#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k43 s LYS 2 N 0.00 0.57 0.16 -3.48 0.00 -1.26 -4.91 119.74 110.82 2k43 s LYS 2 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 55.97 56.43 2k43 s LYS 2 Cb 0.00 0.27 0.07 0.00 0.00 0.00 0.00 37.83 38.17 2k43 s LYS 2 CO 0.00 -0.07 0.63 0.15 0.00 0.00 0.00 175.35 176.06 2k43 s LYS 3 N 0.32 1.30 0.16 1.78 -0.14 -1.25 -4.73 119.74 117.18 2k43 s LYS 3 Ca -0.00 -0.50 -0.32 0.00 -1.36 0.00 0.00 55.97 53.78 2k43 s LYS 3 Cb -0.04 0.58 -0.17 0.00 -1.68 0.00 0.00 37.83 36.53 2k43 s LYS 3 CO -0.00 -0.57 0.98 -0.35 -0.76 0.00 0.00 175.35 174.64 2k43 n PRO 4 N -0.38 0.71 -2.41 -1.68 -0.04 -1.26 -4.30 135.00 125.64 2k43 n PRO 4 Ca -0.15 0.25 -0.32 0.00 -0.04 0.00 0.00 63.50 63.23 2k43 n PRO 4 Cb 0.64 -1.62 -0.03 0.00 -0.04 0.00 0.00 33.50 32.45 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k43 s LYS 5 N -0.60 3.93 -0.01 0.54 1.02 0.19 -3.35 119.74 121.46 2k43 s LYS 5 Ca 0.72 0.98 -0.05 0.00 0.02 0.00 0.00 55.97 57.65 2k43 s LYS 5 Cb -0.92 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.21 2k43 s LYS 5 CO 0.55 -0.29 0.22 -1.17 -0.92 0.00 0.00 175.35 173.74 2k43 s LEU 6 N -4.03 4.37 -0.77 3.17 0.20 0.11 -2.37 118.68 119.36 2k43 s LEU 6 Ca 0.59 0.46 -0.17 0.00 0.69 0.00 0.00 54.13 55.70 2k43 s LEU 6 Cb -0.10 -2.59 0.15 0.00 -0.43 0.00 0.00 46.19 43.21 2k43 s LEU 6 CO 0.30 0.27 0.84 -0.22 -0.29 0.00 0.00 176.35 177.26 2k43 s LEU 7 N -1.77 5.78 -0.63 -0.68 0.20 -1.26 -2.71 118.68 117.61 2k43 s LEU 7 Ca 0.26 -2.04 -0.10 0.00 0.69 0.00 0.00 54.13 52.94 2k43 s LEU 7 Cb -0.13 -2.30 0.16 0.00 -0.43 0.00 0.00 46.19 43.50 2k43 s LEU 7 CO 0.16 -0.91 0.52 -0.47 -0.29 0.00 0.00 176.35 175.36 2k43 s TYR 8 N 1.81 3.51 -0.62 5.38 6.14 -0.91 -3.13 117.35 129.54 2k43 s TYR 8 Ca 0.19 -2.04 0.04 0.00 0.64 0.00 0.00 57.07 55.91 2k43 s TYR 8 Cb -0.14 -3.57 0.16 0.00 0.42 0.00 0.00 41.96 38.83 2k43 s TYR 8 CO -0.03 -0.96 0.42 0.00 0.64 0.00 0.00 175.55 175.62 2k43 s SER 10 N -0.97 0.50 -0.81 0.00 1.04 -1.25 -2.09 113.70 110.13 2k43 s SER 10 Ca 0.24 -0.85 -0.16 0.00 0.48 0.00 0.00 55.95 55.67 2k43 s SER 10 Cb -0.08 0.16 0.18 0.00 0.10 0.00 0.00 66.02 66.38 2k43 s SER 10 CO -0.14 -0.49 0.83 0.21 0.98 0.00 0.00 173.24 174.63 2k43 s ASN 11 N -2.49 6.63 0.00 7.02 2.47 -1.26 -4.83 114.94 122.48 2k43 s ASN 11 Ca 0.01 -2.33 0.00 0.00 0.42 0.00 0.00 52.86 50.95 2k43 s ASN 11 Cb 0.02 -2.27 0.00 0.00 -1.45 0.00 0.00 41.25 37.56 2k43 s ASN 11 CO -0.07 -0.77 0.00 0.61 -3.72 0.00 0.00 177.10 173.15 2k43 n GLY 12 N 4.58 -0.43 0.00 1.21 0.00 -1.26 -5.08 105.19 104.21 2k43 n GLY 12 Ca 0.12 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2k43 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLY 13 N 0.00 -1.25 3.34 -0.02 0.00 -1.26 -5.17 105.19 100.83 2k43 n GLY 13 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 2k43 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k43 s HIS 14 N 0.00 1.61 -0.00 1.61 3.76 -1.26 -4.76 115.29 116.24 2k43 s HIS 14 Ca 0.00 -1.19 -0.00 0.00 -0.15 0.00 0.00 55.06 53.72 2k43 s HIS 14 Cb 0.00 -0.95 0.00 0.00 1.11 0.00 0.00 32.58 32.75 2k43 s HIS 14 CO 0.00 -0.33 0.01 -0.06 -0.85 0.00 0.00 174.74 173.51 2k43 s PHE 15 N -3.66 0.00 0.21 1.40 0.08 0.31 -4.71 117.98 111.61 2k43 s PHE 15 Ca 0.37 0.02 -0.30 0.00 0.12 0.00 0.00 56.93 57.14 2k43 s PHE 15 Cb 0.07 -0.04 -0.08 0.00 -0.57 0.00 0.00 43.02 42.40 2k43 s PHE 15 CO 0.14 -0.01 0.98 -1.17 -0.10 0.00 0.00 175.22 175.06 2k43 s LEU 16 N 0.17 4.59 0.09 -0.37 2.96 -1.18 0.93 118.68 125.87 2k43 s LEU 16 Ca -0.01 1.96 0.07 0.00 -0.22 0.00 0.00 54.13 55.93 2k43 s LEU 16 Cb -0.02 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2k43 s LEU 16 CO -0.00 0.03 -0.19 -0.13 -1.32 0.00 0.00 176.35 174.74 2k43 s ARG 17 N -0.85 1.04 -0.14 1.98 0.52 0.17 -4.31 118.95 117.36 2k43 s ARG 17 Ca 0.44 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 54.42 2k43 s ARG 