#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kd0 s ILE 3 N 0.00 4.85 -0.18 -0.18 1.01 -0.22 -1.11 121.20 125.36 1kd0 s ILE 3 Ca 0.00 1.86 0.12 0.00 0.00 0.00 0.00 60.65 62.63 1kd0 s ILE 3 Cb 0.00 -4.23 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 1kd0 s ILE 3 CO 0.00 0.23 0.33 1.33 0.00 0.00 0.00 174.94 176.83 1kd0 n VAL 4 N 3.59 0.00 -3.49 2.92 0.24 0.86 -0.04 118.33 122.41 1kd0 n VAL 4 Ca 0.03 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 1kd0 n VAL 4 Cb 0.51 0.48 -0.04 0.00 -1.47 0.00 0.00 33.84 33.32 1kd0 n VAL 4 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1kd0 s ASP 5 N -2.94 -0.55 -0.05 -1.34 -1.08 -1.08 -4.83 116.67 104.81 1kd0 s ASP 5 Ca -0.02 0.30 0.01 0.00 -0.52 0.00 0.00 52.55 52.33 1kd0 s ASP 5 Cb 0.08 0.51 0.02 0.00 -1.46 0.00 0.00 42.92 42.07 1kd0 s ASP 5 CO 0.48 -0.71 -0.05 -0.69 0.52 0.00 0.00 175.17 174.71 1kd0 s VAL 6 N -2.43 0.63 0.02 1.11 1.01 -1.26 -0.77 120.40 118.71 1kd0 s VAL 6 Ca -0.03 -0.17 0.06 0.00 0.00 0.00 0.00 61.98 61.84 1kd0 s VAL 6 Cb -0.01 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.71 1kd0 s VAL 6 CO -0.02 0.25 -0.18 -0.76 0.00 0.00 0.00 175.10 174.38 1kd0 s LEU 7 N 0.95 2.12 -0.04 3.92 1.43 0.51 -4.98 118.68 122.59 1kd0 s LEU 7 Ca -0.10 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1kd0 s LEU 7 Cb -0.14 -0.86 -0.00 0.00 0.03 0.00 0.00 46.19 45.22 1kd0 s LEU 7 CO 0.00 0.15 -0.17 0.00 0.23 0.00 0.00 176.35 176.56 1kd0 s THR 9 N 0.06 0.17 0.74 0.00 -4.23 -0.42 -4.98 115.64 106.98 1kd0 s THR 9 Ca -0.04 -0.07 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1kd0 s THR 9 Cb -0.12 -0.16 0.04 0.00 1.34 0.00 0.00 72.50 73.60 1kd0 s THR 9 CO 0.02 0.06 1.09 -2.16 -0.54 0.00 0.00 174.62 173.10 1kd0 s PRO 10 N 0.08 2.44 0.29 3.99 0.04 -1.26 -0.57 135.00 140.01 1kd0 s PRO 10 Ca -0.00 1.21 -0.10 0.00 0.04 0.00 0.00 61.00 62.14 1kd0 s PRO 10 Cb -0.02 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.64 1kd0 s PRO 10 CO -0.00 -1.51 0.57 0.41 0.04 0.00 0.00 177.00 176.51 1kd0 n GLY 11 N -1.09 1.29 4.03 0.56 0.00 -0.21 -4.75 105.19 105.03 1kd0 n GLY 11 Ca 0.09 -1.20 -0.20 0.00 0.00 0.00 0.00 46.02 44.72 1kd0 n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kd0 s LEU 12 N 0.00 3.07 0.34 0.99 1.43 -1.26 -1.43 118.68 121.81 1kd0 s LEU 12 Ca 0.12 -0.88 0.06 0.00 -1.03 0.00 0.00 54.13 52.39 1kd0 s LEU 12 Cb -0.03 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.59 1kd0 s LEU 12 CO 0.09 -1.37 0.33 0.42 0.23 0.00 0.00 176.35 176.05 1kd0 s THR 13 N -2.69 0.00 -1.30 5.49 -4.23 -1.25 -4.17 115.64 107.49 1kd0 s THR 13 Ca 0.62 -1.91 0.20 0.00 -1.18 0.00 0.00 61.69 59.41 1kd0 s THR 13 Cb -0.05 -2.54 0.29 0.00 1.34 0.00 0.00 72.50 71.54 1kd0 s THR 13 CO 0.39 0.00 1.62 0.61 -0.54 0.00 0.00 174.62 176.70 1kd0 n GLY 14 N -0.62 -1.01 0.00 3.99 0.00 -0.10 -4.92 105.19 102.53 1kd0 n GLY 14 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1kd0 n GLY 14 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kd0 n PHE 15 N -1.35 0.00 -4.23 1.61 7.35 -1.17 -3.59 117.46 116.08 1kd0 n PHE 15 Ca 0.08 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.58 1kd0 n PHE 15 Cb 0.18 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.90 1kd0 n PHE 15 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 1kd0 s TYR 16 N 0.64 1.41 -0.18 -5.13 1.51 -1.26 -2.38 117.35 111.96 1kd0 s TYR 16 Ca 0.00 -0.52 -0.22 0.00 -1.01 0.00 0.00 57.07 55.32 1kd0 s TYR 16 Cb 0.00 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 41.08 1kd0 s TYR 16 CO 0.00 0.14 0.70 -0.06 -1.11 0.00 0.00 175.55 175.22 1kd0 s PHE 17 N -1.86 3.41 -0.08 2.71 2.99 0.13 -4.45 117.98 120.83 1kd0 s PHE 17 Ca 0.07 1.06 0.03 0.00 0.00 0.00 0.00 56.93 58.09 1kd0 s PHE 17 Cb -0.06 -2.87 -0.01 0.00 0.00 0.00 0.00 43.02 40.07 1kd0 s PHE 17 CO 0.03 -0.17 -0.19 -0.51 -0.00 0.00 0.00 175.22 174.38 1kd0 s ASP 18 N 1.15 3.57 -1.01 1.36 1.01 -0.82 -0.95 116.67 120.98 1kd0 s ASP 18 Ca 0.33 -0.39 -0.23 0.00 0.71 0.00 0.00 52.55 52.96 1kd0 s ASP 18 Cb -0.16 -1.13 0.04 0.00 1.01 0.00 0.00 42.92 42.68 1kd0 s ASP 18 CO 0.12 0.24 1.50 -0.62 0.21 0.00 0.00 175.17 176.61 1kd0 s ASP 19 N -0.09 6.36 0.30 0.27 -1.08 0.32 -4.45 116.67 118.30 1kd0 s ASP 19 Ca -0.04 -1.37 -0.01 0.00 -0.52 0.00 0.00 52.55 50.60 1kd0 s ASP 19 Cb -0.14 -2.57 0.46 0.00 -1.46 0.00 0.00 42.92 39.21 1kd0 s ASP 19 CO 0.04 -1.64 1.95 -0.61 0.52 0.00 0.00 175.17 175.43 1kd0 h GLN 20 N 9.95 1.07 -0.41 4.34 4.15 -1.92 0.53 115.11 132.82 1kd0 h GLN 20 Ca 0.19 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1kd0 h GLN 20 Cb 1.01 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.44 1kd0 h GLN 20 CO 1.41 0.71 0.18 0.00 -1.93 0.00 0.00 178.83 179.20 1kd0 h ARG 21 N 1.10 0.60 -0.58 1.69 3.08 -1.98 0.97 114.38 119.26 1kd0 h ARG 21 Ca 0.34 -0.10 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 1kd0 h ARG 21 Cb -0.01 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1kd0 h ARG 21 CO -0.09 0.54 -0.05 0.00 -1.07 0.00 0.00 179.97 179.30 1kd0 h ALA 22 N 1.03 0.81 -0.41 0.04 0.00 -1.70 0.05 119.26 119.09 1kd0 h ALA 22 Ca 0.14 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1kd0 h ALA 22 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1kd0 h ALA 22 CO -0.01 0.67 0.02 0.82 0.00 0.00 0.00 179.25 180.75 1kd0 h ILE 23 N 0.95 1.26 0.00 0.00 2.04 -0.57 -1.74 117.51 119.44 1kd0 h ILE 23 Ca 0.16 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1kd0 h ILE 23 Cb 0.61 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 1kd0 h ILE 23 CO 0.04 0.33 -0.13 0.11 0.00 0.00 0.00 178.15 178.50 1kd0 h LYS 24 N 0.54 0.00 0.00 2.37 1.57 -0.57 -2.03 116.57 118.46 1kd0 h LYS 24 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1kd0 h LYS 24 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1kd0 h LYS 24 CO 0.02 0.13 0.00 1.63 -0.57 0.00 0.00 179.45 180.66 1kd0 n LYS 25 N -4.07 0.07 0.00 3.15 5.02 -0.02 -4.86 118.16 117.45 1kd0 n LYS 25 Ca -0.02 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.47 1kd0 n LYS 25 Cb 0.22 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 1kd0 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kd0 n GLY 26 N 0.58 1.21 3.52 0.72 0.00 -0.76 -5.09 105.19 105.37 1kd0 n GLY 26 Ca 0.04 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.48 1kd0 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kd0 n ALA 27 N 0.00 -3.17 -2.23 4.61 0.00 -0.90 -4.95 120.51 113.87 1kd0 n ALA 27 Ca 0.00 0.58 -0.11 0.00 0.00 0.00 0.00 53.44 53.91 1kd0 n ALA 27 Cb 0.00 -1.81 0.06 0.00 0.00 0.00 0.00 19.45 17.70 1kd0 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kd0 n GLY 28 N 1.77 0.33 3.44 0.00 0.00 -1.24 -4.82 105.19 104.66 1kd0 n GLY 28 Ca 0.20 -1.93 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 1kd0 n GLY 28 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kd0 s HIS 29 N -1.55 2.46 -0.36 1.61 3.76 -1.26 -1.73 115.29 118.22 1kd0 s HIS 29 Ca 0.32 -0.31 0.03 0.00 -0.15 0.00 0.00 55.06 54.96 1kd0 s HIS 29 Cb -0.02 -1.35 0.16 0.00 1.11 0.00 0.00 32.58 32.49 1kd0 s HIS 29 CO 0.22 0.32 0.41 0.34 -0.85 0.00 0.00 174.74 175.18 1kd0 s ASP 30 N -1.89 0.75 1.48 1.40 -1.08 -0.23 -4.81 116.67 112.30 1kd0 s ASP 30 Ca 0.16 -1.29 0.00 0.00 -0.52 0.00 0.00 52.55 50.90 1kd0 s ASP 30 Cb -0.10 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.16 1kd0 s ASP 30 CO 0.07 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 176.11 1kd0 n GLY 31 N 4.46 2.97 0.00 2.66 0.00 -1.26 -1.47 105.19 112.55 1kd0 n GLY 31 Ca 0.09 -0.28 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1kd0 n GLY 31 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1kd0 n PHE 32 N 13.73 0.00 -2.89 1.61 7.35 -1.26 -4.87 117.46 131.12 1kd0 n PHE 32 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1kd0 n PHE 32 Cb 0.00 -0.42 0.02 0.00 0.35 0.00 0.00 39.48 39.43 1kd0 n PHE 32 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1kd0 s THR 33 N -2.85 3.22 0.05 -2.13 -4.23 -0.54 -5.03 115.64 104.13 1kd0 s THR 33 Ca 0.16 -0.73 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1kd0 s THR 33 Cb 0.17 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.81 1kd0 s THR 33 CO 0.43 -0.10 -0.10 -0.31 -0.54 0.00 0.00 174.62 174.00 1kd0 s TYR 34 N -2.56 2.76 0.33 3.99 1.51 -1.26 -1.06 117.35 121.05 1kd0 s TYR 34 Ca 0.53 -0.13 0.06 0.00 -1.01 0.00 0.00 57.07 56.52 1kd0 s TYR 34 Cb -0.10 -1.51 -0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1kd0 s TYR 34 CO 0.36 0.36 0.46 0.95 -1.11 0.00 0.00 175.55 176.58 1kd0 s THR 35 N -1.06 4.17 0.00 -0.71 -4.23 -0.70 -4.71 115.64 108.40 1kd0 s THR 35 Ca 0.18 -1.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1kd0 s THR 35 Cb -0.11 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.29 1kd0 s THR 35 CO 0.09 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1kd0 n GLY 36 N -1.62 0.70 3.77 3.99 0.00 -1.26 -3.69 105.19 107.08 1kd0 n GLY 36 Ca -0.01 -1.97 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 1kd0 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kd0 s SER 37 N -0.54 5.40 0.70 1.61 0.01 -1.26 -4.73 113.70 114.89 1kd0 s SER 37 Ca 0.00 2.13 -0.11 0.00 1.31 0.00 0.00 55.95 59.27 1kd0 s SER 37 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.67 1kd0 s SER 37 CO 0.00 -1.43 1.07 0.42 0.41 0.00 0.00 173.24 173.70 1kd0 s THR 38 N -1.99 3.93 0.00 1.44 -4.23 -1.26 -4.88 115.64 108.65 1kd0 s THR 38 Ca 0.71 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.85 1kd0 s THR 38 Cb -0.23 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.12 1kd0 s THR 38 CO 0.33 -0.82 0.00 0.52 -0.54 0.00 0.00 174.62 174.11 1kd0 n VAL 39 N -3.06 0.00 -3.57 2.29 0.31 -1.26 -5.02 118.33 108.03 1kd0 n VAL 39 Ca 0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.03 1kd0 n VAL 39 Cb 0.55 -0.64 -0.06 0.00 -0.91 0.00 0.00 33.84 32.77 1kd0 n VAL 39 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1kd0 s THR 40 N -1.90 5.24 0.22 2.52 2.01 -1.26 -5.00 115.64 117.47 1kd0 s THR 40 Ca 0.00 0.61 -0.31 0.00 0.31 0.00 0.00 61.69 62.30 1kd0 s THR 40 Cb 0.00 -3.63 -0.15 0.00 0.01 0.00 0.00 72.50 68.73 1kd0 s THR 40 CO 0.00 0.49 1.17 -0.62 -0.69 0.00 0.00 174.62 174.97 1kd0 n GLU 41 N 2.73 1.39 0.00 4.92 1.02 -1.26 -2.49 120.64 126.95 1kd0 n GLU 41 Ca -0.14 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1kd0 n GLU 41 Cb 0.53 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.96 1kd0 n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kd0 n GLY 42 N 1.84 2.84 3.75 0.62 0.00 -1.26 -4.64 105.19 108.34 1kd0 n GLY 42 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1kd0 n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kd0 s PHE 43 N -1.82 3.25 -0.25 1.61 0.40 -1.04 -4.93 117.98 115.21 1kd0 s PHE 43 Ca 0.00 1.39 0.10 0.00 -0.60 0.00 0.00 56.93 57.82 1kd0 s PHE 43 Cb 0.00 -3.56 -0.13 0.00 0.51 0.00 0.00 43.02 39.83 1kd0 s PHE 43 CO 0.00 -1.60 0.33 0.25 0.70 0.00 0.00 175.22 174.90 1kd0 n THR 44 N 1.71 0.00 -4.01 0.64 -2.24 -1.26 -4.91 114.28 104.21 1kd0 n THR 44 Ca 0.03 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1kd0 n THR 44 Cb 0.43 0.64 -0.11 0.00 -2.10 0.00 0.00 70.33 69.19 1kd0 n THR 44 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1kd0 s GLN 45 N -2.33 0.43 0.26 -0.78 -0.21 -1.26 -4.89 119.66 110.88 1kd0 s GLN 45 Ca 0.00 -0.81 -0.05 0.00 0.02 0.00 0.00 55.36 54.52 1kd0 s GLN 45 Cb 0.07 0.15 0.29 0.00 1.00 0.00 0.00 33.01 34.52 1kd0 s GLN 45 CO 0.42 -0.08 1.93 0.28 -2.12 0.00 0.00 175.29 175.73 1kd0 h VAL 46 N 4.10 1.25 -3.28 1.09 2.07 -1.84 -3.38 116.25 116.25 1kd0 h VAL 46 Ca -0.33 -0.47 -0.67 0.00 0.82 0.00 0.00 66.70 66.06 1kd0 h VAL 46 Cb 1.19 -0.17 -0.34 0.00 -1.52 0.00 0.00 31.29 30.45 1kd0 h VAL 46 CO 0.50 0.24 -0.87 -0.60 0.02 0.00 0.00 177.57 176.86 1kd0 s ARG 47 N -6.06 2.94 0.09 1.57 3.52 -1.26 -0.52 118.95 119.23 1kd0 s ARG 47 Ca -0.13 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.63 1kd0 s ARG 47 Cb 0.18 -2.30 -0.04 0.00 -1.56 0.00 0.00 34.95 31.23 1kd0 s ARG 47 CO 0.82 0.08 0.02 1.14 -0.81 0.00 0.00 175.30 176.54 1kd0 s GLN 48 N 0.59 0.78 0.29 5.12 -2.07 -0.13 -4.92 119.66 119.32 1kd0 s GLN 48 Ca -0.13 -1.34 -0.29 0.00 -1.82 0.00 0.00 55.36 51.79 1kd0 s GLN 48 Cb -0.17 0.22 -0.13 0.00 -1.09 0.00 0.00 33.01 31.84 1kd0 s GLN 48 CO 0.04 -0.19 1.14 0.36 -1.32 0.00 0.00 175.29 175.32 1kd0 n LYS 49 N -0.00 1.65 -2.08 9.60 2.85 -1.26 -0.69 118.16 128.22 1kd0 n LYS 49 Ca -0.09 0.58 -0.34 0.00 -1.05 0.00 0.00 58.31 57.41 1kd0 n LYS 49 Cb 0.62 -2.05 0.02 0.00 -0.65 0.00 0.00 35.03 32.97 1kd0 n LYS 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1kd0 s GLY 50 N -0.37 2.40 0.16 2.58 0.00 -1.00 -4.09 107.32 106.99 1kd0 s GLY 50 Ca 0.59 0.66 0.07 0.00 0.00 0.00 0.00 44.72 46.04 1kd0 s GLY 50 CO 0.59 1.01 -0.15 -0.54 0.00 0.00 0.00 173.10 174.01 1kd0 s GLU 51 N -3.66 1.17 0.21 2.90 2.02 -1.26 -3.91 118.70 116.18 1kd0 s GLU 51 Ca 0.69 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1kd0 s GLU 51 Cb -0.21 -1.06 -0.05 0.00 0.10 0.00 0.00 34.13 32.91 1kd0 s GLU 51 CO 0.33 0.20 0.08 -1.54 0.02 0.00 0.00 175.26 174.34 1kd0 s SER 52 N -2.76 0.86 -0.11 -0.19 1.04 -0.52 -4.59 113.70 107.44 1kd0 s SER 52 Ca 0.15 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.27 1kd0 s SER 52 Cb -0.04 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1kd0 s SER 52 CO 0.05 -0.72 -0.11 -0.63 0.98 0.00 0.00 173.24 172.81 1kd0 s ILE 53 N -3.86 1.21 -0.07 -1.02 1.01 -0.93 -1.04 121.20 116.50 1kd0 s ILE 53 Ca 0.33 -0.44 -0.28 0.00 0.00 0.00 0.00 60.65 60.25 1kd0 s ILE 53 Cb 0.07 -1.16 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 1kd0 s ILE 53 CO 0.10 0.39 0.93 -0.44 0.00 0.00 0.00 174.94 175.91 1kd0 s SER 54 N 1.29 7.21 -0.21 3.58 0.01 0.27 -0.49 113.70 125.37 1kd0 s SER 54 Ca -0.02 1.48 -0.03 0.00 1.31 0.00 0.00 55.95 58.69 1kd0 s SER 54 Cb -0.14 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.56 1kd0 s SER 54 CO -0.04 -0.32 -0.07 -0.69 0.41 0.00 0.00 173.24 172.52 1kd0 s VAL 55 N 1.49 3.23 -0.10 3.43 1.01 0.17 -1.30 120.40 128.33 1kd0 s VAL 55 Ca 0.47 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1kd0 s VAL 55 Cb -0.19 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 1kd0 s VAL 55 CO 0.21 0.45 -0.21 -0.76 0.00 0.00 0.00 175.10 174.78 1kd0 s LEU 56 N 1.31 2.26 -0.32 3.92 1.43 -0.28 -1.28 118.68 125.72 1kd0 s LEU 56 Ca 0.04 -0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 52.64 1kd0 s LEU 56 Cb -0.14 -1.46 0.07 0.00 0.03 0.00 0.00 46.19 44.69 1kd0 s LEU 56 CO -0.03 0.18 0.04 -0.76 0.23 0.00 0.00 176.35 176.00 1kd0 s LEU 57 N 0.26 4.22 -0.14 1.79 1.43 -0.51 -0.36 118.68 125.36 1kd0 s LEU 57 Ca -0.14 -1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 51.13 1kd0 s LEU 57 Cb -0.17 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1kd0 s LEU 57 CO 0.07 -0.32 1.00 -0.69 0.23 0.00 0.00 176.35 176.64 1kd0 s VAL 58 N 1.18 4.77 0.43 -1.59 1.01 0.05 -0.82 120.40 125.42 1kd0 s VAL 58 Ca -0.01 2.01 -0.10 0.00 0.00 0.00 0.00 61.98 63.88 1kd0 s VAL 58 Cb -0.20 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.82 1kd0 s VAL 58 CO -0.03 -0.03 0.79 -0.76 0.00 0.00 0.00 175.10 175.07 1kd0 s LEU 59 N 2.27 3.77 0.45 3.92 1.43 0.09 -0.10 118.68 130.51 1kd0 s LEU 59 Ca 0.47 1.11 0.19 0.00 -1.03 0.00 0.00 54.13 54.87 1kd0 s LEU 59 Cb -0.17 -4.02 1.15 0.00 0.03 0.00 0.00 46.19 43.18 1kd0 s LEU 59 CO 0.15 -0.45 1.93 -0.08 0.23 0.00 0.00 176.35 178.13 1kd0 h GLU 60 N 1.02 0.30 -0.00 1.70 4.81 -1.43 0.12 114.58 121.09 1kd0 h GLU 60 Ca -0.47 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1kd0 h GLU 60 Cb 1.