -1.28 117.35 123.93 3k9x s TYR 228 Ca -0.00 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 3k9x s TYR 228 Cb -0.13 -1.30 -0.10 0.00 -0.11 0.00 0.00 41.96 40.32 3k9x s TYR 228 CO 0.03 0.12 1.27 0.99 -1.11 0.00 0.00 175.55 176.85 3k9x s THR 229 N -0.81 3.07 -0.59 -0.71 2.01 0.47 -0.85 115.64 118.22 3k9x s THR 229 Ca 0.11 0.99 -0.23 0.00 0.31 0.00 0.00 61.69 62.86 3k9x s THR 229 Cb -0.10 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.84 3k9x s THR 229 CO 0.02 0.20 0.92 -0.75 -0.69 0.00 0.00 174.62 174.32 3k9x s LYS 230 N -1.02 3.21 0.41 4.92 2.20 0.23 -2.19 119.74 127.51 3k9x s LYS 230 Ca 0.51 -0.57 0.07 0.00 -0.36 0.00 0.00 55.97 55.63 3k9x s LYS 230 Cb -0.37 -4.13 0.85 0.00 -1.51 0.00 0.00 37.83 32.66 3k9x s LYS 230 CO 0.44 -1.61 2.03 0.28 -0.36 0.00 0.00 175.35 176.14 3k9x h VAL 231 N 5.98 1.12 -0.18 4.02 2.07 -1.81 -2.65 116.25 124.79 3k9x h VAL 231 Ca -0.27 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 66.99 3k9x h VAL 231 Cb 1.07 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 3k9x h VAL 231 CO 1.12 0.13 0.13 0.71 0.02 0.00 0.00 177.57 179.67 3k9x h THR 232 N 0.49 0.94 0.00 2.57 1.35 -1.89 0.92 112.91 117.30 3k9x h THR 232 Ca 0.13 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3k9x h THR 232 Cb 0.02 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3k9x h THR 232 CO -0.02 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.26 3k9x h ALA 233 N 1.91 1.00 -0.10 6.62 0.00 -1.85 -3.19 119.26 123.65 3k9x h ALA 233 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3k9x h ALA 233 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3k9x h ALA 233 CO -0.01 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.43 3k9x n PHE 234 N -2.52 0.17 -0.14 0.00 3.72 0.29 -4.75 117.46 114.24 3k9x n PHE 234 Ca 0.02 -0.62 -0.09 0.00 -0.05 0.00 0.00 57.45 56.71 3k9x n PHE 234 Cb 0.27 -0.08 0.05 0.00 -0.94 0.00 0.00 39.48 38.78 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 0.58 0.93 -0.18 4.37 3.38 -1.48 0.34 115.31 123.23 3k9x h LEU 235 Ca 0.00 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3k9x h LEU 235 Cb 0.71 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3k9x h LEU 235 CO 0.02 1.08 -0.12 0.50 0.09 0.00 0.00 178.44 180.00 3k9x h LYS 236 N 0.81 0.41 -0.88 1.13 3.64 -1.85 -0.05 116.57 119.78 3k9x h LYS 236 Ca 0.12 -0.19 0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3k9x h LYS 236 Cb 0.71 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.48 3k9x h LYS 236 CO 0.05 0.73 0.58 2.35 -2.27 0.00 0.00 179.45 180.89 3k9x h TRP 237 N 0.08 1.11 -0.68 1.91 7.01 -1.73 -1.16 115.95 122.48 3k9x h TRP 237 Ca 0.04 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 3k9x h TRP 237 Cb 0.63 -0.37 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 3k9x h TRP 237 CO 0.07 0.70 0.29 0.82 -2.79 0.00 0.00 178.44 177.53 3k9x h ILE 238 N 1.19 1.24 -0.61 2.65 2.04 -0.17 -2.06 117.51 121.78 3k9x h ILE 238 Ca 0.32 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.38 3k9x h ILE 238 Cb -0.13 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.37 3k9x h ILE 238 CO -0.07 0.29 0.10 -0.78 0.00 0.00 0.00 178.15 177.70 3k9x h ASP 239 N 0.97 0.95 -0.47 1.72 1.82 -0.47 -1.63 116.42 119.30 3k9x h ASP 239 Ca 0.23 -0.21 -0.05 0.00 -0.39 0.00 0.00 57.03 56.61 3k9x h ASP 239 Cb 0.19 -0.25 -0.02 0.00 0.68 0.00 0.00 39.33 39.92 3k9x h ASP 239 CO -0.02 0.94 0.13 0.03 -1.61 0.00 0.00 179.24 178.71 3k9x h ARG 240 N 0.94 0.81 -0.06 0.28 3.08 -0.98 -2.73 114.38 115.71 3k9x h ARG 240 Ca 0.19 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3k9x h ARG 240 Cb 0.40 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3k9x h ARG 240 CO 0.01 0.73 -0.30 0.77 -1.07 0.00 0.00 179.97 180.11 3k9x h SER 241 N 0.78 0.11 0.74 7.04 0.02 -0.73 -3.12 113.55 118.39 3k9x h SER 241 Ca 0.17 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3k9x h SER 241 Cb 0.29 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3k9x h SER 241 CO -0.00 0.42 -0.66 0.23 -1.14 0.00 0.00 176.83 175.68 3k9x n MET 242 N -4.14 0.24 0.04 3.45 2.81 -0.67 -3.48 117.12 115.36 3k9x n MET 242 Ca -0.02 0.06 0.04 0.00 -1.81 0.00 0.00 57.70 55.97 3k9x n MET 242 Cb 0.37 -1.64 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 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 -1.99 0.63 -0.30 0.03 5.02 -1.06 -3.64 118.16 116.86 3k9x n LYS 243 Ca 0.03 0.12 0.12 0.00 -2.02 0.00 0.00 58.31 56.57 3k9x n LYS 243 Cb 0.42 -1.75 0.28 0.00 -0.02 0.00 0.00 35.03 33.96 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 0.31 -0.32 -0.18 2.02 -1.58 -3.46 112.91 109.70 3k9x h THR 244 Ca -0.13 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3k9x h THR 244 Cb 1.40 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.91 3k9x h THR 244 CO 0.03 0.04 0.00 -1.14 0.37 0.00 0.00 175.52 174.81 3k9x n ARG 245 N -5.24 0.00 -1.32 6.66 0.63 -1.24 -4.89 116.66 111.26 3k9x n ARG 245 Ca 0.21 0.00 -0.30 0.00 -0.92 0.00 0.00 57.85 56.84 3k9x n ARG 245 Cb 0.67 0.00 0.22 0.00 0.45 0.00 0.00 32.46 33.80 3k9x n ARG 245 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3k9x s GLY 246 N -2.23 1.64 0.38 5.14 0.00 -1.26 -4.99 107.32 105.99 3k9x s GLY 246 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 44.72 43.45 3k9x s GLY 246 CO 0.00 -0.16 1.23 1.08 0.00 0.00 0.00 173.10 175.25 3k9x s LEU 247 N -6.65 4.26 0.00 0.66 1.43 -1.26 -5.22 118.68 111.90 3k9x s LEU 247 Ca 0.72 2.51 0.09 0.00 -1.03 0.00 0.00 54.13 56.41 3k9x s LEU 247 Cb -0.08 -3.89 0.52 0.00 0.03 0.00 0.00 46.19 42.77 3k9x s LEU 247 CO 0.55 -0.68 0.97 -2.65 0.23 0.00 0.00 176.35 174.78