17 Cb -0.26 -1.22 -0.05 0.00 0.52 0.00 0.00 34.95 33.94 2k43 s ARG 17 CO 0.33 0.28 0.32 0.96 0.02 0.00 0.00 175.30 177.21 2k43 s ILE 18 N -1.17 5.28 0.22 1.52 -4.36 -1.24 -3.02 121.20 118.42 2k43 s ILE 18 Ca 0.04 0.61 0.08 0.00 -0.26 0.00 0.00 60.65 61.12 2k43 s ILE 18 Cb -0.10 -3.65 -0.04 0.00 1.25 0.00 0.00 42.46 39.92 2k43 s ILE 18 CO 0.03 0.41 -0.00 -0.76 0.24 0.00 0.00 174.94 174.86 2k43 s LEU 19 N 0.29 3.25 0.00 0.37 1.43 -1.25 -5.00 118.68 117.77 2k43 s LEU 19 Ca 0.18 -0.51 0.02 0.00 -1.03 0.00 0.00 54.13 52.80 2k43 s LEU 19 Cb -0.13 -1.85 0.13 0.00 0.03 0.00 0.00 46.19 44.36 2k43 s LEU 19 CO 0.05 0.05 0.82 -2.65 0.23 0.00 0.00 176.35 174.85 2k43 n PRO 20 N -0.47 0.72 0.03 1.29 -0.02 -1.26 -2.19 135.00 133.10 2k43 n PRO 20 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.51 2k43 n PRO 20 Cb 0.57 -1.05 0.16 0.00 -0.02 0.00 0.00 33.50 33.16 2k43 n PRO 20 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k43 n ASP 21 N -0.55 0.61 -0.16 2.55 8.00 -1.26 -4.97 116.55 120.77 2k43 n ASP 21 Ca 0.02 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2k43 n ASP 21 Cb 0.01 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k43 n GLY 22 N 1.42 1.05 3.32 0.44 0.00 -0.93 -5.02 105.19 105.46 2k43 n GLY 22 Ca 0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 2k43 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k43 s THR 23 N -2.33 2.12 -0.57 2.61 2.01 -0.96 -2.33 115.64 116.20 2k43 s THR 23 Ca 0.00 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 60.65 2k43 s THR 23 Cb 0.00 -1.75 0.08 0.00 0.01 0.00 0.00 72.50 70.84 2k43 s THR 23 CO 0.00 0.54 0.71 -0.69 -0.69 0.00 0.00 174.62 174.49 2k43 s VAL 24 N -0.66 4.77 0.02 3.82 1.01 -1.24 -3.90 120.40 124.22 2k43 s VAL 24 Ca 0.10 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2k43 s VAL 24 Cb -0.10 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.82 2k43 s VAL 24 CO -0.00 -1.05 -0.09 1.51 0.00 0.00 0.00 175.10 175.46 2k43 s ASP 25 N 3.29 1.06 0.08 3.32 -4.77 -1.17 -0.35 116.67 118.14 2k43 s ASP 25 Ca 0.14 -0.30 -0.22 0.00 -3.30 0.00 0.00 52.55 48.87 2k43 s ASP 25 Cb -0.21 -0.07 -0.07 0.00 -1.09 0.00 0.00 42.92 41.48 2k43 s ASP 25 CO 0.09 0.02 0.66 -0.83 0.70 0.00 0.00 175.17 175.80 2k43 s GLY 26 N -0.71 2.75 0.00 2.12 0.00 -0.61 0.46 107.32 111.33 2k43 s GLY 26 Ca -0.00 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 2k43 s GLY 26 CO 0.00 0.70 0.13 -1.59 0.00 0.00 0.00 173.10 172.35 2k43 s THR 27 N -0.83 0.08 -0.40 0.90 2.01 0.26 -4.61 115.64 113.06 2k43 s THR 27 Ca 0.32 -0.68 -0.27 0.00 0.31 0.00 0.00 61.69 61.38 2k43 s THR 27 Cb -0.20 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 71.91 2k43 s THR 27 CO 0.21 -0.37 0.98 0.00 -0.69 0.00 0.00 174.62 174.74 2k43 s ARG 28 N -1.34 3.78 0.22 4.92 1.04 -1.26 -0.53 118.95 125.78 2k43 s ARG 28 Ca -0.14 0.54 -0.03 0.00 -1.04 0.00 0.00 55.73 55.06 2k43 s ARG 28 Cb -0.08 -3.84 -0.03 0.00 -2.04 0.00 0.00 34.95 28.96 2k43 s ARG 28 CO 0.01 -1.07 0.21 0.34 -0.04 0.00 0.00 175.30 174.75 2k43 s ASP 29 N 2.03 0.21 -0.01 -2.89 -1.08 -1.26 -5.01 116.67 108.66 2k43 s ASP 29 Ca 0.40 -1.33 0.03 0.00 -0.52 0.00 0.00 52.55 51.14 2k43 s ASP 29 Cb -0.11 0.44 0.12 0.00 -1.46 0.00 0.00 42.92 41.91 2k43 s ASP 29 CO 0.22 -0.92 0.97 0.54 0.52 0.00 0.00 175.17 176.50 2k43 n ARG 30 N -0.32 1.40 -3.66 4.34 5.12 -1.26 -4.71 116.66 117.57 2k43 n ARG 30 Ca 0.02 -0.47 -0.25 0.00 -1.93 0.00 0.00 57.85 55.21 2k43 n ARG 30 Cb 0.65 -1.26 0.07 0.00 -1.16 0.00 0.00 32.46 30.75 2k43 n ARG 30 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k43 n SER 31 N -0.06 -6.09 -2.04 0.55 2.88 -1.26 -4.98 113.62 102.61 2k43 n SER 31 Ca 0.04 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 57.00 2k43 n SER 31 Cb 0.20 -4.81 0.00 0.00 -0.75 0.00 0.00 64.21 58.85 2k43 n SER 31 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2k43 n ASP 32 N -2.98 0.00 -0.79 -3.46 5.75 -1.26 -4.71 116.55 109.10 2k43 n ASP 32 Ca 0.02 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 2k43 n ASP 32 Cb 0.55 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k43 n GLN 33 N -0.91 0.30 0.00 0.11 6.02 -1.26 -0.69 117.38 120.96 2k43 n GLN 33 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2k43 n GLN 33 Cb 0.00 -1.27 0.00 0.00 1.02 0.00 0.00 30.24 29.99 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k43 n HIS 34 N 0.64 0.00 1.19 1.08 8.25 -1.26 -4.63 115.22 120.49 2k43 n HIS 34 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2k43 n HIS 34 Cb 0.12 0.00 0.52 0.00 1.12 0.00 0.00 29.99 31.75 2k43 n HIS 34 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2k43 n ILE 35 N -0.96 0.00 -3.08 1.59 -0.00 0.14 -3.68 119.36 113.37 2k43 n ILE 35 Ca 0.00 -0.03 -0.44 0.00 -0.00 0.00 0.00 62.75 62.28 2k43 n ILE 35 Cb 0.01 -0.11 -0.05 0.00 -0.00 0.00 0.00 39.64 39.49 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -2.74 3.07 -0.06 0.38 0.00 -1.25 -4.45 119.66 114.61 2k43 s GLN 36 Ca 0.20 -1.17 0.02 0.00 -0.00 0.00 0.00 55.36 54.42 2k43 s GLN 36 Cb 0.19 -4.23 -0.03 0.00 0.00 0.00 0.00 33.01 28.94 2k43 s GLN 36 CO 0.55 -1.53 -0.11 -0.48 0.00 0.00 0.00 175.29 173.72 2k43 s LEU 37 N 2.88 2.92 -0.50 2.60 2.34 -1.00 -2.58 118.68 125.35 2k43 s LEU 37 Ca 0.14 -0.12 -0.20 0.00 0.06 0.00 0.00 54.13 54.00 2k43 s LEU 37 Cb -0.22 -1.61 0.05 0.00 -0.56 0.00 0.00 46.19 43.84 2k43 s LEU 37 CO 0.08 0.35 0.67 -1.58 -1.06 0.00 0.00 176.35 174.81 2k43 s GLN 38 N -0.73 3.18 -0.50 1.48 -0.44 0.19 0.54 119.66 123.38 2k43 s GLN 38 Ca 0.11 -0.70 -0.02 0.00 -2.50 0.00 0.00 55.36 52.25 2k43 s GLN 38 Cb -0.11 -4.06 0.13 0.00 -1.64 0.00 0.00 33.01 27.33 2k43 s GLN 38 CO 0.01 -1.21 0.29 -1.17 0.50 0.00 0.00 175.29 173.71 2k43 s LEU 39 N 2.85 5.16 0.43 3.68 2.96 -1.26 -1.64 118.68 130.86 2k43 s LEU 39 Ca 0.19 -2.43 0.07 0.00 -0.22 0.00 0.00 54.13 51.74 2k43 s LEU 39 Cb -0.17 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 2k43 s LEU 39 CO 0.14 -0.45 0.31 -0.44 -1.32 0.00 0.00 176.35 174.60 2k43 s SER 40 N 1.19 4.78 -0.36 3.68 0.01 -1.01 -4.86 113.70 117.12 2k43 s SER 40 Ca 0.12 -0.93 -0.04 0.00 1.31 0.00 0.00 55.95 56.41 2k43 s SER 40 Cb -0.22 -0.40 0.07 0.00 0.21 0.00 0.00 66.02 65.68 2k43 s SER 40 CO -0.04 -0.68 0.13 0.00 0.41 0.00 0.00 173.24 173.06 2k43 s ALA 41 N -2.56 3.04 -0.23 1.44 0.00 -1.26 -0.15 121.76 122.05 2k43 s ALA 41 Ca 0.44 -2.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.33 2k43 s ALA 41 Cb -0.01 -2.27 -0.14 0.00 0.00 0.00 0.00 23.12 20.71 2k43 s ALA 41 CO 0.25 -1.51 -0.22 -1.91 0.00 0.00 0.00 175.76 172.37 2k43 n GLU 42 N 4.70 0.55 -4.08 0.00 4.07 -0.82 -4.94 120.64 120.11 2k43 n GLU 42 Ca -0.09 0.14 -0.23 0.00 -0.06 0.00 0.00 57.16 56.92 2k43 n GLU 42 Cb 0.43 -1.43 -0.06 0.00 -0.06 0.00 0.00 31.44 30.31 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2k43 s SER 43 N -6.32 4.64 -0.11 4.31 0.01 -1.24 -5.02 113.70 109.97 2k43 s SER 43 Ca -0.31 -0.83 -0.31 0.00 1.31 0.00 0.00 55.95 55.82 2k43 s SER 43 Cb 0.09 -0.67 -0.09 0.00 0.21 0.00 0.00 66.02 65.56 2k43 s SER 43 CO 0.50 -0.35 2.06 0.52 0.41 0.00 0.00 173.24 176.38 2k43 n VAL 44 N -1.18 0.54 0.00 3.43 0.31 -1.26 -1.32 118.33 118.85 2k43 n VAL 44 Ca -0.02 -0.25 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2k43 n VAL 44 Cb 0.62 -2.