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.50 1kd0 h GLU 60 CO 0.63 0.20 -0.04 -0.40 -0.73 0.00 0.00 179.01 178.67 1kd0 n ASP 61 N -4.45 0.54 0.00 1.04 5.75 -1.26 -4.93 116.55 113.24 1kd0 n ASP 61 Ca 0.14 -0.93 0.00 0.00 -0.01 0.00 0.00 54.79 53.99 1kd0 n ASP 61 Cb 0.59 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 1kd0 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kd0 n GLY 62 N 1.16 1.98 3.73 6.12 0.00 0.41 -5.07 105.19 113.52 1kd0 n GLY 62 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1kd0 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1kd0 s GLN 63 N -0.85 2.19 -0.20 1.61 -0.21 -1.26 -4.76 119.66 116.18 1kd0 s GLN 63 Ca 0.00 1.69 0.01 0.00 0.02 0.00 0.00 55.36 57.08 1kd0 s GLN 63 Cb 0.00 -1.85 0.04 0.00 1.00 0.00 0.00 33.01 32.20 1kd0 s GLN 63 CO 0.00 -1.78 -0.11 0.08 -2.12 0.00 0.00 175.29 171.36 1kd0 s VAL 64 N -2.08 1.69 0.23 1.09 1.01 -1.26 -0.73 120.40 120.35 1kd0 s VAL 64 Ca 0.73 -1.03 -0.21 0.00 0.00 0.00 0.00 61.98 61.47 1kd0 s VAL 64 Cb -0.27 -1.75 -0.08 0.00 0.00 0.00 0.00 36.38 34.27 1kd0 s VAL 64 CO 0.45 0.18 0.75 0.00 0.00 0.00 0.00 175.10 176.49 1kd0 s ALA 65 N 1.38 3.39 -0.06 5.51 0.00 -0.00 -4.92 121.76 127.06 1kd0 s ALA 65 Ca -0.01 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 1kd0 s ALA 65 Cb -0.16 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.13 1kd0 s ALA 65 CO -0.08 0.31 0.10 -1.58 0.00 0.00 0.00 175.76 174.51 1kd0 s HIS 66 N -1.52 -0.06 0.16 0.00 5.04 -1.26 -1.43 115.29 116.22 1kd0 s HIS 66 Ca 0.43 0.40 0.08 0.00 -1.54 0.00 0.00 55.06 54.43 1kd0 s HIS 66 Cb -0.17 -0.32 -0.04 0.00 0.04 0.00 0.00 32.58 32.09 1kd0 s HIS 66 CO 0.21 -0.20 -0.17 0.20 -2.34 0.00 0.00 174.74 172.45 1kd0 s GLY 67 N 1.95 1.31 -0.17 1.59 0.00 -0.40 -4.43 107.32 107.17 1kd0 s GLY 67 Ca 0.01 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.28 1kd0 s GLY 67 CO -0.04 -1.52 -0.17 0.99 0.00 0.00 0.00 173.10 172.36 1kd0 s ASP 68 N -2.70 2.99 0.17 1.64 1.01 -1.26 -0.65 116.67 117.87 1kd0 s ASP 68 Ca 0.15 -0.61 -0.30 0.00 0.71 0.00 0.00 52.55 52.50 1kd0 s ASP 68 Cb -0.05 -1.36 -0.08 0.00 1.01 0.00 0.00 42.92 42.45 1kd0 s ASP 68 CO 0.06 -0.03 1.15 0.00 0.21 0.00 0.00 175.17 176.56 1kd0 s ALA 70 N -0.03 -1.48 0.17 0.00 0.00 -1.24 -2.20 121.76 116.98 1kd0 s ALA 70 Ca 0.52 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1kd0 s ALA 70 Cb -0.31 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 1kd0 s ALA 70 CO 0.35 -0.83 -0.01 0.00 0.00 0.00 0.00 175.76 175.27 1kd0 s ALA 71 N -3.79 1.34 1.08 0.00 0.00 -1.26 -4.39 121.76 114.74 1kd0 s ALA 71 Ca 0.03 -1.56 -0.12 0.00 0.00 0.00 0.00 51.96 50.31 1kd0 s ALA 71 Cb -0.02 0.46 0.24 0.00 0.00 0.00 0.00 23.12 23.80 1kd0 s ALA 71 CO -0.08 -0.29 1.06 0.14 0.00 0.00 0.00 175.76 176.59 1kd0 s VAL 72 N -3.61 2.08 0.20 0.00 -7.23 -1.26 -4.50 120.40 106.08 1kd0 s VAL 72 Ca 0.22 0.03 -0.11 0.00 -1.81 0.00 0.00 61.98 60.31 1kd0 s VAL 72 Cb 0.06 -2.13 0.12 0.00 0.56 0.00 0.00 36.38 34.98 1kd0 s VAL 72 CO 0.03 -0.04 1.78 -0.61 -0.31 0.00 0.00 175.10 175.96 1kd0 h GLN 73 N -2.36 0.53 -1.75 4.82 4.15 -1.90 -2.88 115.11 115.72 1kd0 h GLN 73 Ca -0.56 -0.03 -0.42 0.00 0.77 0.00 0.00 58.65 58.40 1kd0 h GLN 73 Cb 1.32 -0.12 -0.16 0.00 0.21 0.00 0.00 27.48 28.73 1kd0 h GLN 73 CO 0.49 0.35 0.41 0.66 -1.93 0.00 0.00 178.83 178.81 1kd0 n TYR 74 N -4.88 1.61 -1.71 3.99 0.53 -1.26 -1.94 117.16 113.50 1kd0 n TYR 74 Ca 0.07 -1.99 -0.43 0.00 -1.02 0.00 0.00 57.90 54.53 1kd0 n TYR 74 Cb 0.18 -1.20 -0.02 0.00 -1.03 0.00 0.00 39.34 37.27 1kd0 n TYR 74 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1kd0 n SER 75 N 0.60 3.15 0.00 7.72 2.88 -1.09 -1.81 113.62 125.07 1kd0 n SER 75 Ca 0.41 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 59.11 1kd0 n SER 75 Cb 0.57 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 1kd0 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1kd0 n GLY 76 N 1.73 1.08 3.64 0.46 0.00 -1.03 -4.52 105.19 106.57 1kd0 n GLY 76 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1kd0 n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kd0 s ALA 77 N -3.26 0.69 -0.07 4.61 0.00 -0.75 -4.79 121.76 118.19 1kd0 s ALA 77 Ca 0.00 -0.39 -0.39 0.00 0.00 0.00 0.00 51.96 51.18 1kd0 s ALA 77 Cb 0.00 -3.11 -0.18 0.00 0.00 0.00 0.00 23.12 19.83 1kd0 s ALA 77 CO 0.00 -3.05 1.39 0.41 0.00 0.00 0.00 175.76 174.51 1kd0 n GLY 78 N -0.85 0.36 2.12 0.00 0.00 -1.26 -1.11 105.19 104.45 1kd0 n GLY 78 Ca 0.05 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.86 1kd0 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd0 n GLY 79 N 2.78 1.05 3.63 -0.02 0.00 -1.26 -5.04 105.19 106.33 1kd0 n GLY 79 Ca 0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 1kd0 n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kd0 s ARG 80 N -0.29 2.28 0.95 1.61 0.52 -0.27 -5.11 118.95 118.64 1kd0 s ARG 80 Ca 0.00 -1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 53.84 1kd0 s ARG 80 Cb 0.00 -2.24 0.17 0.00 0.52 0.00 0.00 34.95 33.40 1kd0 s ARG 80 CO 0.00 0.42 1.11 -0.51 0.02 0.00 0.00 175.30 176.34 1kd0 s ASP 81 N -3.19 2.71 0.85 0.23 1.01 -1.26 -4.61 116.67 112.41 1kd0 s ASP 81 Ca 0.28 1.94 -0.13 0.00 0.71 0.00 0.00 52.55 55.36 1kd0 s ASP 81 Cb -0.08 -2.47 0.08 0.00 1.01 0.00 0.00 42.92 41.46 1kd0 s ASP 81 CO 0.18 -3.19 1.02 -2.65 0.21 0.00 0.00 175.17 170.74 1kd0 n PRO 82 N -4.28 -0.04 -1.59 8.23 -0.02 -1.26 -2.45 135.00 133.59 1kd0 n PRO 82 Ca 0.09 0.06 -0.58 0.00 -2.02 0.00 0.00 63.50 61.05 1kd0 n PRO 82 Cb 0.53 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 1kd0 n PRO 82 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1kd0 n LEU 83 N -3.00 0.91 -4.19 2.45 7.94 -1.26 -4.41 117.00 115.43 1kd0 n LEU 83 Ca 0.12 1.14 -0.43 0.00 -1.11 0.00 0.00 56.01 55.73 1kd0 n LEU 83 Cb 0.51 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.45 1kd0 n LEU 83 CO 0.49 -1.34 1.67 0.33 -1.11 0.00 0.00 177.39 177.44 1kd0 n PHE 84 N 2.61 4.05 -3.19 1.96 7.35 -1.26 -4.95 117.46 124.03 1kd0 n PHE 84 Ca 0.22 -3.09 -0.39 0.00 -0.76 0.00 0.00 57.45 53.43 1kd0 n PHE 84 Cb 0.09 -2.09 -0.05 0.00 0.35 0.00 0.00 39.48 37.77 1kd0 n PHE 84 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1kd0 s LEU 85 N 0.86 4.33 0.21 -2.13 1.43 -1.26 -4.48 118.68 117.64 1kd0 s LEU 85 Ca 0.42 1.04 -0.09 0.00 -1.03 0.00 0.00 54.13 54.47 1kd0 s LEU 85 Cb 0.03 -2.90 0.22 0.00 0.03 0.00 0.00 46.19 43.57 1kd0 s LEU 85 CO 0.00 -0.02 1.85 0.00 0.23 0.00 0.00 176.35 178.42 1kd0 h ALA 86 N 6.46 0.98 0.00 4.21 0.00 -1.91 -2.06 119.26 126.93 1kd0 h ALA 86 Ca -0.42 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1kd0 h ALA 86 Cb 1.19 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 1kd0 h ALA 86 CO 0.74 0.24 -0.13 1.57 0.00 0.00 0.00 179.25 181.67 1kd0 h LYS 87 N 0.90 0.00 0.00 0.00 2.10 -1.96 0.14 116.57 117.75 1kd0 h LYS 87 Ca 0.30 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.94 1kd0 h LYS 87 Cb 0.04 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.37 1kd0 h LYS 87 CO -0.12 0.13 -0.23 -0.44 -2.00 0.00 0.00 179.45 176.79 1kd0 h ASP 88 N 0.00 0.00 0.00 7.07 3.32 -1.78 -3.40 116.42 121.63 1kd0 h ASP 88 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1kd0 h ASP 88 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1kd0 h ASP 88 CO 0.02 0.06 -1.37 0.49 -1.72 0.00 0.00 179.24 176.72 1kd0 n PHE 89 N -3.04 0.00 -0.14 4.55 3.01 -0.50 -4.58 117.46 116.76 1kd0 n PHE 89 Ca 0.03 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.45 1kd0 n PHE 89 Cb 0.56 -0.22 0.03 0.00 -0.01 0.00 0.00 39.48 39.84 1kd0 n PHE 89 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1kd0 h ILE 90 N 0.00 0.56 -0.55 4.37 2.04 -1.24 -2.29 117.51 120.40 1kd0 h ILE 90 Ca -0.07 -0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.86 1kd0 h ILE 90 Cb 0.72 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1kd0 h ILE 90 CO 0.00 0.00 0.37 -0.65 0.00 0.00 0.00 178.15 177.88 1kd0 h PRO 91 N 0.01 0.46 0.26 2.37 0.11 -1.81 -0.37 132.00 133.04 1kd0 h PRO 91 Ca 0.22 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.29 1kd0 h PRO 91 Cb 0.34 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1kd0 h PRO 91 CO -0.46 0.30 -0.13 0.28 -0.21 0.00 0.00 178.00 177.79 1kd0 h VAL 92 N 0.47 0.79 -0.12 3.15 2.07 -1.68 -0.70 116.25 120.24 1kd0 h VAL 92 Ca 0.24 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1kd0 h VAL 92 Cb 0.35 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1kd0 h VAL 92 CO -0.07 0.10 0.02 0.40 0.02 0.00 0.00 177.57 178.05 1kd0 h ILE 93 N -0.61 0.95 -0.90 4.57 2.04 -0.87 0.26 117.51 122.95 1kd0 h ILE 93 Ca -0.04 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1kd0 h ILE 93 Cb 0.44 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.35 1kd0 h ILE 93 CO 0.06 0.01 0.57 -0.33 0.00 0.00 0.00 178.15 178.46 1kd0 h GLU 94 N 0.07 1.20 0.16 2.37 5.08 -0.98 -1.10 114.58 121.40 1kd0 h GLU 94 Ca 0.05 -0.09 -0.33 0.00 -1.00 0.00 0.00 59.36 57.99 1kd0 h GLU 94 Cb 0.04 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.04 1kd0 h GLU 94 CO -0.07 0.82 -1.61 0.87 -1.00 0.00 0.00 179.01 178.03 1kd0 h LYS 95 N 1.23 0.35 0.00 2.33 1.57 -1.07 -3.38 116.57 117.60 1kd0 h LYS 95 Ca 0.33 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1kd0 h LYS 95 Cb -0.10 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1kd0 h LYS 95 CO -0.07 1.24 -1.49 0.39 -0.57 0.00 0.00 179.45 178.95 1kd0 n GLU 96 N -3.54 0.59 -0.05 3.15 -0.58 0.07 -4.68 120.64 115.60 1kd0 n GLU 96 Ca -0.20 -0.11 -0.09 0.00 -0.42 0.00 0.00 57.16 56.35 1kd0 n GLU 96 Cb 1.06 -1.28 -0.04 0.00 -0.57 0.00 0.00 31.44 30.62 1kd0 n GLU 96 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1kd0 n ILE 97 N -1.88 0.52 -0.18 -3.67 5.41 -0.62 -4.55 119.36 114.39 1kd0 n ILE 97 Ca -0.02 -0.15 -0.02 0.00 1.00 0.00 0.00 62.75 63.55 1kd0 n ILE 97 Cb 0.32 -1.40 0.04 0.00 -0.71 0.00 0.00 39.64 37.89 1kd0 n ILE 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kd0 h ALA 98 N -0.25 0.29 -0.01 -1.39 0.00 -1.42 0.11 119.26 116.60 1kd0 h ALA 98 Ca -0.23 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1kd0 h ALA 98 Cb 1.24 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 1kd0 h ALA 98 CO -0.11 -0.48 0.02 -1.35 0.00 0.00 0.00 179.25 177.33 1kd0 h PRO 99 N -0.04 0.00 0.00 0.00 0.11 -1.83 -0.51 132.00 129.72 1kd0 h PRO 99 Ca 0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.37 1kd0 h PRO 99 Cb 0.45 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.56 1kd0 h PRO 99 CO -0.59 0.00 -0.43 1.63 -0.21 0.00 0.00 178.00 178.40 1kd0 n LYS 100 N -3.29 0.11 -0.09 1.05 4.76 0.33 -4.04 118.16 116.99 1kd0 n LYS 100 Ca -0.03 0.04 -0.18 0.00 -2.87 0.00 0.00 58.31 55.27 1kd0 n LYS 100 Cb 0.09 -1.58 -0.13 0.00 -1.84 0.00 0.00 35.03 31.58 1kd0 n LYS 100 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1kd0 n LEU 101 N -1.74 2.68 -4.70 -0.35 4.77 -0.49 -4.78 117.00 112.39 1kd0 n LEU 101 Ca 0.05 -0.03 -0.42 0.00 -0.03 0.00 0.00 56.01 55.58 1kd0 n LEU 101 Cb 0.38 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.57 1kd0 n LEU 101 CO 0.34 0.88 1.17 -0.63 -1.33 0.00 0.00 177.39 177.82 1kd0 s ILE 102 N -2.53 3.25 0.00 -0.08 1.01 -0.32 -1.73 121.20 120.80 1kd0 s ILE 102 Ca -0.30 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.14 1kd0 s ILE 102 Cb 0.08 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 39.05 1kd0 s ILE 102 CO 0.66 0.03 0.00 0.61 0.00 0.00 0.00 174.94 176.24 1kd0 n GLY 103 N 3.71 0.71 3.77 6.18 0.00 0.94 -4.96 105.19 115.54 1kd0 n GLY 103 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 1kd0 n GLY 103 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kd0 s ARG 104 N -0.68 4.61 0.10 1.61 6.06 -0.71 -4.79 118.95 125.15 1kd0 s ARG 104 Ca 0.00 1.20 -0.28 0.00 -2.50 0.00 0.00 55.73 54.16 1kd0 s ARG 104 Cb 0.00 -3.27 -0.06 0.00 0.06 0.00 0.00 34.95 31.68 1kd0 s ARG 104 CO 0.00 0.54 0.87 -2.00 -2.50 0.00 0.00 175.30 172.22 1kd0 s GLU 105 N -1.08 4.63 -0.30 5.12 2.56 -1.26 -1.06 118.70 127.31 1kd0 s GLU 105 Ca 0.37 1.29 -0.27 0.00 0.00 0.00 0.00 54.97 56.35 1kd0 s GLU 105 Cb -0.23 -3.35 0.01 0.00 2.00 0.00 0.00 34.13 32.55 1kd0 s GLU 105 CO 0.27 0.30 0.98 0.42 -0.56 0.00 0.00 175.26 176.67 1kd0 s ILE 106 N -0.24 4.63 0.00 -3.70 1.01 -1.26 -4.95 121.20 116.69 1kd0 s ILE 106 Ca 0.42 1.63 0.00 0.00 0.00 0.00 0.00 60.65 62.70 1kd0 s ILE 106 Cb -0.23 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1kd0 s ILE 106 CO 0.27 -0.35 0.00 0.41 0.00 0.00 0.00 174.94 175.27 1kd0 n THR 107 N 5.67 0.00 -3.32 2.92 -1.04 -1.26 -4.98 114.28 112.27 1kd0 n THR 107 Ca 0.10 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.85 1kd0 n THR 107 Cb 0.47 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.96 1kd0 n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1kd0 s ASN 108 N -0.92 6.34 0.10 8.00 0.01 -1.26 -4.94 114.94 122.25 1kd0 s ASN 108 Ca 0.00 0.56 -0.15 0.00 -0.71 0.00 0.00 52.86 52.56 1kd0 s ASN 108 Cb 0.00 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.50 1kd0 s ASN 108 CO 0.00 -0.28 1.42 0.15 -1.51 0.00 0.00 177.10 176.88 1kd0 h PHE 109 N 1.02 0.83 -0.15 2.20 3.57 -1.94 -3.37 116.94 119.10 1kd0 h PHE 109 Ca -0.49 -0.25 0.03 0.00 3.53 0.00 0.00 57.97 60.79 1kd0 h PHE 109 Cb 1.21 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.74 1kd0 h PHE 109 CO 0.54 0.99 -0.04 -0.22 -2.23 0.00 0.00 178.31 177.34 1kd0 h LYS 110 N 0.43 -0.00 -0.69 1.11 3.64 -1.97 -0.15 116.57 118.94 1kd0 h LYS 110 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1kd0 h LYS 110 Cb 0.84 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1kd0 h LYS 110 CO 0.07 -0.00 0.00 -2.30 -2.27 0.00 0.00 179.45 174.95 1kd0 n PRO 111 N -5.17 0.19 0.00 1.90 -0.02 -1.26 -1.35 135.00 129.29 1kd0 n PRO 111 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.44 1kd0 n PRO 111 Cb 0.10 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 1kd0 n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kd0 n ALA 113 N 0.56 0.00 -0.34 3.55 0.00 -0.07 -1.95 120.51 122.26 1kd0 n ALA 113 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1kd0 n ALA 113 Cb 0.06 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.60 1kd0 n ALA 113 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kd0 h GLU 114 N 0.00 1.25 -0.08 0.00 5.08 -1.45 0.34 114.58 119.72 1kd0 h GLU 114 Ca 0.00 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.22 1kd0 h GLU 114 Cb 0.00 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 1kd0 h GLU 114 CO 0.00 0.90 0.05 1.49 -1.00 0.00 0.00 179.01 180.45 1kd0 h GLU 115 N 1.26 0.12 -0.01 2.33 4.81 -1.64 -1.92 114.58 119.53 1kd0 h GLU 115 Ca 0.32 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.39 1kd0 h GLU 115 Cb 0.00 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1kd0 h GLU 115 CO -0.05 0.16 -0.71 0.74 -0.73 0.00 0.00 179.01 178.42 1kd0 h PHE 116 N 0.04 0.05 -0.34 0.92 -1.00 -1.77 -3.05 116.94 111.80 1kd0 h PHE 116 Ca 0.03 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.74 1kd0 h PHE 116 Cb 0.08 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1kd0 h PHE 116 CO -0.04 0.73 0.02 0.22 -1.61 0.00 0.00 178.31 177.63 1kd0 h ASP 117 N 0.03 0.48 -3.64 2.17 3.58 -0.04 -3.47 116.42 115.53 1kd0 h ASP 117 Ca -0.01 -0.08 -0.77 0.00 0.42 0.00 0.00 57.03 56.59 1kd0 h ASP 117 Cb 1.25 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 41.88 1kd0 h ASP 117 CO 0.09 0.54 0.18 -0.54 -2.88 0.00 0.00 179.24 176.63 1kd0 s LYS 118 N -5.01 3.72 0.17 0.28 1.02 -0.75 -4.80 119.74 114.37 1kd0 s LYS 118 Ca -0.08 -2.98 -0.23 0.00 0.02 0.00 0.00 55.97 52.70 1kd0 s LYS 118 Cb 0.16 -4.33 0.06 0.00 -0.52 0.00 0.00 37.83 33.20 1kd0 s LYS 118 CO 0.76 -1.25 0.65 0.95 -0.92 0.00 0.00 175.35 175.53 1kd0 s THR 120 N -0.81 0.00 -0.12 2.17 -4.23 -1.26 -4.94 115.64 106.45 1kd0 s THR 120 Ca 0.26 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.56 1kd0 s THR 120 Cb -0.10 -1.18 0.05 0.00 1.34 0.00 0.00 72.50 72.61 1kd0 s THR 120 CO -0.09 0.00 0.09 -0.69 -0.54 0.00 0.00 174.62 173.39 1kd0 s VAL 121 N -3.73 -0.11 -1.17 2.29 1.01 -0.13 -4.73 120.40 113.83 1kd0 s VAL 121 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.04 1kd0 s VAL 121 Cb -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.97 1kd0 s VAL 121 CO -0.09 -0.08 1.02 0.59 0.00 0.00 0.00 175.10 176.53 1kd0 n ASN 122 N 5.29 -5.15 0.00 3.32 3.02 -1.26 -1.98 115.26 118.50 1kd0 n ASN 122 Ca -0.05 -0.49 0.00 0.00 -0.03 0.00 0.00 54.58 54.01 1kd0 n ASN 122 Cb 0.49 -4.53 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 1kd0 n ASN 122 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kd0 n GLY 123 N -1.70 0.41 3.52 7.41 0.00 -1.26 -4.98 105.19 108.58 1kd0 n GLY 123 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 1kd0 n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1kd0 s ASN 124 N -2.37 4.13 0.65 1.61 0.01 -0.84 -5.02 114.94 113.12 1kd0 s ASN 124 Ca 0.00 -0.35 -0.15 0.00 -0.71 0.00 0.00 52.86 51.64 1kd0 s ASN 124 Cb 0.00 -0.77 -0.00 0.00 0.41 0.00 0.00 41.25 40.89 1kd0 s ASN 124 CO 0.00 0.24 1.11 -0.60 -1.51 0.00 0.00 177.10 176.34 1kd0 s ARG 125 N -1.63 2.85 0.60 -0.60 3.52 -1.26 -0.95 118.95 121.49 1kd0 s ARG 125 Ca 0.17 1.39 -0.15 0.00 -0.13 0.00 0.00 55.73 57.01 1kd0 s ARG 125 Cb -0.11 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1kd0 s ARG 125 CO 0.08 -1.21 1.05 -0.51 -0.81 0.00 0.00 175.30 173.89 1kd0 s LEU 126 N -4.80 3.43 0.31 -0.88 1.43 -1.26 -4.85 118.68 112.06 1kd0 s LEU 126 Ca 0.67 1.72 -0.28 0.00 -1.03 0.00 0.00 54.13 55.22 1kd0 s LEU 126 Cb -0.20 -4.52 -0.14 0.00 0.03 0.00 0.00 46.19 41.36 1kd0 s LEU 126 CO 0.41 -1.13 1.02 1.57 0.23 0.00 0.00 176.35 178.45 1kd0 n HIS 127 N -2.22 1.30 -0.30 0.29 -0.00 -1.26 -4.83 115.22 108.20 1kd0 n HIS 127 Ca 0.08 0.68 0.12 0.00 -0.00 0.00 0.00 57.72 58.60 1kd0 n HIS 127 Cb 0.53 -2.25 0.29 0.00 -0.00 0.00 0.00 29.99 28.56 1kd0 n HIS 127 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1kd0 h THR 128 N 1.96 0.51 -0.29 3.57 1.35 -1.94 -2.02 112.91 116.04 1kd0 h THR 128 Ca -0.40 -0.14 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 1kd0 h THR 128 Cb 1.34 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.79 1kd0 h THR 128 CO 0.60 0.08 -0.12 0.00 -0.25 0.00 0.00 175.52 175.83 1kd0 h ALA 129 N 1.69 1.25 -0.17 6.62 0.00 -1.82 -0.59 119.26 126.23 1kd0 h ALA 129 Ca 0.54 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1kd0 h ALA 129 Cb 1.00 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1kd0 h ALA 129 CO -0.51 0.49 -0.04 0.82 0.00 0.00 0.00 179.25 180.01 1kd0 h ILE 130 N 0.46 1.29 -0.80 0.00 2.04 -1.71 -2.25 117.51 116.54 1kd0 h ILE 130 Ca 0.09 -1.01 0.01 0.00 1.00 0.00 0.00 64.86 64.95 1kd0 h ILE 130 Cb 0.49 1.60 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1kd0 h ILE 130 CO 0.03 0.30 0.52 0.03 0.00 0.00 0.00 178.15 179.03 1kd0 h ARG 131 N 0.04 1.05 -0.52 2.37 3.08 -1.23 0.23 114.38 119.40 1kd0 h ARG 131 Ca 0.04 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1kd0 h ARG 131 Cb 0.48 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1kd0 h ARG 131 CO 0.02 0.70 0.29 -0.92 -1.07 0.00 0.00 179.97 178.99 1kd0 h TYR 132 N 1.08 0.53 0.05 3.04 3.20 -0.89 -2.03 116.97 121.95 1kd0 h TYR 132 Ca 0.29 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.99 1kd0 h TYR 132 Cb -0.12 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 38.01 1kd0 h TYR 132 CO -0.02 0.28 -0.76 0.78 -1.64 0.00 0.00 178.16 176.80 1kd0 h GLY 133 N 0.56 0.49 0.87 1.82 0.00 -0.98 -2.72 103.07 103.12 1kd0 h GLY 133 Ca 0.22 -0.95 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1kd0 h GLY 133 CO -0.13 0.84 0.07 -2.22 0.00 0.00 0.00 176.54 175.09 1kd0 h ILE 134 N -0.07 1.20 -0.79 2.60 1.08 -0.54 -2.37 117.51 118.61 1kd0 h ILE 134 Ca -0.11 -0.62 -0.03 0.00 -0.39 0.00 0.00 64.86 63.71 1kd0 h ILE 134 Cb 1.49 1.18 -0.04 0.00 -3.07 0.00 0.00 36.82 36.39 1kd0 h ILE 134 CO 0.15 0.20 0.38 0.71 -0.69 0.00 0.00 178.15 178.89 1kd0 h THR 135 N 0.19 1.24 -0.34 -0.27 1.35 -1.42 -1.65 112.91 112.01 1kd0 h THR 135 Ca 0.07 -0.69 0.07 0.00 -0.55 0.00 0.00 66.41 65.32 1kd0 h THR 135 Cb 0.24 0.24 -0.08 0.00 -1.73 0.00 0.00 68.15 66.83 1kd0 h THR 135 CO -0.00 0.29 -0.16 1.56 -0.25 0.00 0.00 175.52 176.96 1kd0 h GLN 136 N 1.12 -0.10 -0.74 4.72 4.20 -1.31 -0.73 115.11 122.26 1kd0 h GLN 136 Ca 0.27 0.01 0.06 0.00 0.06 0.00 0.00 58.65 59.05 1kd0 h GLN 136 Cb 0.11 0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.85 1kd0 h GLN 136 CO -0.03 -0.07 0.42 0.00 -0.67 0.00 0.00 178.83 178.48 1kd0 h ALA 137 N 1.15 1.00 -0.42 3.87 0.00 -1.19 -0.68 119.26 122.99 1kd0 h ALA 137 Ca 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1kd0 h ALA 137 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1kd0 h ALA 137 CO -0.41 0.11 0.18 0.82 0.00 0.00 0.00 179.25 179.95 1kd0 h ILE 138 N 0.77 1.19 -0.04 0.00 2.04 -0.99 0.95 117.51 121.43 1kd0 h ILE 138 Ca 0.33 -0.57 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1kd0 h ILE 138 Cb 0.21 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 1kd0 h ILE 138 CO -0.19 0.21 -0.21 0.25 0.00 0.00 0.00 178.15 178.21 1kd0 h LEU 139 N 0.53 -0.63 -0.88 1.44 5.85 -0.90 -1.19 115.31 119.52 1kd0 h LEU 139 Ca 0.14 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.04 1kd0 h LEU 139 Cb 0.16 0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 1kd0 h LEU 139 CO -0.01 -0.27 0.53 -0.78 -0.34 0.00 0.00 178.44 177.56 1kd0 h ASP 140 N -0.32 0.80 -0.61 1.25 3.58 -0.96 -1.56 116.42 118.59 1kd0 h ASP 140 Ca 0.07 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1kd0 h ASP 140 Cb 0.42 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 1kd0 h ASP 140 CO -0.22 0.47 0.33 0.00 -2.88 0.00 0.00 179.24 176.94 1kd0 h ALA 141 N 1.46 0.79 -0.28 -0.78 0.00 -0.22 -1.06 119.26 119.17 1kd0 h ALA 141 Ca 0.41 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1kd0 h ALA 141 Cb 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1kd0 h ALA 141 CO -0.22 0.31 0.15 0.28 0.00 0.00 0.00 179.25 179.77 1kd0 h VAL 142 N 0.84 1.13 -0.99 0.00 2.07 -0.98 -0.68 116.25 117.64 1kd0 h VAL 142 Ca 0.22 -0.33 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1kd0 h VAL 142 Cb 0.05 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1kd0 h VAL 142 CO -0.03 0.12 0.64 0.00 0.02 0.00 0.00 177.57 178.32 1kd0 h ALA 143 N 1.03 1.27 0.00 1.67 0.00 -1.04 -0.81 119.26 121.36 1kd0 h ALA 143 Ca 0.10 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 1kd0 h ALA 143 Cb 0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1kd0 h ALA 143 CO -0.02 0.67 -0.87 0.87 0.00 0.00 0.00 179.25 179.90 1kd0 h LYS 144 N 1.35 0.00 -0.27 0.00 1.57 -1.05 0.12 116.57 118.30 1kd0 h LYS 144 Ca 0.36 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.97 1kd0 h LYS 144 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1kd0 h LYS 144 CO -0.08 0.87 -0.49 1.15 -0.57 0.00 0.00 179.45 180.34 1kd0 h THR 145 N 0.00 1.29 0.00 -0.16 2.02 -0.69 -2.93 112.91 112.44 1kd0 h THR 145 Ca -0.01 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1kd0 h THR 145 Cb 1.58 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.67 1kd0 h THR 145 CO 0.11 0.54 0.00 0.54 0.37 0.00 0.00 175.52 177.08 1kd0 n ARG 146 N -4.09 0.08 -3.63 6.66 1.74 -0.35 -4.94 116.66 112.13 1kd0 n ARG 146 Ca -0.05 0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.87 1kd0 n ARG 146 Cb 0.59 -1.59 0.06 0.00 -1.02 0.00 0.00 32.46 30.51 1kd0 n ARG 146 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1kd0 n LYS 147 N -1.72 -6.51 -4.48 5.56 4.76 0.32 -5.03 118.16 111.06 1kd0 n LYS 147 Ca 0.07 0.75 -0.25 0.00 -2.87 0.00 0.00 58.31 56.00 1kd0 n LYS 147 Cb 0.37 -5.67 -0.08 0.00 -1.84 0.00 0.00 35.03 27.81 1kd0 n LYS 147 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1kd0 n VAL 148 N -4.54 0.00 0.00 -0.18 0.24 -0.56 -5.02 118.33 108.28 1kd0 n VAL 148 Ca -0.14 -2.50 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 1kd0 n VAL 148 Cb 0.61 0.96 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 1kd0 n VAL 148 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1kd0 n THR 149 N -0.91 0.00 0.00 3.34 -2.24 -1.26 -4.44 114.28 108.77 1kd0 n THR 149 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1kd0 n THR 149 Cb 0.64 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1kd0 n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kd0 n ALA 151 N -3.00 0.00 -0.26 6.98 0.00 -1.26 -2.11 120.51 120.86 1kd0 n ALA 151 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1kd0 n ALA 151 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1kd0 n ALA 151 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1kd0 h GLU 152 N 0.00 1.03 -0.00 0.00 5.08 -1.93 -1.13 114.58 117.64 1kd0 h GLU 152 Ca 0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1kd0 h GLU 152 Cb 0.00 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 1kd0 h GLU 152 CO 0.00 0.83 -0.02 0.28 -1.00 0.00 0.00 179.01 179.10 1kd0 h VAL 153 N 1.00 0.96 -0.92 3.13 2.07 -1.80 -0.86 116.25 119.83 1kd0 h VAL 153 Ca 0.24 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 1kd0 h VAL 153 Cb 0.15 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1kd0 h VAL 153 CO -0.03 0.00 0.56 0.40 0.02 0.00 0.00 177.57 178.52 1kd0 h ILE 154 N -0.03 1.25 -0.35 4.57 1.08 -1.81 -2.00 117.51 120.22 1kd0 h ILE 154 Ca 0.01 -0.55 -0.05 0.00 -0.39 0.00 0.00 64.86 63.88 1kd0 h ILE 154 Cb 0.04 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.73 1kd0 h ILE 154 CO -0.02 0.26 0.03 -0.09 -0.69 0.00 0.00 178.15 177.64 1kd0 h ARG 155 N 1.27 0.61 -0.87 2.37 1.12 -0.96 0.32 114.38 118.23 1kd0 h ARG 155 Ca 0.33 -0.18 0.05 0.00 -1.11 0.00 0.00 59.98 59.07 1kd0 h ARG 155 Cb -0.06 -0.06 -0.06 0.00 -0.01 0.00 0.00 29.97 29.79 1kd0 h ARG 155 CO -0.06 0.70 0.55 -0.44 -3.11 0.00 0.00 179.97 177.61 1kd0 h ASP 156 N 0.43 0.89 0.79 -3.80 3.32 -0.93 -0.10 116.42 117.03 1kd0 h ASP 156 Ca 0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1kd0 h ASP 156 Cb 0.41 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.77 1kd0 h ASP 156 CO 0.01 0.59 -1.15 -0.62 -1.72 0.00 0.00 179.24 176.35 1kd0 n GLU 157 N -4.58 0.58 0.00 3.56 1.02 -0.77 -4.33 120.64 116.12 1kd0 n GLU 157 Ca 0.12 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1kd0 n GLU 157 Cb 0.13 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1kd0 n GLU 157 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1kd0 n TYR 158 N -2.54 0.00 -2.88 -0.32 4.02 0.07 -4.90 117.16 110.62 1kd0 n TYR 158 Ca -0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 1kd0 n TYR 158 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 1kd0 n TYR 158 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1kd0 n ASN 159 N -1.07 1.51 -4.77 7.72 5.15 -0.09 -5.03 115.26 118.68 1kd0 n ASN 159 Ca 0.00 -2.94 -0.40 0.00 -0.60 0.00 0.00 54.58 50.65 1kd0 n ASN 159 Cb 0.13 -0.56 0.01 0.00 -0.53 0.00 0.00 39.78 38.82 1kd0 n ASN 159 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kd0 s PRO 160 N -2.88 3.81 0.00 1.20 0.04 -0.92 -2.65 135.00 133.60 1kd0 s PRO 160 Ca 0.35 2.39 0.00 0.00 0.04 0.00 0.00 61.00 63.77 1kd0 s PRO 160 Cb 0.40 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1kd0 s PRO 160 CO -0.03 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.71 1kd0 n GLY 161 N 0.58 1.77 3.83 0.56 0.00 -1.26 -5.03 105.19 105.64 1kd0 n GLY 161 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1kd0 n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kd0 s ALA 162 N -2.69 3.07 0.33 4.61 0.00 -1.08 -5.05 121.76 120.95 1kd0 s ALA 162 Ca 0.00 0.25 -0.26 0.00 0.00 0.00 0.00 51.96 51.95 1kd0 s ALA 162 Cb 0.00 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.91 1kd0 s ALA 162 CO 0.00 -0.09 0.97 -1.21 0.00 0.00 0.00 175.76 175.43 1kd0 s GLU 163 N -3.73 4.51 -0.36 0.00 2.02 -1.26 -5.04 118.70 114.84 1kd0 s GLU 163 Ca 0.60 1.39 -0.14 0.00 0.02 0.00 0.00 54.97 56.84 1kd0 s GLU 163 Cb -0.10 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.35 1kd0 s GLU 163 CO 0.25 0.20 0.29 0.42 0.02 0.00 0.00 175.26 176.43 1kd0 s ILE 164 N -1.59 5.25 0.29 -1.63 1.01 -1.26 -4.91 121.20 118.35 1kd0 s ILE 164 Ca 0.51 -0.27 0.09 0.00 0.00 0.00 0.00 60.65 60.97 1kd0 s ILE 164 Cb -0.20 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.41 1kd0 s ILE 164 CO 0.26 -0.11 -0.11 0.20 0.00 0.00 0.00 174.94 175.18 1kd0 s ASN 165 N 1.72 3.17 0.32 3.58 0.01 -1.26 -4.98 114.94 117.50 1kd0 s ASN 165 Ca 0.07 -1.14 -0.26 0.00 -0.71 0.00 0.00 52.86 50.82 1kd0 s ASN 165 Cb -0.18 -0.24 -0.14 0.00 0.41 0.00 0.00 41.25 41.10 1kd0 s ASN 165 CO 0.11 -0.21 0.72 0.00 -1.51 0.00 0.00 177.10 176.21 1kd0 n ALA 166 N -0.63 -1.33 -2.77 0.60 0.00 -1.26 -4.88 120.51 110.24 1kd0 n ALA 166 Ca -0.06 0.32 -0.30 0.00 0.00 0.00 0.00 53.44 53.41 1kd0 n ALA 166 Cb 0.62 -1.83 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 1kd0 n ALA 166 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1kd0 s VAL 167 N -1.20 1.86 0.19 0.00 1.01 -1.26 -5.06 120.40 115.95 1kd0 s VAL 167 Ca 0.62 -0.96 -0.33 0.00 0.00 0.00 0.00 61.98 61.31 1kd0 s VAL 167 Cb -0.72 -1.58 -0.14 0.00 0.00 0.00 0.00 36.38 33.94 1kd0 s VAL 167 CO 0.58 0.52 1.50 -2.65 0.00 0.00 0.00 175.10 175.06 1kd0 n PRO 168 N 2.99 2.09 -3.61 2.72 -0.02 -1.26 -4.73 135.00 133.17 1kd0 n PRO 168 Ca -0.18 0.75 -0.37 0.00 -2.02 0.00 0.00 63.50 61.69 1kd0 n PRO 168 Cb 0.52 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.44 1kd0 n PRO 168 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1kd0 s VAL 169 N 0.48 5.33 -0.20 -1.45 1.01 -1.26 -0.58 120.40 123.73 1kd0 s VAL 169 Ca 0.74 0.28 -0.09 0.00 0.00 0.00 0.00 61.98 62.91 1kd0 s VAL 169 Cb -0.67 -3.54 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 1kd0 s VAL 169 CO 0.43 0.34 0.11 0.12 0.00 0.00 0.00 175.10 176.10 1kd0 s PHE 170 N 1.05 3.36 -0.03 5.22 5.36 0.74 -1.78 117.98 131.90 1kd0 s PHE 170 Ca 0.10 0.25 0.05 0.00 -0.96 0.00 0.00 56.93 56.37 1kd0 s PHE 170 Cb -0.14 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.38 1kd0 s PHE 170 CO 0.05 0.24 -0.18 0.00 -1.46 0.00 0.00 175.22 173.87 1kd0 s ALA 171 N 0.38 2.52 -0.07 11.12 0.00 -0.78 -0.39 121.76 134.55 1kd0 s ALA 171 Ca 0.07 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1kd0 s ALA 171 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.15 1kd0 s ALA 171 CO -0.01 0.55 -0.07 1.14 0.00 0.00 0.00 175.76 177.37 1kd0 s GLN 172 N -0.77 2.75 -0.02 0.00 -2.07 -1.26 -4.15 119.66 114.15 1kd0 s GLN 172 Ca 0.11 -0.54 0.18 0.00 -1.82 0.00 0.00 55.36 53.29 1kd0 s GLN 172 Cb -0.10 -2.60 -0.20 0.00 -1.09 0.00 0.00 33.01 29.01 1kd0 s GLN 172 CO 0.01 0.67 0.57 -1.13 -1.32 0.00 0.00 175.29 174.08 1kd0 n SER 173 N 2.20 0.47 0.00 12.60 3.41 -0.33 -4.82 113.62 127.14 1kd0 n SER 173 Ca -0.18 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1kd0 n SER 173 Cb 0.53 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.24 1kd0 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kd0 n GLY 174 N 1.45 0.50 0.09 5.00 0.00 -1.26 -3.28 105.19 107.68 1kd0 n GLY 174 Ca -0.14 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.12 1kd0 n GLY 174 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kd0 n ASP 175 N -2.27 0.48 -3.71 1.61 8.00 -1.26 -3.73 116.55 115.68 1kd0 n ASP 175 Ca 0.00 0.60 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 1kd0 n ASP 175 Cb 0.00 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 1kd0 n ASP 175 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1kd0 n ASP 176 N -2.01 6.30 -0.09 -2.24 2.03 -1.21 -4.73 116.55 114.61 1kd0 n ASP 176 Ca 0.03 -3.12 0.15 0.00 0.52 0.00 0.00 54.79 52.37 1kd0 n ASP 176 Cb 0.25 -1.43 0.70 0.00 -0.72 0.00 0.00 41.12 39.93 1kd0 n ASP 176 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1kd0 n ARG 177 N 2.99 0.73 -0.09 -0.67 1.85 -1.24 -2.10 116.66 118.13 1kd0 n ARG 177 Ca 0.49 -0.17 -0.16 0.00 -1.00 0.00 0.00 57.85 57.01 1kd0 n ARG 177 Cb 0.32 -1.50 -0.05 0.00 -1.05 0.00 0.00 32.46 30.18 1kd0 n ARG 177 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1kd0 n TYR 178 N -0.99 0.00 -0.14 2.89 4.02 -1.26 -4.38 117.16 117.30 1kd0 n TYR 178 Ca 0.16 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.98 1kd0 n TYR 178 Cb 0.24 -0.60 0.08 0.00 -0.02 0.00 0.00 39.34 39.04 1kd0 n TYR 178 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 176.86 175.41 1kd0 h ASP 179 N -0.78 0.90 0.54 7.72 5.19 -1.98 -2.70 116.42 125.31 1kd0 h ASP 179 Ca -0.30 -0.27 -0.05 0.00 -0.62 0.00 0.00 57.03 55.79 1kd0 h ASP 179 Cb 1.16 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.42 1kd0 h ASP 179 CO -0.18 1.00 -0.23 0.78 -3.12 0.00 0.00 179.24 177.48 1kd0 h ASN 180 N 0.82 0.00 -0.27 6.45 2.35 -1.71 -1.90 115.58 121.32 1kd0 h ASN 180 Ca 0.14 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1kd0 h ASN 180 Cb 0.60 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.95 1kd0 h ASN 180 CO 0.04 0.23 -0.19 0.58 -1.65 0.00 0.00 177.43 176.44 1kd0 h VAL 181 N 0.00 1.26 -0.22 2.81 2.07 -1.69 -2.98 116.25 117.51 1kd0 h VAL 181 Ca -0.00 -1.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.23 1kd0 h VAL 181 Cb 0.56 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 1kd0 h VAL 181 CO 0.03 0.42 0.05 0.44 0.02 0.00 0.00 177.57 178.53 1kd0 h ASP 182 N 0.64 0.34 0.00 0.57 3.32 -1.21 -0.95 116.42 119.14 1kd0 h ASP 182 Ca 0.10 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.91 1kd0 h ASP 182 Cb 0.67 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1kd0 h ASP 182 CO 0.05 0.49 0.00 0.29 -1.72 0.00 0.00 179.24 178.34 1kd0 n LYS 183 N -4.74 0.00 0.00 3.56 5.02 -1.06 -1.73 118.16 119.20 1kd0 n LYS 183 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1kd0 n LYS 183 Cb 0.18 -0.89 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 1kd0 n LYS 183 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1kd0 n ILE 185 N 0.45 0.00 -0.09 -0.18 5.41 -0.36 -1.57 119.36 123.03 1kd0 n ILE 185 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1kd0 n ILE 185 Cb 0.00 0.00 0.26 0.00 -0.71 0.00 0.00 39.64 39.19 1kd0 n ILE 185 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1kd0 h ILE 186 N 0.00 1.20 -0.10 1.39 2.04 -1.60 -1.93 117.51 118.51 1kd0 h ILE 186 Ca 0.00 -0.66 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1kd0 h ILE 186 Cb 0.00 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1kd0 h ILE 186 CO 0.00 0.25 0.00 0.29 0.00 0.00 0.00 178.15 178.69 1kd0 n LYS 187 N -4.32 1.92 -3.58 2.37 5.02 -0.61 -4.98 118.16 113.98 1kd0 n LYS 187 Ca 0.04 -1.35 -0.21 0.00 -2.02 0.00 0.00 58.31 54.76 1kd0 n LYS 187 Cb 0.18 -1.46 0.05 0.00 -0.02 0.00 0.00 35.03 33.78 1kd0 n LYS 187 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1kd0 n GLU 188 N 0.61 -3.97 -1.72 1.97 1.02 -0.73 -4.94 120.64 112.89 1kd0 n GLU 188 Ca 0.17 0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 57.56 1kd0 n GLU 188 Cb 0.43 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 1kd0 n GLU 188 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kd0 n ALA 189 N -4.04 1.52 0.12 0.62 0.00 -1.26 -4.92 120.51 112.55 1kd0 n ALA 189 Ca -0.22 0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1kd0 n ALA 189 Cb 0.65 -2.29 0.06 0.00 0.00 0.00 0.00 19.45 17.87 1kd0 n ALA 189 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1kd0 h ASP 190 N 2.45 0.00 -3.76 0.00 3.32 -1.71 -3.44 116.42 113.27 1kd0 h ASP 190 Ca -0.48 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.32 1kd0 h ASP 190 Cb 1.28 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.55 1kd0 h ASP 190 CO 0.62 0.68 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.40 1kd0 s VAL 191 N -3.13 0.10 0.21 -1.35 1.01 -0.73 -1.59 120.40 114.93 1kd0 s VAL 191 Ca 0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.72 1kd0 s VAL 191 Cb 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 36.38 36.43 1kd0 s VAL 191 CO 0.76 0.03 0.70 -1.48 0.00 0.00 0.00 175.10 175.12 1kd0 s LEU 192 N 0.02 -0.37 -0.10 3.92 2.34 -0.51 -1.86 118.68 122.12 1kd0 s LEU 192 Ca 0.00 -0.34 0.14 0.00 0.06 0.00 0.00 54.13 53.99 1kd0 s LEU 192 Cb -0.01 2.61 0.22 0.00 -0.56 0.00 0.00 46.19 48.44 1kd0 s LEU 192 CO -0.00 -1.14 1.11 -0.81 -1.06 0.00 0.00 176.35 174.44 1kd0 n PRO 193 N -0.42 1.01 0.00 1.48 -0.04 -1.19 -0.28 135.00 135.55 1kd0 n PRO 193 Ca -0.09 -2.18 0.00 0.00 -0.04 0.00 0.00 63.50 61.19 1kd0 n PRO 193 Cb 0.61 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.82 1kd0 n PRO 193 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1kd0 n HIS 194 N -1.08 0.00 -0.63 0.54 -0.00 0.05 -1.19 115.22 112.91 1kd0 n HIS 194 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.84 1kd0 n HIS 194 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.64 1kd0 n HIS 194 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kd0 n ALA 195 N 0.00 0.00 -3.94 1.57 0.00 -1.26 -1.26 120.51 115.62 1kd0 n ALA 195 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 1kd0 n ALA 195 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 19.45 19.37 1kd0 n ALA 195 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1kd0 n LEU 196 N 0.00 -1.13 -4.40 0.00 7.94 -1.26 -4.77 117.00 113.38 1kd0 n LEU 196 Ca 0.00 -1.20 -0.44 0.00 -1.11 0.00 0.00 56.01 53.27 1kd0 n LEU 196 Cb 0.00 -1.87 0.00 0.00 0.53 0.00 0.00 43.42 42.08 1kd0 n LEU 196 CO 0.00 0.69 1.50 -0.38 -1.11 0.00 0.00 177.39 178.09 1kd0 n ILE 197 N -4.69 4.25 -0.78 1.96 2.08 -0.69 -4.76 119.36 116.72 1kd0 n ILE 197 Ca -0.11 -4.65 0.08 0.00 0.56 0.00 0.00 62.75 58.63 1kd0 n ILE 197 Cb 0.57 -2.45 0.27 0.00 -0.75 0.00 0.00 39.64 37.29 1kd0 n ILE 197 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1kd0 n ASN 198 N 5.59 4.08 -3.70 4.38 6.94 -1.26 -3.78 115.26 127.51 1kd0 n ASN 198 Ca 0.38 -2.74 -0.15 0.00 -0.02 0.00 0.00 54.58 52.05 1kd0 n ASN 198 Cb 0.42 -0.51 -0.15 0.00 -2.36 0.00 0.00 39.78 37.19 1kd0 n ASN 198 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1kd0 s ASN 199 N -1.46 0.32 0.06 0.53 3.84 -1.26 -5.04 114.94 111.93 1kd0 s ASN 199 Ca 0.42 0.38 -0.26 0.00 0.21 0.00 0.00 52.86 53.61 1kd0 s ASN 199 Cb 0.31 0.33 -0.17 0.00 -0.55 0.00 0.00 41.25 41.17 1kd0 s ASN 199 CO 0.13 -0.21 1.59 0.58 -2.79 0.00 0.00 177.10 176.40 1kd0 h VAL 200 N 6.21 0.89 0.78 -5.21 2.07 -1.92 -1.32 116.25 117.76 1kd0 h VAL 200 Ca -0.25 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1kd0 h VAL 200 Cb 1.13 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1kd0 h VAL 200 CO 0.25 0.06 -0.42 -0.33 0.02 0.00 0.00 177.57 177.14 1kd0 h GLU 201 N -0.34 -1.07 0.00 1.57 5.08 -1.96 0.44 114.58 118.29 1kd0 h GLU 201 Ca -0.02 0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1kd0 h GLU 201 Cb 0.26 0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1kd0 h GLU 201 CO 0.04 -0.72 -0.42 0.93 -1.00 0.00 0.00 179.01 177.84 1kd0 h GLU 202 N -1.11 0.00 0.00 2.33 5.08 -1.97 -3.35 114.58 115.56 1kd0 h GLU 202 Ca -0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1kd0 h GLU 202 Cb 0.