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k43 n GLY 45 N 5.09 2.89 3.90 2.92 0.00 -1.26 -4.99 105.19 113.73 2k43 n GLY 45 Ca 0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 2k43 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k43 s GLU 46 N -0.34 3.47 -0.00 1.61 2.02 -0.44 -1.20 118.70 123.82 2k43 s GLU 46 Ca 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 54.97 54.80 2k43 s GLU 46 Cb 0.00 -3.10 -0.03 0.00 0.10 0.00 0.00 34.13 31.10 2k43 s GLU 46 CO 0.00 0.68 -0.13 0.14 0.02 0.00 0.00 175.26 175.97 2k43 s VAL 47 N -1.28 3.14 -0.17 2.63 -7.23 -0.47 -1.95 120.40 115.08 2k43 s VAL 47 Ca 0.26 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.54 2k43 s VAL 47 Cb -0.13 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.52 2k43 s VAL 47 CO 0.16 0.45 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.77 2k43 s TYR 48 N -0.87 2.78 -0.48 2.82 6.14 0.79 -3.28 117.35 125.26 2k43 s TYR 48 Ca 0.14 -1.21 -0.12 0.00 0.64 0.00 0.00 57.07 56.52 2k43 s TYR 48 Cb -0.11 -1.91 0.10 0.00 0.42 0.00 0.00 41.96 40.47 2k43 s TYR 48 CO 0.04 -0.58 0.37 0.42 0.64 0.00 0.00 175.55 176.44 2k43 s ILE 49 N 1.00 4.64 0.13 3.14 1.01 -1.26 -2.42 121.20 127.44 2k43 s ILE 49 Ca -0.02 -1.50 0.10 0.00 0.00 0.00 0.00 60.65 59.23 2k43 s ILE 49 Cb -0.15 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 2k43 s ILE 49 CO -0.04 -0.70 -0.23 -1.59 0.00 0.00 0.00 174.94 172.38 2k43 s LYS 50 N 1.48 1.30 0.26 2.79 -2.85 -0.65 -4.41 119.74 117.66 2k43 s LYS 50 Ca 0.04 -1.31 -0.28 0.00 -1.00 0.00 0.00 55.97 53.41 2k43 s LYS 50 Cb -0.26 -1.64 -0.09 0.00 -2.06 0.00 0.00 37.83 33.78 2k43 s LYS 50 CO 0.02 0.37 0.93 -1.12 0.10 0.00 0.00 175.35 175.65 2k43 s SER 51 N -2.17 7.53 0.00 0.03 0.01 -1.15 0.58 113.70 118.53 2k43 s SER 51 Ca 0.12 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.27 2k43 s SER 51 Cb -0.09 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2k43 s SER 51 CO 0.06 0.09 0.00 0.41 0.41 0.00 0.00 173.24 174.21 2k43 n THR 52 N 1.21 0.00 -0.10 1.44 -1.04 -1.22 -4.74 114.28 109.83 2k43 n THR 52 Ca -0.01 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.76 2k43 n THR 52 Cb 0.48 -0.20 -0.12 0.00 -1.82 0.00 0.00 70.33 68.67 2k43 n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k43 n GLU 53 N 0.00 0.61 -0.44 -2.82 2.13 -1.26 -4.69 120.64 114.17 2k43 n GLU 53 Ca 0.00 0.42 0.07 0.00 0.66 0.00 0.00 57.16 58.31 2k43 n GLU 53 Cb 0.00 -1.66 0.23 0.00 0.27 0.00 0.00 31.44 30.28 2k43 n GLU 53 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 2k43 n THR 54 N -4.16 2.27 -0.00 6.31 -1.04 -1.26 -4.88 114.28 111.51 2k43 n THR 54 Ca -0.39 -2.06 -0.00 0.00 -2.04 0.00 0.00 64.05 59.56 2k43 n THR 54 Cb 0.81 -0.26 -0.11 0.00 -1.82 0.00 0.00 70.33 68.94 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k43 n GLY 55 N -0.74 -1.12 0.00 3.41 0.00 -1.07 -4.49 105.19 101.18 2k43 n GLY 55 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k43 n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k43 n GLN 56 N -2.75 0.00 -2.81 1.61 1.13 -1.20 -4.02 117.38 109.34 2k43 n GLN 56 Ca -0.14 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.50 2k43 n GLN 56 Cb 0.86 0.00 0.01 0.00 0.11 0.00 0.00 30.24 31.22 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -1.44 0.00 0.00 177.06 176.60 2k43 n TYR 57 N -0.19 2.45 -2.40 1.08 9.36 -0.64 -2.92 117.16 123.88 2k43 n TYR 57 Ca 0.00 -2.58 -0.42 0.00 3.32 0.00 0.00 57.90 58.21 2k43 n TYR 57 Cb 0.00 -1.30 -0.03 0.00 -0.63 0.00 0.00 39.34 37.39 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2k43 s LEU 58 N -3.13 4.31 -0.03 2.98 0.20 -1.26 -3.04 118.68 118.72 2k43 s LEU 58 Ca 0.35 1.93 0.00 0.00 0.69 0.00 0.00 54.13 57.10 2k43 s LEU 58 Cb 0.10 -3.56 0.03 0.00 -0.43 0.00 0.00 46.19 42.33 2k43 s LEU 58 CO 0.02 -0.58 0.01 0.00 -0.29 0.00 0.00 176.35 175.51 2k43 s ALA 59 N 1.91 0.26 0.18 5.97 0.00 -0.41 -2.05 121.76 127.62 2k43 s ALA 59 Ca 0.58 0.20 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 2k43 s ALA 59 Cb -0.27 -0.32 -0.08 0.00 0.00 0.00 0.00 23.12 22.45 2k43 s ALA 59 CO 0.25 -0.10 0.83 0.00 0.00 0.00 0.00 175.76 176.74 2k43 s MET 60 N 1.08 4.66 -1.10 0.00 0.23 -1.18 -1.32 119.30 121.67 2k43 s MET 60 Ca -0.09 1.27 -0.06 0.00 -1.03 0.00 0.00 55.69 55.78 2k43 s MET 60 Cb -0.13 -3.28 0.29 0.00 -1.53 0.00 0.00 34.83 30.18 2k43 s MET 60 CO -0.02 0.53 1.42 -3.47 -2.03 0.00 0.00 175.02 171.45 2k43 n ASP 61 N 1.66 6.14 0.00 -1.18 2.03 0.85 -4.71 116.55 121.34 2k43 n ASP 61 Ca -0.04 -3.31 0.00 0.00 0.52 0.00 0.00 54.79 51.96 2k43 n ASP 61 Cb 0.48 -1.31 0.00 0.00 -0.72 0.00 0.00 41.12 39.57 2k43 n ASP 61 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2k43 n THR 62 N 1.79 0.00 0.00 5.18 -1.04 -1.26 -2.07 114.28 116.87 2k43 n THR 62 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2k43 n THR 62 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k43 n ASP 63 N 2.89 0.00 0.06 8.00 -0.08 -1.26 -4.59 116.55 121.57 2k43 n ASP 63 Ca 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 54.79 53.39 2k43 n ASP 63 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k43 n GLY 64 N 0.00 -1.30 3.19 0.27 0.00 -0.88 -4.36 105.19 102.10 2k43 n GLY 64 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 2k43 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k43 s LEU 65 N -4.98 1.35 -0.18 0.99 1.43 -1.25 0.11 118.68 116.15 2k43 s LEU 65 Ca -0.02 -1.33 -0.01 0.00 -1.03 0.00 0.00 54.13 51.73 2k43 s LEU 65 Cb 0.11 0.36 0.05 0.00 0.03 0.00 0.00 46.19 46.74 2k43 s LEU 65 CO 0.83 -0.81 -0.01 -1.48 0.23 0.00 0.00 176.35 175.11 2k43 s LEU 66 N -3.12 1.42 0.05 1.79 -0.00 -1.26 -0.10 118.68 117.45 2k43 s LEU 66 Ca 0.34 -0.73 0.06 0.00 -0.00 0.00 0.00 54.13 53.80 2k43 s LEU 66 Cb 0.07 -0.75 -0.02 0.00 -0.00 0.00 0.00 46.19 45.49 2k43 s LEU 66 CO 0.09 -0.25 -0.17 -0.72 -0.00 0.00 0.00 176.35 175.30 2k43 s TYR 67 N 1.74 1.49 -0.04 3.48 1.13 -0.43 -4.61 117.35 120.11 2k43 s TYR 67 Ca -0.00 -0.37 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 2k43 s TYR 67 Cb -0.16 -0.88 0.11 0.00 -1.10 0.00 0.00 41.96 39.93 2k43 s TYR 67 CO -0.07 0.07 0.91 0.20 -2.51 0.00 0.00 175.55 174.15 2k43 s GLY 68 N -1.25 -0.43 0.27 5.49 0.00 -0.98 -1.29 107.32 109.13 2k43 s GLY 68 Ca 0.04 1.25 0.00 0.00 0.00 0.00 0.00 44.72 46.01 2k43 s GLY 68 CO 0.02 0.51 0.00 1.44 0.00 0.00 0.00 173.10 175.07 2k43 n SER 69 N 0.01 -1.59 0.01 1.64 7.64 -1.17 -2.26 113.62 117.91 2k43 n SER 69 Ca -0.09 0.50 -0.22 0.00 1.01 0.00 0.00 58.87 60.07 2k43 n SER 69 Cb 0.61 1.63 -0.14 0.00 -1.01 0.00 0.00 64.21 65.30 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2k43 h GLN 70 N 0.00 0.26 -5.11 1.43 4.20 -1.84 -1.70 115.11 112.35 2k43 h GLN 70 Ca 0.00 -0.44 -0.56 0.00 0.06 0.00 0.00 58.65 57.71 2k43 h GLN 70 Cb 0.00 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 27.81 2k43 h GLN 70 CO 0.00 1.21 -0.53 0.95 -0.67 0.00 0.00 178.83 179.78 2k43 s THR 71 N -2.50 0.81 -0.34 -0.54 -4.23 -1.26 -4.58 115.64 103.01 2k43 s THR 71 Ca -0.20 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.32 2k43 s THR 71 Cb 0.05 -2.42 0.09 0.00 1.34 0.00 0.00 72.50 71.56 2k43 s THR 71 CO 0.77 0.00 0.06 -2.16 -0.54 0.00 0.00 174.62 172.75 2k43 s PRO 72 N -3.77 1.91 0.72 3.99 0.04 -1.26 -2.32 135.00 134.30 2k43 s PRO 72 Ca 0.24 -1.68 0.02 0.00 0.04 0.00 0.00 61.00 59.61 2k43 s PRO 72 Cb 0.04 -3.27 0.14 0.00 0.04 0.00 0.00 34.50 31.45 2k43 s PRO 72 CO 0.13 -0.87 0.98 -1.71 0.04 0.00 0.00 177.00 175.57 2k43 n ASN 73 N 4.44 1.51 -4.24 6.66 5.15 -1.26 -5.00 115.26 122.51 2k43 n ASN 73 Ca -0.03 -2.23 -0.42 0.00 -0.60 0.00 0.00 54.58 51.29 2k43 n ASN 73 Cb 0.42 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.98 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k43 s GLU 74 N -5.07 2.64 0.00 1.20 1.03 -1.26 -4.00 118.70 113.24 2k43 s GLU 74 Ca 0.66 -1.74 0.00 0.00 0.03 0.00 0.00 54.97 53.93 2k43 s GLU 74 Cb -0.04 -4.04 0.00 0.00 -0.80 0.00 0.00 34.13 29.25 2k43 s GLU 74 CO 0.44 -1.23 0.00 0.39 -1.33 0.00 0.00 175.26 173.53 2k43 n GLU 75 N 5.01 2.39 0.00 -4.83 1.02 -1.26 -4.82 120.64 118.16 2k43 n GLU 75 Ca -0.10 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.12 2k43 n GLU 75 Cb 0.41 -0.64 0.47 0.00 -0.02 0.00 0.00 31.44 31.66 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k43 s LEU 77 N -1.66 4.17 0.15 0.00 1.43 -1.26 -4.30 118.68 117.20 2k43 s LEU 77 Ca 0.24 