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1kd0 h GLU 202 CO 0.14 0.00 -0.83 1.63 -1.00 0.00 0.00 179.01 178.96 1kd0 n LYS 203 N -2.75 0.00 0.02 2.33 5.02 -0.53 -4.79 118.16 117.46 1kd0 n LYS 203 Ca 0.03 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.13 1kd0 n LYS 203 Cb 0.52 -0.63 -0.11 0.00 -0.02 0.00 0.00 35.03 34.78 1kd0 n LYS 203 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kd0 h LEU 204 N 0.00 0.67 0.00 -0.35 5.85 -1.35 -3.25 115.31 116.89 1kd0 h LEU 204 Ca 0.00 -0.76 0.00 0.00 0.84 0.00 0.00 57.88 57.96 1kd0 h LEU 204 Cb 0.83 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1kd0 h LEU 204 CO 0.00 1.35 0.00 0.61 -0.34 0.00 0.00 178.44 180.06 1kd0 n GLY 205 N 1.10 1.21 0.50 3.75 0.00 0.13 -1.42 105.19 110.46 1kd0 n GLY 205 Ca -0.11 -1.38 0.33 0.00 0.00 0.00 0.00 46.02 44.86 1kd0 n GLY 205 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kd0 h LEU 206 N 0.00 0.14 -3.07 0.99 3.38 -1.76 0.61 115.31 115.60 1kd0 h LEU 206 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kd0 h LEU 206 Cb 0.00 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1kd0 h LEU 206 CO 0.00 0.01 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1kd0 n LYS 207 N -4.33 2.43 -0.89 1.13 5.02 -1.26 -4.80 118.16 115.45 1kd0 n LYS 207 Ca 0.27 -2.39 0.00 0.00 -2.02 0.00 0.00 58.31 54.17 1kd0 n LYS 207 Cb 1.20 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.72 1kd0 n LYS 207 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kd0 n GLY 208 N -0.60 0.84 0.38 0.72 0.00 0.21 -4.93 105.19 101.81 1kd0 n GLY 208 Ca 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 1kd0 n GLY 208 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1kd0 h GLU 209 N 2.69 1.25 -0.09 1.61 9.09 -1.72 -2.09 114.58 125.32 1kd0 h GLU 209 Ca 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 59.36 59.30 1kd0 h GLU 209 Cb 0.00 -0.28 -0.00 0.00 -1.65 0.00 0.00 28.75 26.82 1kd0 h GLU 209 CO 0.00 0.83 -0.08 0.87 0.05 0.00 0.00 179.01 180.68 1kd0 h LYS 210 N 1.29 0.21 -0.65 1.06 1.57 -1.57 -2.43 116.57 116.05 1kd0 h LYS 210 Ca 0.39 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1kd0 h LYS 210 Cb -0.03 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1kd0 h LYS 210 CO -0.12 0.62 0.41 1.25 -0.57 0.00 0.00 179.45 181.04 1kd0 h LEU 211 N -0.19 0.76 -0.49 2.94 5.85 -1.11 -0.53 115.31 122.54 1kd0 h LEU 211 Ca 0.02 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.76 1kd0 h LEU 211 Cb 0.57 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 1kd0 h LEU 211 CO 0.02 0.57 0.22 0.25 -0.34 0.00 0.00 178.44 179.16 1kd0 h LEU 212 N 0.89 0.28 -0.65 2.25 5.85 -1.19 -0.25 115.31 122.49 1kd0 h LEU 212 Ca 0.24 0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.86 1kd0 h LEU 212 Cb -0.06 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1kd0 h LEU 212 CO -0.05 0.20 -0.40 -0.33 -0.34 0.00 0.00 178.44 177.52 1kd0 h GLU 213 N 0.43 0.59 -0.60 1.25 4.39 -0.83 -2.41 114.58 117.40 1kd0 h GLU 213 Ca 0.23 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1kd0 h GLU 213 Cb 0.18 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1kd0 h GLU 213 CO -0.19 0.89 0.34 -0.92 -1.16 0.00 0.00 179.01 177.97 1kd0 h TYR 214 N 0.49 0.81 -0.69 4.33 3.20 -0.41 0.43 116.97 125.13 1kd0 h TYR 214 Ca 0.04 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1kd0 h TYR 214 Cb 0.91 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1kd0 h TYR 214 CO 0.04 0.58 0.40 0.28 -1.64 0.00 0.00 178.16 177.81 1kd0 h VAL 215 N 0.81 1.21 -0.48 1.81 2.07 -0.92 0.12 116.25 120.87 1kd0 h VAL 215 Ca 0.21 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1kd0 h VAL 215 Cb 0.03 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1kd0 h VAL 215 CO -0.04 0.22 0.22 0.11 0.02 0.00 0.00 177.57 178.10 1kd0 h LYS 216 N 0.94 0.69 -0.66 1.57 1.57 -0.84 -0.89 116.57 118.96 1kd0 h LYS 216 Ca 0.25 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1kd0 h LYS 216 Cb 0.01 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.16 1kd0 h LYS 216 CO -0.04 0.60 0.41 2.35 -0.57 0.00 0.00 179.45 182.20 1kd0 h TRP 217 N 0.62 0.76 -0.32 -1.35 7.01 0.57 -1.73 115.95 121.51 1kd0 h TRP 217 Ca 0.16 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 1kd0 h TRP 217 Cb 0.15 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1kd0 h TRP 217 CO -0.00 0.43 0.10 1.25 -2.79 0.00 0.00 178.44 177.43 1kd0 h LEU 218 N 0.80 0.47 0.08 0.65 5.85 -0.46 0.37 115.31 123.07 1kd0 h LEU 218 Ca 0.27 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1kd0 h LEU 218 Cb 0.03 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1kd0 h LEU 218 CO -0.11 0.56 -0.32 -0.09 -0.34 0.00 0.00 178.44 178.13 1kd0 h ARG 219 N 0.37 -0.50 -0.50 1.25 2.43 -1.09 -1.31 114.38 115.02 1kd0 h ARG 219 Ca 0.10 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1kd0 h ARG 219 Cb 0.25 0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1kd0 h ARG 219 CO -0.00 -0.34 0.30 -0.44 -1.51 0.00 0.00 179.97 177.98 1kd0 h ASP 220 N -0.52 0.60 -0.95 -3.80 3.32 -0.96 -2.59 116.42 111.51 1kd0 h ASP 220 Ca 0.04 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.09 1kd0 h ASP 220 Cb 0.57 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1kd0 h ASP 220 CO -0.21 0.48 0.62 -0.09 -1.72 0.00 0.00 179.24 178.31 1kd0 h ARG 221 N 0.67 1.09 -0.38 3.56 9.65 0.04 -0.13 114.38 128.87 1kd0 h ARG 221 Ca 0.18 -0.07 -0.04 0.00 -1.10 0.00 0.00 59.98 58.95 1kd0 h ARG 221 Cb -0.01 -0.25 -0.02 0.00 -1.39 0.00 0.00 29.97 28.31 1kd0 h ARG 221 CO -0.03 0.72 0.07 0.82 2.80 0.00 0.00 179.97 184.35 1kd0 h ILE 222 N 1.13 1.24 -0.32 1.20 2.04 -0.89 0.73 117.51 122.63 1kd0 h ILE 222 Ca 0.40 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 1kd0 h ILE 222 Cb 0.14 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 1kd0 h ILE 222 CO -0.15 0.29 0.02 0.40 0.00 0.00 0.00 178.15 178.71 1kd0 h ILE 223 N 0.47 1.25 -0.61 -0.67 2.04 -1.01 0.14 117.51 119.13 1kd0 h ILE 223 Ca 0.12 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 1kd0 h ILE 223 Cb 0.35 1.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1kd0 h ILE 223 CO 0.01 0.29 0.36 0.11 0.00 0.00 0.00 178.15 178.92 1kd0 h LYS 224 N 0.37 0.83 0.00 2.37 1.57 -0.92 -3.30 116.57 117.48 1kd0 h LYS 224 Ca 0.09 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1kd0 h LYS 224 Cb 0.40 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1kd0 h LYS 224 CO 0.01 0.60 -1.80 1.28 -0.57 0.00 0.00 179.45 178.97 1kd0 n LEU 225 N -4.61 0.38 -4.61 2.94 4.77 0.24 -4.97 117.00 111.14 1kd0 n LEU 225 Ca 0.04 0.16 -0.45 0.00 -0.03 0.00 0.00 56.01 55.73 1kd0 n LEU 225 Cb 0.06 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1kd0 n LEU 225 CO 0.36 0.16 0.72 -2.11 -1.33 0.00 0.00 177.39 175.19 1kd0 n ARG 226 N -2.64 1.52 -0.10 3.23 1.85 0.02 -4.89 116.66 115.66 1kd0 n ARG 226 Ca -0.13 0.54 -0.12 0.00 -1.00 0.00 0.00 57.85 57.14 1kd0 n ARG 226 Cb 0.81 -2.01 -0.04 0.00 -1.05 0.00 0.00 32.46 30.17 1kd0 n ARG 226 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1kd0 h VAL 227 N 2.41 1.29 -4.06 8.89 2.07 -1.90 -3.44 116.25 121.50 1kd0 h VAL 227 Ca -0.42 -1.19 -0.69 0.00 0.82 0.00 0.00 66.70 65.22 1kd0 h VAL 227 Cb 1.32 1.47 -0.24 0.00 -1.52 0.00 0.00 31.29 32.32 1kd0 h VAL 227 CO 0.66 0.38 -0.78 0.00 0.02 0.00 0.00 177.57 177.84 1kd0 s ARG 228 N -4.65 2.49 0.45 1.57 1.70 -1.26 -5.03 118.95 114.21 1kd0 s ARG 228 Ca -0.13 -0.72 0.20 0.00 -0.47 0.00 0.00 55.73 54.61 1kd0 s ARG 228 Cb 0.08 -2.35 1.16 0.00 -0.57 0.00 0.00 34.95 33.27 1kd0 s ARG 228 CO 0.79 0.61 1.88 0.93 -1.08 0.00 0.00 175.30 178.43 1kd0 h GLU 229 N 5.40 0.31 -0.48 3.89 5.08 -1.98 -1.50 114.58 125.29 1kd0 h GLU 229 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 1kd0 h GLU 229 Cb 1.15 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1kd0 h GLU 229 CO 0.50 0.20 0.00 -0.40 -1.00 0.00 0.00 179.01 178.31 1kd0 n ASP 230 N -4.46 2.44 -4.63 1.42 5.75 -1.26 -4.76 116.55 111.04 1kd0 n ASP 230 Ca 0.17 -2.10 -0.43 0.00 -0.01 0.00 0.00 54.79 52.43 1kd0 n ASP 230 Cb 0.69 -0.33 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1kd0 n ASP 230 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 1kd0 s TYR 231 N -1.56 2.61 -0.46 2.11 5.04 -0.57 -4.92 117.35 119.60 1kd0 s TYR 231 Ca 0.28 0.83 0.04 0.00 -2.44 0.00 0.00 57.07 55.78 1kd0 s TYR 231 Cb 0.16 -3.91 0.17 0.00 0.35 0.00 0.00 41.96 38.73 1kd0 s TYR 231 CO 0.16 -1.87 0.38 0.00 -1.34 0.00 0.00 175.55 172.88 1kd0 n ALA 232 N 7.71 2.95 -1.47 3.97 0.00 -1.26 -5.02 120.51 127.39 1kd0 n ALA 232 Ca 0.15 -3.38 -0.30 0.00 0.00 0.00 0.00 53.44 49.92 1kd0 n ALA 232 Cb 0.46 -0.80 0.11 0.00 0.00 0.00 0.00 19.45 19.22 1kd0 n ALA 232 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1kd0 s PRO 233 N -0.28 1.66 -0.10 0.00 0.04 -1.26 -5.00 135.00 130.05 1kd0 s PRO 233 Ca 0.32 0.60 -0.12 0.00 0.04 0.00 0.00 61.00 61.83 1kd0 s PRO 233 Cb 0.03 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1kd0 s PRO 233 CO -0.19 -1.90 0.29 0.42 0.04 0.00 0.00 177.00 175.66 1kd0 s ILE 234 N -3.13 5.27 0.14 0.56 1.01 -0.62 -4.44 121.20 119.99 1kd0 s ILE 234 Ca 0.62 0.56 -0.23 0.00 0.00 0.00 0.00 60.65 61.60 1kd0 s ILE 234 Cb -0.15 -3.60 -0.08 0.00 0.01 0.00 0.00 42.46 38.64 1kd0 s ILE 234 CO 0.55 0.51 0.71 -0.36 0.00 0.00 0.00 174.94 176.34 1kd0 s PHE 235 N -0.39 3.87 -0.18 3.97 0.40 0.16 -1.42 117.98 124.38 1kd0 s PHE 235 Ca 0.18 1.51 -0.04 0.00 -0.60 0.00 0.00 56.93 57.98 1kd0 s PHE 235 Cb -0.14 -2.67 0.08 0.00 0.51 0.00 0.00 43.02 40.80 1kd0 s PHE 235 CO 0.07 0.54 0.17 -1.58 0.70 0.00 0.00 175.22 175.12 1kd0 s HIS 236 N -1.14 -0.11 -0.13 0.36 2.46 0.61 -0.50 115.29 116.83 1kd0 s HIS 236 Ca 0.34 0.07 0.01 0.00 0.47 0.00 0.00 55.06 55.94 1kd0 s HIS 236 Cb -0.22 -0.47 -0.01 0.00 -0.13 0.00 0.00 32.58 31.76 1kd0 s HIS 236 CO 0.24 -0.55 -0.16 0.42 -2.47 0.00 0.00 174.74 172.22 1kd0 s ILE 237 N 2.26 2.73 -0.35 0.89 1.01 -0.59 -0.77 121.20 126.38 1kd0 s ILE 237 Ca 0.05 -0.77 -0.15 0.00 0.00 0.00 0.00 60.65 59.78 1kd0 s ILE 237 Cb -0.16 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 1kd0 s ILE 237 CO -0.11 0.53 0.37 -0.62 0.00 0.00 0.00 174.94 175.12 1kd0 s ASP 238 N 0.51 6.19 0.00 3.58 -1.08 -0.39 -0.28 116.67 125.19 1kd0 s ASP 238 Ca -0.11 -0.25 0.17 0.00 -0.52 0.00 0.00 52.55 51.83 1kd0 s ASP 238 Cb -0.16 -2.20 0.22 0.00 -1.46 0.00 0.00 42.92 39.32 1kd0 s ASP 238 CO 0.04 -0.36 1.13 1.33 0.52 0.00 0.00 175.17 177.83 1kd0 n VAL 239 N 5.26 0.27 -3.93 1.11 0.24 -0.53 -1.70 118.33 119.05 1kd0 n VAL 239 Ca -0.09 -0.64 -0.31 0.00 -2.04 0.00 0.00 64.34 61.27 1kd0 n VAL 239 Cb 0.49 1.12 0.01 0.00 -1.47 0.00 0.00 33.84 33.99 1kd0 n VAL 239 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1kd0 n TYR 240 N 0.97 -2.13 -0.96 6.34 4.02 -1.21 -0.69 117.16 123.49 1kd0 n TYR 240 Ca 0.12 0.84 0.00 0.00 -0.01 0.00 0.00 57.90 58.85 1kd0 n TYR 240 Cb 0.44 -3.66 0.00 0.00 -0.02 0.00 0.00 39.34 36.11 1kd0 n TYR 240 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1kd0 n GLY 241 N -1.58 0.93 0.20 2.72 0.00 0.18 -4.84 105.19 102.80 1kd0 n GLY 241 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 1kd0 n GLY 241 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1kd0 h THR 242 N 0.00 0.94 -0.25 2.61 1.35 -0.95 -1.01 112.91 115.60 1kd0 h THR 242 Ca 0.00 -1.30 -0.06 0.00 -0.55 0.00 0.00 66.41 64.50 1kd0 h THR 242 Cb 0.00 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1kd0 h THR 242 CO 0.00 0.33 -0.09 0.40 -0.25 0.00 0.00 175.52 175.91 1kd0 h ILE 243 N 0.00 1.29 -0.22 6.82 2.04 -1.63 -0.14 117.51 125.67 1kd0 h ILE 243 Ca -0.00 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1kd0 h ILE 243 Cb 0.74 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.30 1kd0 h ILE 243 CO 0.04 0.35 -0.10 1.23 0.00 0.00 0.00 178.15 179.68 1kd0 h GLY 244 N 0.23 0.09 1.26 5.37 0.00 0.43 -1.25 103.07 109.19 1kd0 h GLY 244 Ca 0.06 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1kd0 h GLY 244 CO 0.03 -0.12 0.33 0.00 0.00 0.00 0.00 176.54 176.78 1kd0 h ALA 245 N 1.12 1.30 0.00 3.60 0.00 -1.04 0.29 119.26 124.53 1kd0 h ALA 245 Ca 0.12 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1kd0 h ALA 245 Cb 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kd0 h ALA 245 CO -0.26 0.54 -0.18 0.00 0.00 0.00 0.00 179.25 179.34 1kd0 h ALA 246 N 1.40 0.91 0.00 0.00 0.00 -0.58 -3.27 119.26 117.73 1kd0 h ALA 246 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1kd0 h ALA 246 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kd0 h ALA 246 CO -0.03 0.23 -0.01 1.19 0.00 0.00 0.00 179.25 180.63 1kd0 n PHE 247 N -3.18 0.00 -1.52 0.00 3.01 -0.51 -4.88 117.46 110.38 1kd0 n PHE 247 Ca 0.02 -0.89 -0.17 0.00 1.01 0.00 0.00 57.45 57.42 1kd0 n PHE 247 Cb 0.55 -0.13 -0.07 0.00 -0.01 0.00 0.00 39.48 39.82 1kd0 n PHE 247 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1kd0 n ASP 248 N -1.25 -5.09 -2.27 4.37 8.00 0.01 -2.06 116.55 118.26 1kd0 n ASP 248 Ca 0.13 0.42 -0.21 0.00 0.71 0.00 0.00 54.79 55.84 1kd0 n ASP 248 Cb 0.58 -4.11 -0.02 0.00 -0.02 0.00 0.00 41.12 37.54 1kd0 n ASP 248 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1kd0 n VAL 249 N -2.52 -0.86 -2.73 2.53 0.31 -0.69 -4.92 118.33 109.45 1kd0 n VAL 249 Ca -0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.73 1kd0 n VAL 249 Cb 0.57 -2.84 -0.03 0.00 -0.91 0.00 0.00 33.84 30.63 1kd0 n VAL 249 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1kd0 s ASP 250 N -2.15 6.81 0.21 4.52 -1.08 -0.87 -4.89 116.67 119.21 1kd0 s ASP 250 Ca 0.00 0.84 -0.09 0.00 -0.52 0.00 0.00 52.55 52.77 1kd0 s ASP 250 Cb 0.00 -2.50 0.29 0.00 -1.46 0.00 0.00 42.92 39.25 1kd0 s ASP 250 CO 0.00 -0.85 1.73 0.40 0.52 0.00 0.00 175.17 176.96 1kd0 h ILE 251 N 5.76 0.71 -0.13 4.11 1.08 -1.91 -2.46 117.51 124.67 1kd0 h ILE 251 Ca -0.22 -0.12 -0.00 0.00 -0.39 0.00 0.00 64.86 64.13 1kd0 h ILE 251 Cb 1.07 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 35.15 1kd0 h ILE 251 CO 1.00 0.06 0.07 0.50 -0.69 0.00 0.00 178.15 179.09 1kd0 h LYS 252 N 0.34 0.18 -1.35 2.37 1.63 -1.97 -1.82 116.57 115.95 1kd0 h LYS 252 Ca 0.32 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1kd0 h LYS 252 Cb 0.43 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1kd0 h LYS 252 CO -0.35 0.20 0.00 0.00 -3.45 0.00 0.00 179.45 175.85 1kd0 n ALA 253 N -2.17 1.74 0.00 5.00 0.00 -0.93 -1.93 120.51 122.22 1kd0 n ALA 253 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1kd0 n ALA 253 Cb 0.07 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1kd0 n ALA 253 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kd0 n ALA 255 N 0.72 0.00 -0.12 0.00 0.00 -0.68 -1.87 120.51 118.56 1kd0 n ALA 255 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 1kd0 n ALA 255 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1kd0 n ALA 255 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1kd0 h ASP 256 N 0.00 0.40 0.82 0.00 3.32 -1.65 0.10 116.42 119.41 1kd0 h ASP 256 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1kd0 h ASP 256 Cb 0.00 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.47 1kd0 h ASP 256 CO 0.00 0.29 -0.39 0.22 -1.72 0.00 0.00 179.24 177.64 1kd0 h TYR 257 N 0.48 -1.02 -0.91 4.55 3.20 -1.64 -1.72 116.97 119.92 1kd0 h TYR 257 Ca 0.14 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.15 1kd0 h TYR 257 Cb -0.03 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 38.50 1kd0 h TYR 257 CO -0.06 -0.63 0.59 0.82 -1.64 0.00 0.00 178.16 177.23 1kd0 h ILE 258 N -1.12 0.77 -0.98 1.81 2.04 -1.80 0.31 117.51 118.54 1kd0 h ILE 258 Ca -0.11 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.58 1kd0 h ILE 258 Cb 0.85 0.10 -0.06 0.00 -0.74 0.00 0.00 36.82 36.97 1kd0 h ILE 258 CO 0.19 0.11 0.64 -0.61 0.00 0.00 0.00 178.15 178.48 1kd0 h GLN 259 N 0.62 1.18 -0.15 2.37 4.15 -0.35 -0.72 115.11 122.21 1kd0 h GLN 259 Ca 0.47 -0.07 -0.08 0.00 0.77 0.00 0.00 58.65 59.74 1kd0 h GLN 259 Cb 0.87 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1kd0 h GLN 259 CO -0.22 0.78 -0.28 1.79 -1.93 0.00 0.00 178.83 178.97 1kd0 h THR 260 N 1.22 1.26 -0.19 2.39 1.35 0.49 -1.46 112.91 117.98 1kd0 h THR 260 Ca 0.40 -1.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1kd0 h THR 260 Cb 0.04 1.46 -0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1kd0 h THR 260 CO -0.13 0.37 0.06 -0.07 -0.25 0.00 0.00 175.52 175.50 1kd0 h LEU 261 N 0.25 0.27 -0.86 3.87 3.38 -0.60 0.93 115.31 122.55 1kd0 h LEU 261 Ca 0.04 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1kd0 h LEU 261 Cb 0.63 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1kd0 h LEU 261 CO 0.05 0.39 0.55 0.00 0.09 0.00 0.00 178.44 179.52 1kd0 h ALA 262 N 0.89 1.15 -0.54 1.53 0.00 -1.00 0.09 119.26 121.38 1kd0 h ALA 262 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1kd0 h ALA 262 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1kd0 h ALA 262 CO -0.00 0.36 0.25 0.93 0.00 0.00 0.00 179.25 180.80 1kd0 h GLU 263 N 1.05 0.78 -0.34 0.00 4.39 -0.91 -2.59 114.58 116.96 1kd0 h GLU 263 Ca 0.35 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.88 1kd0 h GLU 263 Cb 0.06 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1kd0 h GLU 263 CO -0.13 0.65 -0.01 0.00 -1.16 0.00 0.00 179.01 178.35 1kd0 h ALA 264 N 1.09 1.35 0.00 3.43 0.00 -0.20 -2.96 119.26 121.96 1kd0 h ALA 264 Ca 0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1kd0 h ALA 264 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1kd0 h ALA 264 CO -0.02 0.45 -0.38 0.00 0.00 0.00 0.00 179.25 179.30 1kd0 h ALA 265 N 1.48 0.95 -1.42 0.00 0.00 -0.66 -3.42 119.26 116.19 1kd0 h ALA 265 Ca 0.11 -0.34 -0.72 0.00 0.00 0.00 0.00 54.91 53.95 1kd0 h ALA 265 Cb 0.35 -0.06 0.05 0.00 0.00 0.00 0.00 17.79 18.13 1kd0 h ALA 265 CO 0.01 0.47 0.29 1.63 0.00 0.00 0.00 179.25 181.65 1kd0 n LYS 266 N -3.47 0.70 -0.14 0.00 5.02 -1.01 0.54 118.16 119.80 1kd0 n LYS 266 Ca 0.00 0.25 0.05 0.00 -2.02 0.00 0.00 58.31 56.59 1kd0 n LYS 266 Cb 0.53 -1.83 0.13 0.00 -0.02 0.00 0.00 35.03 33.85 1kd0 n LYS 266 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1kd0 n PRO 267 N 2.09 1.66 -3.74 1.97 -0.04 -1.26 -5.07 135.00 130.61 1kd0 n PRO 267 Ca 0.19 -1.03 -0.34 0.00 -0.04 0.00 0.00 63.50 62.29 1kd0 n PRO 267 Cb 0.15 -1.23 -0.05 0.00 -0.04 0.00 0.00 33.50 32.33 1kd0 n PRO 267 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1kd0 s PHE 268 N -1.62 3.55 0.48 0.54 0.40 0.19 -5.06 117.98 116.45 1kd0 s PHE 268 Ca 0.20 0.57 -0.20 0.00 -0.60 0.00 0.00 56.93 56.89 1kd0 s PHE 268 Cb 0.10 -1.99 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 1kd0 s PHE 268 CO 0.13 0.57 1.00 -1.58 0.70 0.00 0.00 175.22 176.04 1kd0 s HIS 269 N -1.39 3.19 -0.05 0.36 5.65 -1.26 -4.68 115.29 117.09 1kd0 s HIS 269 Ca 0.31 1.57 0.03 0.00 0.25 0.00 0.00 55.06 57.22 1kd0 s HIS 269 Cb -0.13 -2.94 0.01 0.00 -1.18 0.00 0.00 32.58 28.34 1kd0 s HIS 269 CO 0.19 -0.49 -0.13 -1.17 -0.65 0.00 0.00 174.74 172.48 1kd0 s LEU 270 N -3.52 1.75 -0.11 8.88 2.96 -1.26 -0.67 118.68 126.71 1kd0 s LEU 270 Ca 0.64 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 1kd0 s LEU 270 Cb -0.12 -0.84 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 1kd0 s LEU 270 CO 0.20 0.07 -0.22 -0.13 -1.32 0.00 0.00 176.35 174.96 1kd0 s ARG 271 N 0.42 3.10 -0.15 1.98 0.52 0.34 -1.29 118.95 123.88 1kd0 s ARG 271 Ca -0.10 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.27 1kd0 s ARG 271 Cb -0.14 -2.38 -0.00 0.00 0.52 0.00 0.00 34.95 32.95 1kd0 s ARG 271 CO 0.03 0.15 -0.16 0.42 0.02 0.00 0.00 175.30 175.76 1kd0 s ILE 272 N 0.43 2.65 -0.13 1.52 -1.09 0.85 -1.55 121.20 123.88 1kd0 s ILE 272 Ca -0.16 -0.78 -0.05 0.00 -2.23 0.00 0.00 60.65 57.43 1kd0 s ILE 272 Cb -0.17 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.56 1kd0 s ILE 272 CO 0.07 0.52 0.06 -0.70 -1.23 0.00 0.00 174.94 173.66 1kd0 s GLU 273 N 0.73 3.49 -1.20 2.79 2.12 0.61 -1.01 118.70 126.22 1kd0 s GLU 273 Ca -0.07 -0.31 -0.03 0.00 0.36 0.00 0.00 54.97 54.92 1kd0 s GLU 273 Cb -0.16 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.16 1kd0 s GLU 273 CO 0.01 0.56 0.86 0.41 -0.54 0.00 0.00 175.26 176.56 1kd0 n GLY 274 N 2.63 -0.54 0.00 -1.50 0.00 -0.72 -1.45 105.19 103.61 1kd0 n GLY 274 Ca -0.18 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1kd0 n GLY 274 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kd0 n PRO 275 N -4.01 0.00 -2.90 1.61 -0.04 -1.26 0.51 135.00 128.91 1kd0 n PRO 275 Ca -0.24 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1kd0 n PRO 275 Cb 0.66 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1kd0 n PRO 275 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1kd0 s ASP 277 N -2.22 -0.56 0.49 3.54 2.15 -1.26 0.08 116.67 118.89 1kd0 s ASP 277 Ca 0.00 -0.23 0.02 0.00 0.43 0.00 0.00 52.55 52.77 1kd0 s ASP 277 Cb 0.00 0.81 0.07 0.00 -0.30 0.00 0.00 42.92 43.50 1kd0 s ASP 277 CO 0.00 -0.07 0.54 1.33 -0.17 0.00 0.00 175.17 176.80 1kd0 n VAL 278 N 4.02 0.00 0.09 1.11 0.24 -1.26 -5.02 118.33 117.51 1kd0 n VAL 278 Ca 0.07 -1.00 -0.11 0.00 -2.04 0.00 0.00 64.34 61.26 1kd0 n VAL 278 Cb 0.61 -0.95 -0.09 0.00 -1.47 0.00 0.00 33.84 31.94 1kd0 n VAL 278 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1kd0 h GLU 279 N 0.00 0.18 -5.97 7.34 3.07 -2.03 -3.46 114.58 113.71 1kd0 h GLU 279 Ca -0.18 -0.26 -0.54 0.00 -0.50 0.00 0.00 59.36 57.87 1kd0 h GLU 279 Cb 0.72 0.09 -0.15 0.00 -0.84 0.00 0.00 28.75 28.57 1kd0 h GLU 279 CO 0.21 1.07 -0.76 0.16 -1.40 0.00 0.00 179.01 178.30 1kd0 s ASP 280 N -6.96 3.07 0.20 1.42 -4.77 -1.26 -5.02 116.67 103.35 1kd0 s ASP 280 Ca -0.02 -0.99 -0.11 0.00 -3.30 0.00 0.00 52.55 48.13 1kd0 s ASP 280 Cb 0.09 -0.22 0.15 0.00 -1.09 0.00 0.00 42.92 41.86 1kd0 s ASP 280 CO 0.85 -0.04 1.86 -0.09 0.70 0.00 0.00 175.17 178.45 1kd0 h ARG 281 N 2.61 0.90 -0.19 2.11 2.43 -1.90 -0.27 114.38 120.07 1kd0 h ARG 281 Ca -0.40 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.71 1kd0 h ARG 281 Cb 1.23 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1kd0 h ARG 281 CO 0.58 0.60 0.11 0.37 -1.51 0.00 0.00 179.97 180.11 1kd0 h GLN 282 N 0.93 0.26 -0.08 0.20 5.75 -1.96 -2.59 115.11 117.62 1kd0 h GLN 282 Ca 0.27 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.64 1kd0 h GLN 282 Cb -0.07 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.42 1kd0 h GLN 282 CO -0.07 0.24 -0.41 0.87 -2.65 0.00 0.00 178.83 176.81 1kd0 h LYS 283 N 0.20 0.17 -0.17 1.69 1.57 -1.93 -1.23 116.57 116.88 1kd0 h LYS 283 Ca 0.07 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1kd0 h LYS 283 Cb 0.06 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1kd0 h LYS 283 CO -0.01 0.56 0.00 0.94 -0.57 0.00 0.00 179.45 180.37 1kd0 n GLN 284 N -4.03 0.11 0.00 3.15 -0.06 -0.13 -1.56 117.38 114.87 1kd0 n GLN 284 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 1kd0 n GLN 284 Cb 0.47 -1.07 0.00 0.00 -4.06 0.00 0.00 30.24 25.58 1kd0 n GLN 284 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1kd0 n GLU 286 N 0.46 0.00 0.00 3.69 1.02 -0.47 -4.55 120.64 120.80 1kd0 n GLU 286 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1kd0 n GLU 286 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 1kd0 n GLU 286 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kd0 n ALA 287 N 0.00 1.52 0.00 0.62 0.00 -0.60 -1.46 120.51 120.59 1kd0 n ALA 287 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1kd0 n ALA 287 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1kd0 n ALA 287 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1kd0 n ARG 289 N 0.48 0.00 -0.04 0.00 0.63 -1.26 -0.50 116.66 115.97 1kd0 n ARG 289 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1kd0 n ARG 289 Cb 0.09 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 32.99 1kd0 n ARG 289 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1kd0 h ASP 290 N 0.00 0.83 -0.21 6.15 3.32 -1.60 0.44 116.42 125.35 1kd0 h ASP 290 Ca 0.00 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.57 1kd0 h ASP 290 Cb 0.00 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1kd0 h ASP 290 CO 0.00 1.23 0.06 0.25 -1.72 0.00 0.00 179.24 179.05 1kd0 h LEU 291 N 0.56 0.31 -0.34 1.55 5.85 -1.04 0.35 115.31 122.55 1kd0 h LEU 291 Ca 0.00 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.57 1kd0 h LEU 291 Cb 1.17 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1kd0 h LEU 291 CO 0.12 0.45 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.51 1kd0 h ARG 292 N 0.16 0.01 -0.76 1.25 2.43 -1.77 -0.39 114.38 115.32 1kd0 h ARG 292 Ca 0.07 -0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 1kd0 h ARG 292 Cb 0.26 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 1kd0 h ARG 292 CO -0.00 0.01 0.45 0.00 -1.51 0.00 0.00 179.97 178.92 1kd0 h ALA 293 N 1.33 1.03 -0.15 2.80 0.00 -0.38 0.30 119.26 124.20 1kd0 h ALA 293 Ca 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1kd0 h ALA 293 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1kd0 h ALA 293 CO -0.34 0.15 -0.00 1.49 0.00 0.00 0.00 179.25 180.55 1kd0 h GLU 294 N 0.82 0.27 -0.62 0.00 4.57 -0.41 -0.82 114.58 118.40 1kd0 h GLU 294 Ca 0.34 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1kd0 h GLU 294 Cb 0.19 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.72 1kd0 h GLU 294 CO -0.18 0.50 0.40 -0.07 -1.18 0.00 0.00 179.01 178.48 1kd0 h LEU 295 N 0.01 0.72 -0.76 1.64 3.38 -0.83 -2.67 115.31 116.81 1kd0 h LEU 295 Ca 0.04 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1kd0 h LEU 295 Cb 0.38 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1kd0 h LEU 295 CO 0.01 0.54 0.50 0.44 0.09 0.00 0.00 178.44 180.02 1kd0 h ASP 296 N 0.84 0.85 0.22 -0.43 5.19 -0.27 -2.01 116.42 120.80 1kd0 h ASP 296 Ca 0.22 -0.02 -0.07 0.00 -0.62 0.00 0.00 57.03 56.55 1kd0 h ASP 296 Cb -0.07 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 1kd0 h ASP 296 CO -0.05 0.61 -0.27 1.23 -3.12 0.00 0.00 179.24 177.65 1kd0 h GLY 297 N 1.01 0.10 -0.91 2.75 0.00 -0.95 -2.36 103.07 102.71 1kd0 h GLY 297 Ca 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1kd0 h GLY 297 CO -0.07 0.07 0.00 0.54 0.00 0.00 0.00 176.54 177.08 1kd0 n ARG 298 N -4.18 1.78 -1.97 4.80 1.74 -0.97 -4.90 116.66 112.95 1kd0 n ARG 298 Ca -0.02 -1.18 -0.14 0.00 -0.77 0.00 0.00 57.85 55.75 1kd0 n ARG 298 Cb 0.34 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.36 1kd0 n ARG 298 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kd0 n GLY 299 N 1.16 0.35 3.54 -0.13 0.00 -0.89 -4.95 105.19 104.27 1kd0 n GLY 299 Ca 0.16 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 1kd0 n GLY 299 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kd0 s VAL 300 N -2.63 4.64 -1.23 1.61 1.01 -0.80 -4.97 120.40 118.04 1kd0 s VAL 300 Ca 0.00 0.45 -0.16 0.00 0.00 0.00 0.00 61.98 62.27 1kd0 s VAL 300 Cb 0.00 -4.32 0.13 0.00 0.00 0.00 0.00 36.38 32.19 1kd0 s VAL 300 CO 0.00 -0.72 1.54 1.51 0.00 0.00 0.00 175.10 177.43 1kd0 s ASP 301 N 2.13 6.96 0.01 3.32 -4.77 -1.26 -4.53 116.67 118.54 1kd0 s ASP 301 Ca 0.30 -2.73 0.04 0.00 -3.30 0.00 0.00 52.55 46.86 1kd0 s ASP 301 Cb -0.12 -2.47 -0.01 0.00 -1.09 0.00 0.00 42.92 39.22 1kd0 s ASP 301 CO 0.23 -0.93 -0.12 0.00 0.70 0.00 0.00 175.17 175.04 1kd0 s ALA 302 N 2.66 1.03 0.04 2.11 0.00 -1.26 -4.57 121.76 121.77 1kd0 s ALA 302 Ca 0.47 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.84 1kd0 s ALA 302 Cb -0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1kd0 s ALA 302 CO 0.02 0.22 -0.14 -1.21 0.00 0.00 0.00 175.76 174.65 1kd0 s GLU 303 N -0.68 2.20 -0.13 0.00 2.02 -0.41 -4.97 118.70 116.73 1kd0 s GLU 303 Ca 0.03 -0.92 -0.05 0.00 0.02 0.00 0.00 54.97 54.05 1kd0 s GLU 303 Cb -0.06 -2.29 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1kd0 s GLU 303 CO 0.00 0.55 0.04 -0.51 0.02 0.00 0.00 175.26 175.36 1kd0 s LEU 304 N -1.56 3.73 -0.16 1.80 1.43 -1.26 -0.10 118.68 122.56 1kd0 s LEU 304 Ca 0.16 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.39 1kd0 s LEU 304 Cb -0.11 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 1kd0 s LEU 304 CO 0.07 0.30 -0.09 -0.69 0.23 0.00 0.00 176.35 176.17 1kd0 s VAL 305 N -0.38 3.32 -0.00 -1.59 1.01 -0.18 -0.37 120.40 122.20 1kd0 s VAL 305 Ca 0.08 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.30 1kd0 s VAL 305 Cb -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1kd0 s VAL 305 CO 0.02 0.49 0.63 0.00 0.00 0.00 0.00 175.10 176.24 1kd0 s ALA 306 N 0.66 3.45 0.03 5.51 0.00 -1.26 -1.76 121.76 128.40 1kd0 s ALA 306 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.99 1kd0 s ALA 306 Cb -0.15 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1kd0 s ALA 306 CO 0.02 0.12 0.00 -3.47 0.00 0.00 0.00 175.76 172.43 1kd0 n ASP 307 N 2.86 -0.16 -4.61 0.00 2.03 -1.26 -1.64 116.55 113.76 1kd0 n ASP 307 Ca -0.06 0.06 -0.57 0.00 0.52 0.00 0.00 54.79 54.74 1kd0 n ASP 307 Cb 0.51 0.34 -0.07 0.00 -0.72 0.00 0.00 41.12 41.18 1kd0 n ASP 307 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1kd0 n GLU 308 N -2.59 0.66 -1.00 -0.67 -0.58 -1.26 -1.40 120.64 113.79 1kd0 n GLU 308 Ca 0.00 0.24 -0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1kd0 n GLU 308 Cb 0.00 -1.83 -0.00 0.00 -0.57 0.00 0.00 31.44 29.04 1kd0 n GLU 308 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 1kd0 n TRP 309 N 3.04 0.00 -3.86 -0.32 7.02 -1.26 -4.97 117.44 117.09 1kd0 n TRP 309 Ca 0.22 0.00 -0.30 0.00 -1.02 0.00 0.00 57.50 56.40 1kd0 n TRP 309 Cb 0.11 -0.76 -0.14 0.00 -2.42 0.00 0.00 31.31 28.10 1kd0 n TRP 309 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1kd0 n ASN 311 N 3.69 0.99 -4.66 0.00 3.02 -1.26 -4.80 115.26 112.23 1kd0 n ASN 311 Ca 0.05 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.47 1kd0 n ASN 311 Cb 0.36 -0.35 0.11 0.00 -0.61 0.00 0.00 39.78 39.29 1kd0 n ASN 311 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1kd0 s THR 312 N -2.19 2.11 0.18 3.41 -4.23 -1.26 -4.74 115.64 108.92 1kd0 s THR 312 Ca -0.08 -0.16 -0.12 0.00 -1.18 0.00 0.00 61.69 60.14 1kd0 s THR 312 Cb 0.02 -2.95 0.10 0.00 1.34 0.00 0.00 72.50 71.01 1kd0 s THR 312 CO 0.11 0.00 1.79 0.58 -0.54 0.00 0.00 174.62 176.57 1kd0 h VAL 313 N -1.00 1.21 -0.97 2.29 2.07 -1.95 0.05 116.25 117.94 1kd0 h VAL 313 Ca -0.44 -0.53 0.14 0.00 0.82 0.00 0.00 66.70 66.70 1kd0 h VAL 313 Cb 1.29 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 31.36 1kd0 h VAL 313 CO 0.53 0.23 0.59 -0.33 0.02 0.00 0.00 177.57 178.60 1kd0 h GLU 314 N 0.87 0.84 -0.23 1.57 3.07 -1.99 -1.56 114.58 117.16 1kd0 h GLU 314 Ca 0.22 -0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 58.96 1kd0 h GLU 314 Cb 0.05 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1kd0 h GLU 314 CO -0.03 0.56 -0.12 -0.44 -1.40 0.00 0.00 179.01 177.57 1kd0 h ASP 315 N 0.87 0.51 -0.72 1.42 3.32 -1.72 0.26 116.42 120.35 1kd0 h ASP 315 Ca 0.51 -0.42 0.13 0.00 0.02 0.00 0.00 57.03 57.27 1kd0 h ASP 315 Cb 0.61 -0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.93 1kd0 h ASP 315 CO -0.31 0.82 0.27 0.58 -1.72 0.00 0.00 179.24 178.88 1kd0 h VAL 316 N 0.20 0.66 -0.40 -1.35 2.07 -0.64 0.14 116.25 116.94 1kd0 h VAL 316 Ca 0.05 -0.14 -0.15 0.00 0.82 0.00 0.00 66.70 67.28 1kd0 h VAL 316 Cb 0.63 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1kd0 h VAL 316 CO 0.04 0.08 -0.35 0.50 0.02 0.00 0.00 177.57 177.85 1kd0 h LYS 317 N 0.41 0.92 0.05 1.57 3.64 -1.07 -1.70 116.57 120.39 1kd0 h LYS 317 Ca 0.39 -0.46 0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1kd0 h LYS 317 Cb 0.59 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1kd0 h LYS 317 CO -0.40 1.12 -0.20 0.35 -2.27 0.00 0.00 179.45 178.05 1kd0 h PHE 318 N 0.76 -0.53 -0.78 1.91 3.57 0.72 0.76 116.94 123.35 1kd0 h PHE 318 Ca 0.07 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1kd0 h PHE 318 Cb 0.93 0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 1kd0 h PHE 318 CO 0.06 -0.29 0.48 0.74 -2.23 0.00 0.00 178.31 177.07 1kd0 h PHE 319 N -0.35 1.02 -0.26 0.41 -1.00 -0.79 -2.83 116.94 113.14 1kd0 h PHE 319 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1kd0 h PHE 319 Cb 0.40 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1kd0 h PHE 319 CO -0.22 0.68 0.09 1.15 -1.61 0.00 0.00 178.31 178.40 1kd0 h THR 320 N 1.07 1.19 0.00 -1.55 2.02 -0.98 -1.01 112.91 113.64 1kd0 h THR 320 Ca 0.28 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 1kd0 h THR 320 Cb -0.05 1.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1kd0 h THR 320 CO -0.05 0.19 -0.07 0.44 0.37 0.00 0.00 175.52 176.40 1kd0 h ASP 321 N 0.27 0.00 -0.52 4.18 3.32 -0.76 -2.50 116.42 120.41 1kd0 h ASP 321 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1kd0 h ASP 321 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1kd0 h ASP 321 CO -0.00 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 1kd0 n ASN 322 N -3.32 3.41 -4.03 6.45 3.02 -1.03 -4.96 115.26 114.80 1kd0 n ASN 322 Ca -0.01 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.25 1kd0 n ASN 322 Cb 0.25 -0.34 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1kd0 n ASN 322 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1kd0 n LYS 323 N 1.11 -4.05 -2.52 3.52 5.02 -0.82 -4.79 118.16 115.63 1kd0 n LYS 323 Ca 0.18 0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 56.51 1kd0 n LYS 323 Cb 0.53 -5.09 0.00 0.00 -0.02 0.00 0.00 35.03 30.45 1kd0 n LYS 323 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kd0 n ALA 324 N -4.47 4.39 0.00 7.82 0.00 -0.45 -4.48 120.51 123.32 1kd0 n ALA 324 Ca -0.06 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1kd0 n ALA 324 Cb 0.56 -3.26 0.00 0.00 0.00 0.00 0.00 19.45 16.75 1kd0 n ALA 324 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kd0 n GLY 325 N 4.14 1.10 1.19 0.00 0.00 -1.26 -4.59 105.19 105.77 1kd0 n GLY 325 Ca 0.43 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.46 1kd0 n GLY 325 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kd0 n HIS 326 N 0.47 0.65 -3.70 1.61 -0.00 0.50 -4.97 115.22 109.77 1kd0 n HIS 326 Ca 0.00 -0.34 -0.12 0.00 -0.00 0.00 0.00 57.72 57.26 1kd0 n HIS 326 Cb 0.00 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 1kd0 n HIS 326 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1kd0 s VAL 328 N -1.29 -0.01 -0.23 1.59 1.01 -0.32 -1.65 120.40 119.50 1kd0 s VAL 328 Ca 0.41 0.03 -0.25 0.00 0.00 0.00 0.00 61.98 62.17 1kd0 s VAL 328 Cb 0.23 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1kd0 s VAL 328 CO 0.31 0.01 0.84 -1.58 0.00 0.00 0.00 175.10 174.69 1kd0 s GLN 329 N 0.69 4.21 -0.43 2.72 0.74 -0.65 -0.53 119.66 126.40 1kd0 s GLN 329 Ca -0.04 0.98 -0.16 0.00 0.05 0.00 0.00 55.36 56.20 1kd0 s GLN 329 Cb -0.05 -3.63 0.04 0.00 1.10 0.00 0.00 33.01 30.47 1kd0 s GLN 329 CO -0.05 -0.48 0.38 0.42 -0.55 0.00 0.00 175.29 175.01 1kd0 s ILE 330 N 2.71 5.19 -1.01 -2.34 1.01 0.64 -4.88 121.20 122.52 1kd0 s ILE 330 Ca 0.36 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.16 1kd0 s ILE 330 Cb -0.16 -4.03 0.15 0.00 0.01 0.00 0.00 42.46 38.43 1kd0 s ILE 330 CO 0.08 -0.44 1.20 -0.54 0.00 0.00 0.00 174.94 175.25 1kd0 s LYS 331 N 1.84 3.75 0.18 2.79 1.02 -1.26 -0.88 119.74 127.17 1kd0 s LYS 331 Ca 0.07 -2.04 -0.20 0.00 0.02 0.00 0.00 55.97 53.81 1kd0 s LYS 331 Cb -0.20 -4.94 0.11 0.00 -0.52 0.00 0.00 37.83 32.29 1kd0 s LYS 331 CO 0.10 -1.75 1.60 1.79 -0.92 0.00 0.00 175.35 176.18 1kd0 h THR 332 N 5.43 0.25 -0.03 2.17 1.35 -1.87 -1.48 112.91 118.72 1kd0 h THR 332 Ca 0.20 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.00 1kd0 h THR 332 Cb 0.98 0.25 -0.01 0.00 -1.73 0.00 0.00 68.15 67.64 1kd0 h THR 332 CO 1.13 0.00 -0.29 1.55 -0.25 0.00 0.00 175.52 177.67 1kd0 h PRO 333 N -0.17 0.06 0.00 4.72 0.13 -1.91 -2.57 132.00 132.27 1kd0 h PRO 333 Ca 0.22 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1kd0 h PRO 333 Cb 0.52 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1kd0 h PRO 333 CO -0.60 0.35 0.00 -0.44 -0.23 0.00 0.00 178.00 177.08 1kd0 h ASP 334 N 0.06 0.00 0.55 1.44 3.32 -1.64 -3.05 116.42 117.09 1kd0 h ASP 334 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1kd0 h ASP 334 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1kd0 h ASP 334 CO 0.04 0.00 -0.12 0.18 -1.72 0.00 0.00 179.24 177.62 1kd0 n LEU 335 N -3.02 0.29 0.00 1.55 4.77 -0.97 -4.94 117.00 114.69 1kd0 n LEU 335 Ca 0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 1kd0 n LEU 335 Cb 0.30 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1kd0 n LEU 335 CO 0.27 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1kd0 n GLY 336 N 1.35 2.19 3.70 -0.72 0.00 -1.15 -4.84 105.19 105.72 1kd0 n GLY 336 Ca 0.12 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 1kd0 n GLY 336 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd0 n GLY 337 N 0.00 1.21 0.15 -0.02 0.00 -1.26 -2.69 105.19 102.58 1kd0 n GLY 337 Ca 0.00 0.58 0.12 0.00 0.00 0.00 0.00 46.02 46.73 1kd0 n GLY 337 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1kd0 h VAL 338 N 3.52 0.00 0.00 1.61 -1.51 -1.82 -0.41 116.25 117.63 1kd0 h VAL 338 Ca -0.45 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 64.78 1kd0 h VAL 338 Cb 1.24 0.96 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1kd0 h VAL 338 CO 0.87 0.00 -0.04 -0.55 -1.23 0.00 0.00 177.57 176.62 1kd0 h ASN 339 N 0.00 0.00 0.16 4.19 -1.07 -1.93 -2.02 115.58 114.91 1kd0 h ASN 339 Ca 0.00 0.00 -0.11 0.00 0.07 0.00 0.00 56.30 56.26 1kd0 h ASN 339 Cb 0.34 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.58 1kd0 h ASN 339 CO 0.00 0.04 -0.38 0.78 0.07 0.00 0.00 177.43 177.94 1kd0 h ASN 340 N 0.00 0.31 -0.08 6.14 2.35 -1.39 -0.28 115.58 122.64 1kd0 h ASN 340 Ca -0.00 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1kd0 h ASN 340 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1kd0 h ASN 340 CO 0.00 0.67 -0.00 0.40 -1.65 0.00 0.00 177.43 176.85 1kd0 h ILE 341 N 0.25 0.94 -0.23 2.81 2.04 -1.49 -0.47 117.51 121.37 1kd0 h ILE 341 Ca 0.03 -0.01 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1kd0 h ILE 341 Cb 0.79 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1kd0 h ILE 341 CO 0.06 0.00 0.06 0.00 0.00 0.00 0.00 178.15 178.28 1kd0 h ALA 342 N 1.07 0.30 -0.94 1.87 0.00 -1.35 -1.03 119.26 119.18 1kd0 h ALA 342 Ca 0.04 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1kd0 h ALA 342 Cb 0.04 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 1kd0 h ALA 342 CO -0.06 -0.06 0.61 -0.44 0.00 0.00 0.00 179.25 179.29 1kd0 h ASP 343 N 0.19 0.97 -0.23 0.00 3.32 -0.95 -2.80 116.42 116.91 1kd0 h ASP 343 Ca 0.07 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 1kd0 h ASP 343 Cb 0.26 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 1kd0 h ASP 343 CO -0.00 0.63 -0.26 0.00 -1.72 0.00 0.00 179.24 177.89 1kd0 h ALA 344 N 1.48 0.34 0.00 3.45 0.00 -0.71 -1.26 119.26 122.57 1kd0 h ALA 344 Ca 0.39 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kd0 h ALA 344 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1kd0 h ALA 344 CO -0.14 0.34 0.00 -0.89 0.00 0.00 0.00 179.25 178.55 1kd0 n ILE 345 N -4.34 0.08 0.00 0.00 5.41 -0.43 -1.47 119.36 118.60 1kd0 n ILE 345 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.70 1kd0 n ILE 345 Cb 0.45 -0.35 0.00 0.00 -0.71 0.00 0.00 39.64 39.03 1kd0 n ILE 345 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1kd0 n TYR 347 N 0.71 0.00 -0.07 1.39 9.36 -0.48 -1.58 117.16 126.50 1kd0 n TYR 347 Ca 0.00 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.15 1kd0 n TYR 347 Cb 0.05 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 38.75 1kd0 n TYR 347 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1kd0 h LYS 349 N 0.04 0.92 0.00 0.00 1.57 -1.55 -1.34 116.57 116.20 1kd0 h LYS 349 Ca 0.13 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1kd0 h LYS 349 Cb 0.19 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1kd0 h LYS 349 CO -0.25 0.61 -0.04 0.00 -0.57 0.00 0.00 179.45 179.19 1kd0 h ALA 350 N 1.55 1.04 -0.32 3.86 0.00 -1.73 -1.84 119.26 121.83 1kd0 h ALA 350 Ca 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1kd0 h ALA 350 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1kd0 h ALA 350 CO -0.08 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.31 1kd0 n ASN 351 N -3.20 2.84 -1.59 0.00 3.02 -0.60 -5.12 115.26 110.62 1kd0 n ASN 351 Ca -0.01 -1.94 -0.00 0.00 -0.03 0.00 0.00 54.58 52.60 1kd0 n ASN 351 Cb 0.26 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.21 1kd0 n ASN 351 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1kd0 n GLY 352 N 0.56 -0.71 2.98 7.41 0.00 -0.68 -5.04 105.19 109.71 1kd0 n GLY 352 Ca 0.11 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1kd0 n GLY 352 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1kd0 s GLY 354 N -1.15 0.63 -0.23 -0.02 0.00 -0.66 -4.98 107.32 100.91 1kd0 s GLY 354 Ca 0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 44.72 44.33 1kd0 s GLY 354 CO 0.05 0.16 0.25 0.00 0.00 0.00 0.00 173.10 173.56 1kd0 s ALA 355 N 0.62 3.59 -0.44 3.20 0.00 -1.26 -1.18 121.76 126.28 1kd0 s ALA 355 Ca -0.11 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 1kd0 s ALA 355 Cb -0.14 -2.45 0.06 0.00 0.00 0.00 0.00 23.12 20.59 1kd0 s ALA 355 CO 0.02 -0.26 0.34 -0.47 0.00 0.00 0.00 175.76 175.40 1kd0 s TYR 356 N 1.20 3.25 -0.77 0.00 5.04 0.31 -0.49 117.35 125.89 1kd0 s TYR 356 Ca 0.12 -0.92 -0.26 0.00 -2.44 0.00 0.00 57.07 53.57 1kd0 s TYR 356 Cb -0.14 -2.95 0.03 0.00 0.35 0.00 0.00 41.96 39.24 1kd0 s TYR 356 CO 0.06 -0.74 1.35 0.00 -1.34 0.00 0.00 175.55 174.87 1kd0 n GLY 358 N 5.59 0.92 0.00 0.00 0.00 -0.06 -2.06 105.19 109.58 1kd0 n GLY 358 Ca 0.08 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1kd0 n GLY 358 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd0 n GLY 359 N 5.00 0.60 3.06 -0.02 0.00 -1.26 -4.46 105.19 108.11 1kd0 n GLY 359 Ca 0.00 -1.71 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 1kd0 n GLY 359 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1kd0 s THR 360 N -2.86 0.65 0.51 2.61 -1.32 -1.26 -4.81 115.64 109.15 1kd0 s THR 360 Ca 0.00 -0.86 0.40 0.00 -1.21 0.00 0.00 61.69 60.02 1kd0 s THR 360 Cb 0.00 -0.65 0.42 0.00 -1.51 0.00 0.00 72.50 70.76 1kd0 s THR 360 CO 0.00 -0.17 2.25 0.00 -2.21 0.00 0.00 174.62 174.50 1kd0 n ASN 362 N -3.18 4.19 0.00 0.00 5.15 -1.26 -0.56 115.26 119.61 1kd0 n ASN 362 Ca -0.02 -2.90 0.00 0.00 -0.60 0.00 0.00 54.58 51.06 1kd0 n ASN 362 Cb 0.14 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.71 1kd0 n ASN 362 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1kd0 n GLU 363 N 0.01 3.98 -4.48 1.20 0.28 -1.16 -4.41 120.64 116.06 1kd0 n GLU 363 Ca 0.30 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 57.07 1kd0 n GLU 363 Cb 1.13 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.90 1kd0 n GLU 363 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 1kd0 s THR 364 N 2.70 0.88 0.33 3.84 -4.23 -1.26 -0.92 115.64 116.99 1kd0 s THR 364 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 1kd0 s THR 364 Cb 0.00 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.56 1kd0 s THR 364 CO 0.00 0.00 1.95 -0.55 -0.54 0.00 0.00 174.62 175.48 1kd0 h ASN 365 N 1.96 0.78 -0.08 3.99 -1.07 -1.95 -2.00 115.58 117.21 1kd0 h ASN 365 Ca -0.38 -0.00 -0.15 0.00 0.07 0.00 0.00 56.30 55.84 1kd0 h ASN 365 Cb 1.26 -0.17 0.01 0.00 -2.07 0.00 0.00 38.32 37.35 1kd0 h ASN 365 CO 0.63 0.51 -0.53 -0.09 0.07 0.00 0.00 177.43 178.02 1kd0 h ARG 366 N 0.89 0.50 -0.67 4.14 9.65 -1.98 -2.01 114.38 124.90 1kd0 h ARG 366 Ca 0.33 -0.43 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 1kd0 h ARG 366 Cb 0.17 0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.82 1kd0 h ARG 366 CO -0.11 1.07 0.13 0.66 2.80 0.00 0.00 179.97 184.52 1kd0 h SER 367 N 0.08 1.05 -0.66 -3.80 4.64 -1.84 -0.06 113.55 112.97 1kd0 h SER 367 Ca -0.04 -0.25 0.04 0.00 -0.47 0.00 0.00 61.79 61.06 1kd0 h SER 367 Cb 1.19 -0.28 -0.05 0.00 -0.31 0.00 0.00 62.40 62.96 1kd0 h SER 367 CO 0.11 1.04 0.39 0.00 -0.87 0.00 0.00 176.83 177.50 1kd0 h ALA 368 N 1.06 0.87 -0.42 5.18 0.00 -1.30 -1.27 119.26 123.36 1kd0 h ALA 368 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.15 1kd0 h ALA 368 Cb 0.42 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1kd0 h ALA 368 CO 0.01 0.12 0.21 0.93 0.00 0.00 0.00 179.25 180.51 1kd0 h GLU 369 N 0.75 0.40 0.02 0.00 5.08 -0.62 -1.05 114.58 119.16 1kd0 h GLU 369 Ca 0.28 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1kd0 h GLU 369 Cb 0.08 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1kd0 h GLU 369 CO -0.13 0.27 -0.01 0.28 -1.00 0.00 0.00 179.01 178.41 1kd0 h VAL 370 N 0.42 1.16 0.00 3.13 2.07 -0.72 -2.27 116.25 120.04 1kd0 h VAL 370 Ca 0.18 -0.55 -0.07 0.00 0.82 0.00 0.00 66.70 67.08 1kd0 h VAL 370 Cb 0.10 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1kd0 h VAL 370 CO -0.13 0.14 -0.35 0.71 0.02 0.00 0.00 177.57 177.96 1kd0 h THR 371 N -0.27 1.05 -0.50 2.57 1.35 -1.24 -2.33 112.91 113.55 1kd0 h THR 371 Ca -0.00 -1.27 0.02 0.00 -0.55 0.00 0.00 66.41 64.61 1kd0 h THR 371 Cb 0.25 1.73 -0.03 0.00 -1.73 0.00 0.00 68.15 68.37 1kd0 h THR 371 CO 0.00 0.34 0.30 0.74 -0.25 0.00 0.00 175.52 176.65 1kd0 h THR 372 N 0.00 1.05 -0.85 6.82 2.02 -0.98 -0.56 112.91 120.42 1kd0 h THR 372 Ca -0.00 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1kd0 h THR 372 Cb 0.70 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1kd0 h THR 372 CO 0.05 0.11 0.56 0.78 0.37 0.00 0.00 175.52 177.38 1kd0 h ASN 373 N 0.60 0.95 -0.47 4.18 2.35 -0.94 -2.78 115.58 119.47 1kd0 h ASN 373 Ca 0.20 -0.02 -0.07 0.00 -0.55 0.00 0.00 56.30 55.86 1kd0 h ASN 373 Cb 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1kd0 h ASN 373 CO -0.09 0.68 0.02 0.40 -1.65 0.00 0.00 177.43 176.79 1kd0 h ILE 374 N 1.12 1.26 0.00 2.81 2.04 -0.90 -1.83 117.51 122.01 1kd0 h ILE 374 Ca 0.32 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 65.16 1kd0 h ILE 374 Cb -0.08 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1kd0 h ILE 374 CO -0.08 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.03 1kd0 n GLY 375 N -0.42 0.56 2.13 5.37 0.00 -0.27 -1.55 105.19 111.02 1kd0 n GLY 375 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1kd0 n GLY 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kd0 n ALA 377 N 0.61 0.00 0.77 4.61 0.00 -0.69 -1.07 120.51 124.74 1kd0 n ALA 377 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 1kd0 n ALA 377 Cb 0.12 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.86 1kd0 n ALA 377 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kd0 n GLY 379 N 1.28 -0.14 3.68 0.00 0.00 -0.96 -4.99 105.19 104.08 1kd0 n GLY 379 Ca 0.17 -0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1kd0 n GLY 379 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kd0 n ALA 380 N -3.96 0.17 0.06 4.61 0.00 -0.23 -4.90 120.51 116.25 1kd0 n ALA 380 Ca -0.07 -0.24 -0.13 0.00 0.00 0.00 0.00 53.44 53.01 1kd0 n ALA 380 Cb 0.57 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 1kd0 n ALA 380 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1kd0 h ARG 381 N -0.50 0.41 -2.76 0.00 9.65 -1.13 -3.45 114.38 116.60 1kd0 h ARG 381 Ca -0.47 -0.41 -0.04 0.00 -1.10 0.00 0.00 59.98 57.95 1kd0 h ARG 381 Cb 1.31 0.11 -0.15 0.00 -1.39 0.00 0.00 29.97 29.86 1kd0 h ARG 381 CO 0.47 1.08 0.15 1.14 2.80 0.00 0.00 179.97 185.61 1kd0 s GLN 382 N -3.35 1.16 0.12 0.20 -2.07 -1.18 -4.23 119.66 110.32 1kd0 s GLN 382 Ca -0.06 -0.28 0.08 0.00 -1.82 0.00 0.00 55.36 53.29 1kd0 s GLN 382 Cb 0.09 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.51 1kd0 s GLN 382 CO 0.86 -0.46 -0.20 0.14 -1.32 0.00 0.00 175.29 174.31 1kd0 s VAL 383 N -2.91 1.77 -0.05 3.63 -7.23 0.25 -0.78 120.40 115.08 1kd0 s VAL 383 Ca -0.03 -1.67 -0.25 0.00 -1.81 0.00 0.00 61.98 58.22 1kd0 s VAL 383 Cb -0.00 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 1kd0 s VAL 383 CO -0.05 -0.13 0.79 -0.22 -0.31 0.00 0.00 175.10 175.17 1kd0 s LEU 384 N -2.15 4.33 -0.17 1.32 2.96 -0.88 -0.19 118.68 123.92 1kd0 s LEU 384 Ca 0.10 1.33 -0.29 0.00 -0.22 0.00 0.00 54.13 55.05 1kd0 s LEU 384 Cb -0.09 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.35 1kd0 s LEU 384 CO 0.05 -0.16 1.46 0.00 -1.32 0.00 0.00 176.35 176.38 1kd0 s ALA 385 N 0.87 3.52 0.22 5.97 0.00 0.48 -4.89 121.76 127.93 1kd0 s ALA 385 Ca 0.42 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 52.71 1kd0 s ALA 385 Cb -0.19 -3.73 0.04 0.00 0.00 0.00 0.00 23.12 19.24 1kd0 s ALA 385 CO 0.21 -1.50 0.65 -1.59 0.00 0.00 0.00 175.76 173.53 1kd0 s LYS 386 N 4.02 1.54 0.00 0.00 -2.85 -1.20 -4.66 119.74 116.59 1kd0 s LYS 386 Ca 0.64 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.84 1kd0 s LYS 386 Cb -0.25 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1kd0 s LYS 386 CO 0.23 -0.69 0.00 -0.35 0.10 0.00 0.00 175.35 174.64 1kd0 n PRO 387 N -0.42 2.03 0.00 1.78 -0.04 -1.26 -4.47 135.00 132.62 1kd0 n PRO 387 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1kd0 n PRO 387 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 1kd0 n PRO 387 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1kd0 n GLY 388 N 5.00 -0.34 4.83 0.55 0.00 0.28 -3.89 105.19 111.61 1kd0 n GLY 388 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1kd0 n GLY 388 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kd0 n GLY 390 N 0.00 0.44 5.00 -0.02 0.00 -1.26 -4.74 105.19 104.60 1kd0 n GLY 390 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kd0 n GLY 390 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1kd0 n VAL 391 N -1.30 0.00 0.00 1.61 0.31 -1.26 -4.59 118.33 113.10 1kd0 n VAL 391 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 1kd0 n VAL 391 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 1kd0 n VAL 391 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1kd0 h ASP 392 N 0.00 -0.87 -0.52 4.52 3.32 -1.97 -2.98 116.42 117.92 1kd0 h ASP 392 Ca 0.00 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1kd0 h ASP 392 Cb 0.00 0.37 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 1kd0 h ASP 392 CO 0.00 -0.33 0.05 -0.33 -1.72 0.00 0.00 179.24 176.91 1kd0 h GLU 393 N -0.35 0.93 -4.77 3.56 3.07 -1.91 -3.42 114.58 111.68 1kd0 h GLU 393 Ca 0.10 -0.25 -0.59 0.00 -0.50 0.00 0.00 59.36 58.12 1kd0 h GLU 393 Cb 0.50 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1kd0 h GLU 393 CO -0.33 0.89 2.13 0.41 -1.40 0.00 0.00 179.01 180.72 1kd0 n GLY 394 N -0.62 2.50 4.77 -3.84 0.00 -1.13 -4.66 105.19 102.21 1kd0 n GLY 394 Ca 0.03 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1kd0 n GLY 394 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1kd0 n ILE 397 N 6.33 0.00 -0.04 -0.61 5.41 -1.26 -3.26 119.36 125.93 1kd0 n ILE 397 Ca 0.49 0.00 -0.15 0.00 1.00 0.00 0.00 62.75 64.09 1kd0 n ILE 397 Cb 0.42 0.00 -0.12 0.00 -0.71 0.00 0.00 39.64 39.23 1kd0 n ILE 397 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1kd0 h VAL 398 N 0.00 1.65 -0.51 1.39 2.07 -1.83 -2.80 116.25 116.22 1kd0 h VAL 398 Ca 0.00 -2.15 -0.03 0.00 0.82 0.00 0.00 66.70 65.34 1kd0 h VAL 398 Cb 0.00 3.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1kd0 h VAL 398 CO 0.00 0.57 0.20 0.50 0.02 0.00 0.00 177.57 178.86 1kd0 h LYS 399 N -0.71 0.77 -0.46 1.57 1.63 -1.97 -3.07 116.57 114.33 1kd0 h LYS 399 Ca -0.03 -0.15 -0.11 0.00 -0.85 0.00 0.00 60.65 59.51 1kd0 h LYS 399 Cb 1.05 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 1kd0 h LYS 399 CO 0.04 0.69 -0.17 -0.91 -3.45 0.00 0.00 179.45 175.65 1kd0 h ASN 400 N 0.69 0.90 0.00 4.20 4.21 -1.96 -1.30 115.58 122.32 1kd0 h ASN 400 Ca 0.17 -0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1kd0 h ASN 400 Cb 0.21 -0.24 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 1kd0 h ASN 400 CO -0.01 1.05 0.00 1.21 -1.29 0.00 0.00 177.43 178.39 1kd0 n GLU 401 N -4.13 0.00 0.00 0.81 4.07 -1.06 -2.26 120.64 118.07 1kd0 n GLU 401 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1kd0 n GLU 401 Cb 0.42 -1.00 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 1kd0 n GLU 401 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1kd0 n ASN 403 N 0.51 0.00 -0.09 4.31 3.02 -0.49 -0.85 115.26 121.66 1kd0 n ASN 403 Ca 0.00 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.44 1kd0 n ASN 403 Cb 0.00 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.13 1kd0 n ASN 403 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1kd0 h ARG 404 N 0.00 0.45 -0.42 3.52 3.08 -1.72 -2.27 114.38 117.02 1kd0 h ARG 404 Ca 0.00 -0.12 0.04 0.00 0.07 0.00 0.00 59.98 59.97 1kd0 h ARG 404 Cb 0.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1kd0 h ARG 404 CO 0.00 0.57 0.18 0.28 -1.07 0.00 0.00 179.97 179.94 1kd0 h VAL 405 N 0.26 0.93 -0.89 2.04 2.07 -1.26 -1.30 116.25 118.10 1kd0 h VAL 405 Ca 0.08 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1kd0 h VAL 405 Cb 0.34 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.59 1kd0 h VAL 405 CO 0.01 0.07 0.56 -0.07 0.02 0.00 0.00 177.57 178.16 1kd0 h LEU 406 N 0.37 1.05 0.09 2.57 3.38 -1.77 -0.20 115.31 120.79 1kd0 h LEU 406 Ca 0.19 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1kd0 h LEU 406 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1kd0 h LEU 406 CO -0.16 0.78 -0.04 0.00 0.09 0.00 0.00 178.44 179.12 1kd0 h ALA 407 N 1.40 -0.12 -0.51 1.53 0.00 -0.77 -0.67 119.26 120.12 1kd0 h ALA 407 Ca 0.32 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1kd0 h ALA 407 Cb -0.09 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1kd0 h ALA 407 CO -0.06 -0.54 -0.01 -0.07 0.00 0.00 0.00 179.25 178.56 1kd0 h LEU 408 N -0.16 0.85 -0.53 0.00 3.38 -0.85 -2.82 115.31 115.18 1kd0 h LEU 408 Ca -0.01 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 1kd0 h LEU 408 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1kd0 h LEU 408 CO 0.02 0.92 -0.14 0.58 0.09 0.00 0.00 178.44 179.91 1kd0 h VAL 409 N 0.81 1.27 -0.69 1.22 2.07 -0.96 -2.65 116.25 117.32 1kd0 h VAL 409 Ca 0.15 -1.31 0.20 0.00 0.82 0.00 0.00 66.70 66.56 1kd0 h VAL 409 Cb 0.50 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 1kd0 h VAL 409 CO 0.03 0.46 0.56 1.23 0.02 0.00 0.00 177.57 179.87 1kd0 h GLY 410 N 0.91 0.00 2.00 2.17 0.00 -0.86 -0.87 103.07 106.42 1kd0 h GLY 410 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1kd0 h GLY 410 CO 0.06 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.81 1kd0 h ARG 411 N 0.00 0.00 -0.00 4.80 3.08 -1.40 -3.05 114.38 117.81 1kd0 h ARG 411 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 1kd0 h ARG 411 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.50 1kd0 h ARG 411 CO -0.00 0.00 -0.11 0.54 -1.07 0.00 0.00 179.97 179.33 1kd0 n ARG 412 N -2.57 4.24 0.00 0.04 1.74 -0.56 -5.16 116.66 114.39 1kd0 n ARG 412 Ca 0.03 -0.19 0.11 0.00 -0.77 0.00 0.00 57.85 57.03 1kd0 n ARG 412 Cb 0.35 -0.76 0.65 0.00 -1.02 0.00 0.00 32.46 31.69 1kd0 n ARG 412 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28