1.60 0.01 0.00 -1.03 0.00 0.00 54.13 54.95 2k43 s LEU 77 Cb 0.11 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.74 2k43 s LEU 77 CO 0.18 -0.70 -0.01 -0.36 0.23 0.00 0.00 176.35 175.70 2k43 s PHE 78 N 3.21 1.07 -0.08 0.29 0.08 -1.20 -4.14 117.98 117.21 2k43 s PHE 78 Ca 0.51 -1.02 -0.14 0.00 0.12 0.00 0.00 56.93 56.40 2k43 s PHE 78 Cb -0.20 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.59 2k43 s PHE 78 CO 0.13 -0.24 0.35 -1.17 -0.10 0.00 0.00 175.22 174.18 2k43 s LEU 79 N -3.12 4.37 -0.16 -0.37 0.20 0.71 -1.36 118.68 118.94 2k43 s LEU 79 Ca 0.21 0.74 -0.14 0.00 0.69 0.00 0.00 54.13 55.63 2k43 s LEU 79 Cb 0.06 -2.47 -0.05 0.00 -0.43 0.00 0.00 46.19 43.31 2k43 s LEU 79 CO 0.01 0.22 0.31 -0.70 -0.29 0.00 0.00 176.35 175.91 2k43 s GLU 80 N -0.38 4.27 -0.17 1.98 2.12 -0.34 -0.20 118.70 125.98 2k43 s GLU 80 Ca 0.21 0.13 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 2k43 s GLU 80 Cb -0.15 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.81 2k43 s GLU 80 CO 0.09 0.22 -0.11 0.50 -0.54 0.00 0.00 175.26 175.42 2k43 s ARG 81 N 0.51 3.32 -0.45 4.30 3.52 -0.25 -4.93 118.95 124.97 2k43 s ARG 81 Ca 0.17 -0.69 -0.20 0.00 -0.13 0.00 0.00 55.73 54.89 2k43 s ARG 81 Cb -0.13 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2k43 s ARG 81 CO 0.04 0.01 0.62 -0.51 -0.81 0.00 0.00 175.30 174.66 2k43 s LEU 82 N 0.86 4.62 -0.10 -0.88 1.43 -1.26 -0.52 118.68 122.83 2k43 s LEU 82 Ca -0.03 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 2k43 s LEU 82 Cb -0.15 -2.64 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2k43 s LEU 82 CO 0.00 -0.78 0.81 -0.70 0.23 0.00 0.00 176.35 175.91 2k43 s GLU 83 N 2.72 4.40 -0.27 1.70 2.56 -0.76 -4.98 118.70 124.07 2k43 s GLU 83 Ca 0.20 1.04 -0.22 0.00 0.00 0.00 0.00 54.97 55.99 2k43 s GLU 83 Cb -0.15 -3.51 -0.01 0.00 2.00 0.00 0.00 34.13 32.46 2k43 s GLU 83 CO 0.17 -0.13 0.72 -1.83 -0.56 0.00 0.00 175.26 173.63 2k43 s GLU 84 N 1.45 4.06 -1.80 4.30 4.04 -1.26 -2.51 118.70 126.98 2k43 s GLU 84 Ca 0.40 0.62 0.00 0.00 0.04 0.00 0.00 54.97 56.03 2k43 s GLU 84 Cb -0.18 -3.68 0.00 0.00 0.02 0.00 0.00 34.13 30.29 2k43 s GLU 84 CO 0.17 -0.53 0.00 0.09 -1.84 0.00 0.00 175.26 173.15 2k43 n ASN 85 N 5.93 -4.86 0.03 0.83 3.02 -1.26 -4.71 115.26 114.24 2k43 n ASN 85 Ca 0.02 0.34 0.00 0.00 -0.03 0.00 0.00 54.58 54.91 2k43 n ASN 85 Cb 0.48 -4.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.38 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k43 n HIS 86 N -2.63 -0.02 -3.56 3.10 8.25 -1.18 -5.16 115.22 114.02 2k43 n HIS 86 Ca -0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.18 2k43 n HIS 86 Cb 0.61 0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.71 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k43 s TYR 87 N -1.54 -0.41 -0.06 4.41 2.02 -1.04 -5.06 117.35 115.67 2k43 s TYR 87 Ca 0.00 0.14 -0.11 0.00 -0.37 0.00 0.00 57.07 56.73 2k43 s TYR 87 Cb 0.00 0.60 -0.05 0.00 -0.40 0.00 0.00 41.96 42.11 2k43 s TYR 87 CO 0.00 -0.91 0.28 -0.80 -1.57 0.00 0.00 175.55 172.55 2k43 s ASN 88 N -2.77 6.61 0.21 2.29 0.02 0.33 -1.83 114.94 119.80 2k43 s ASN 88 Ca 0.05 0.72 0.09 0.00 -1.02 0.00 0.00 52.86 52.70 2k43 s ASN 88 Cb -0.02 -2.17 -0.05 0.00 0.02 0.00 0.00 41.25 39.04 2k43 s ASN 88 CO -0.07 0.36 -0.18 -0.89 0.02 0.00 0.00 177.10 176.34 2k43 s THR 89 N -1.01 2.02 -0.06 1.60 2.01 0.33 -1.96 115.64 118.56 2k43 s THR 89 Ca 0.19 -2.18 -0.04 0.00 0.31 0.00 0.00 61.69 59.98 2k43 s THR 89 Cb -0.14 -2.07 0.03 0.00 0.01 0.00 0.00 72.50 70.33 2k43 s THR 89 CO 0.09 -0.43 0.15 -0.31 -0.69 0.00 0.00 174.62 173.42 2k43 s TYR 90 N -2.50 -0.17 0.13 4.92 2.02 -1.26 -1.09 117.35 119.41 2k43 s TYR 90 Ca 0.23 0.45 0.07 0.00 -0.37 0.00 0.00 57.07 57.45 2k43 s TYR 90 Cb -0.04 -0.03 -0.04 0.00 -0.40 0.00 0.00 41.96 41.45 2k43 s TYR 90 CO 0.09 -0.13 -0.09 -1.50 -1.57 0.00 0.00 175.55 172.35 2k43 s ILE 91 N 0.76 3.39 -0.72 2.71 2.07 0.72 -1.74 121.20 128.39 2k43 s ILE 91 Ca -0.06 -1.36 -0.22 0.00 -1.41 0.00 0.00 60.65 57.60 2k43 s ILE 91 Cb -0.08 -2.62 0.08 0.00 0.13 0.00 0.00 42.46 39.97 2k43 s ILE 91 CO -0.04 0.04 1.03 -0.55 -1.91 0.00 0.00 174.94 173.51 2k43 s SER 92 N -2.42 6.26 0.00 4.50 0.15 -1.08 -0.21 113.70 120.89 2k43 s SER 92 Ca 0.23 -1.15 0.29 0.00 0.70 0.00 0.00 55.95 56.02 2k43 s SER 92 Cb -0.10 -2.43 1.72 0.00 -1.71 0.00 0.00 66.02 63.50 2k43 s SER 92 CO 0.15 -1.41 2.08 2.29 1.20 0.00 0.00 173.24 177.55 2k43 n LYS 93 N 7.67 0.95 0.00 5.44 -0.00 -1.26 -2.02 118.16 128.94 2k43 n LYS 93 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 2k43 n LYS 93 Cb 0.46 -1.47 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2k43 n LYS 94 N -0.97 0.00 -1.37 -1.58 3.00 -1.26 -3.08 118.16 112.90 2k43 n LYS 94 Ca 0.22 0.28 -0.33 0.00 -0.00 0.00 0.00 58.31 58.48 2k43 n LYS 94 Cb 0.10 -1.15 0.06 0.00 0.00 0.00 0.00 35.03 34.04 2k43 n LYS 94 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 2k43 n HIS 95 N -1.13 2.87 -0.31 5.64 1.44 -1.24 -4.81 115.22 117.69 2k43 n HIS 95 Ca 0.00 -2.72 0.24 0.00 -2.01 0.00 0.00 57.72 53.23 2k43 n HIS 95 Cb 0.00 -1.34 0.45 0.00 0.12 0.00 0.00 29.99 29.22 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k43 n ALA 96 N -0.59 0.78 0.08 1.59 0.00 -0.86 0.00 120.51 121.51 2k43 n ALA 96 Ca 0.56 0.99 0.19 0.00 0.00 0.00 0.00 53.44 55.18 2k43 n ALA 96 Cb 0.57 -0.88 0.74 0.00 0.00 0.00 0.00 19.45 19.89 2k43 n ALA 96 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2k43 h GLU 97 N 0.00 0.00 -0.01 0.00 4.81 -1.87 -1.21 114.58 116.30 2k43 h GLU 97 Ca 0.71 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.94 2k43 h GLU 97 Cb 1.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.13 2k43 h GLU 97 CO -0.80 0.00 -0.10 1.63 -0.73 0.00 0.00 179.01 179.02 2k43 n LYS 98 N -4.01 1.40 -1.04 1.92 4.01 0.10 -4.94 118.16 115.60 2k43 n LYS 98 Ca 0.07 -0.85 -0.01 0.00 -0.51 0.00 0.00 58.31 57.01 2k43 n LYS 98 Cb 0.54 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.57 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2k43 n ASN 99 N -0.06 -3.06 -4.80 4.39 5.15 -0.46 -5.02 115.26 111.40 2k43 n ASN 99 Ca 0.16 0.02 -0.34 0.00 -0.60 0.00 0.00 54.58 53.82 2k43 n ASN 99 Cb 0.37 -0.65 -0.05 0.00 -0.53 0.00 0.00 39.78 38.91 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 2k43 s TRP 100 N -2.03 3.20 0.01 1.20 0.52 -1.26 -4.98 118.94 115.61 2k43 s TRP 100 Ca 0.00 1.61 -0.02 0.00 0.02 0.00 0.00 56.10 57.71 2k43 s TRP 100 Cb 0.00 -2.97 -0.04 0.00 -1.15 0.00 0.00 33.47 29.30 2k43 s TRP 100 CO 0.00 -0.44 0.19 -0.06 0.02 0.00 0.00 176.95 176.66 2k43 s PHE 101 N -2.00 3.54 -0.36 -1.98 0.40 -0.59 -2.65 117.98 114.34 2k43 s PHE 101 Ca 0.63 0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 57.13 2k43 s PHE 101 Cb -0.14 -1.82 -0.00 0.00 0.51 0.00 0.00 43.02 41.57 2k43 s PHE 101 CO 0.18 0.63 0.44 0.54 0.70 0.00 0.00 175.22 177.71 2k43 s VAL 102 N -1.38 5.09 0.07 -0.44 0.11 -0.71 -4.51 120.40 118.63 2k43 s VAL 102 Ca 0.29 0.09 0.01 0.00 -2.93 0.00 0.00 61.98 59.45 2k43 s VAL 102 Cb -0.13 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.76 2k43 s VAL 102 CO 0.21 -0.21 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.88 2k43 s GLY 103 N 1.77 0.62 0.03 6.54 0.00 -1.26 -4.47 107.32 110.54 2k43 s GLY 103 Ca 0.15 -1.13 0.03 0.00 0.00 0.00 0.00 44.72 43.77 2k43 s GLY 103 CO 0.13 -1.22 -0.09 0.48 0.00 0.00 0.00 173.10 172.40 2k43 s LEU 104 N -2.53 2.15 -0.63 0.66 2.34 -0.63 -2.88 118.68 117.16 2k43 s LEU 104 Ca 0.04 -0.37 -0.17 0.00 0.06 0.00 0.00 54.13 53.68 2k43 s LEU 104 Cb 0.01 -0.34 0.13 0.00 -0.56 0.00 0.00 46.19 45.43 2k43 s LEU 104 CO -0.04 -0.04 0.66 -0.75 -1.06 0.00 0.00 176.35 175.12 2k43 s LYS 105 N -0.97 3.15 0.37 1.48 2.36 -0.82 -4.42 119.74 120.89 2k43 s LYS 105 Ca -0.03 -1.68 0.25 0.00 -2.55 0.00 0.00 55.97 51.96 2k43 s LYS 105 Cb -0.07 -4.34 0.58 0.00 -1.05 0.00 0.00 37.83 32.95 2k43 s LYS 105 CO 0.00 -1.43 1.69 1.57 1.55 0.00 0.00 175.35 178.73 2k43 h LYS 106 N 8.82 0.00 0.00 4.03 5.09 -1.55 0.57 116.57 133.54 2k43 h LYS 106 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.53 2k43 h LYS 106 Cb 1.08 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.41 2k43 h LYS 106 CO 1.02 0.00 0.00 -1.71 -2.09 0.00 0.00 179.45 176.67 2k43 n ASN 107 N -2.82 0.10 0.00 7.07 2.85 -1.26 -1.57 115.26 119.64 2k43 n ASN 107 Ca 0.04 0.53 0.00 0.00 -0.11 0.00 0.00 54.58 55.04 2k43 n ASN 107 Cb 0.47 -0.55 0.00 0.00 1.24 0.00 0.00 39.78 40.94 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k43 n GLY 108 N -0.60 0.30 3.84 8.20 0.00 0.02 -4.83 105.19 112.12 2k43 n GLY 108 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.97 2k43 n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k43 s SER 109 N 1.00 -0.18 0.26 1.61 1.04 0.18 -1.95 113.70 115.66 2k43 s SER 109 Ca 0.00 -0.73 -0.28 0.00 0.48 0.00 0.00 55.95 55.42 2k43 s SER 109 Cb 0.00 0.74 -0.09 0.00 0.10 0.00 0.00 66.02 66.77 2k43 s SER 109 CO 0.00 -1.40 0.93 0.00 0.98 0.00 0.00 173.24 173.75 2k43 s LYS 111 N -1.50 2.18 0.42 0.00 2.47 -1.14 -4.73 119.74 117.45 2k43 s LYS 111 Ca 0.44 -0.96 0.01 0.00 -1.56 0.00 0.00 55.97 53.90 2k43 s LYS 111 Cb -0.23 -2.31 -0.01 0.00 -1.46 0.00 0.00 37.83 33.82 2k43 s LYS 111 CO 0.29 0.53 0.63 -0.98 0.16 0.00 0.00 175.35 175.98 2k43 s ARG 112 N -1.85 3.14 0.28 4.03 1.70 -1.26 -4.39 118.95 120.60 2k43 s ARG 112 Ca 0.19 -0.50 0.01 0.00 -0.47 0.00 0.00 55.73 54.96 2k43 s ARG 112 Cb -0.11 -2.60 0.41 0.00 -0.57 0.00 0.00 34.95 32.09 2k43 s ARG 112 CO 0.10 -0.17 1.75 0.78 -1.08 0.00 0.00 175.30 176.68 2k43 h GLY 113 N 0.50 0.63 1.11 3.88 0.00 0.54 -2.58 103.07 107.16 2k43 h GLY 113 Ca -0.47 -0.46 0.03 0.00 0.00 0.00 0.00 47.33 46.43 2k43 h GLY 113 CO 0.58 0.43 0.42 -2.55 0.00 0.00 0.00 176.54 175.41 2k43 h PRO 114 N 0.53 0.00 0.00 4.80 0.11 -1.92 -1.30 132.00 134.22 2k43 h PRO 114 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 2k43 h PRO 114 Cb 0.56 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.67 2k43 h PRO 114 CO 0.04 0.00 -0.09 0.54 -0.21 0.00 0.00 178.00 178.28 2k43 n ARG 115 N -3.01 1.39 -3.26 1.05 3.00 -0.98 -4.94 116.66 109.92 2k43 n ARG 115 Ca 0.00 -1.68 -0.46 0.00 -0.01 0.00 0.00 57.85 55.70 2k43 n ARG 115 Cb 0.49 -1.03 -0.04 0.00 0.00 0.00 0.00 32.46 31.87 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k43 s THR 116 N -1.40 5.17 -5.00 0.55 -4.23 -0.49 -3.74 115.64 106.50 2k43 s THR 116 Ca 0.12 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2k43 s THR 116 Cb 0.11 -4.40 0.00 0.00 1.34 0.00 0.00 72.50 69.54 2k43 s THR 116 CO 0.01 -0.97 0.00 0.00 -0.54 0.00 0.00 174.62 173.12 2k43 n HIS 117 N 5.33 0.00 -2.76 3.99 1.44 -1.26 -1.54 115.22 120.42 2k43 n HIS 117 Ca -0.08 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.20 2k43 n HIS 117 Cb 0.42 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.52 2k43 n HIS 117 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2k43 s TYR 118 N -2.35 3.07 -0.09 -1.40 2.02 -1.26 -3.71 117.35 113.62 2k43 s TYR 118 Ca 0.00 -1.71 0.03 0.00 -0.37 0.00 0.00 57.07 55.01 2k43 s TYR 118 Cb 0.00 -4.53 -0.07 0.00 -0.40 0.00 0.00 41.96 36.95 2k43 s TYR 118 CO 0.00 -1.63 -0.05 0.41 -1.57 0.00 0.00 175.55 172.71 2k43 n GLY 119 N 5.07 -0.21 3.09 0.71 0.00 -1.26 -5.08 105.19 107.51 2k43 n GLY 119 Ca 0.40 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 2k43 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k43 s GLN 120 N -2.20 0.60 0.00 1.61 -0.21 -1.24 -5.01 119.66 113.22 2k43 s GLN 120 Ca -0.10 -0.94 0.00 0.00 0.02 0.00 0.00 55.36 54.34 2k43 s GLN 120 Cb 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 33.01 33.84 2k43 s GLN 120 CO 0.26 0.01 0.65 1.63 -2.12 0.00 0.00 175.29 175.72 2k43 n LYS 121 N 0.96 0.97 0.00 2.91 4.01 -1.26 -3.25 118.16 122.51 2k43 n LYS 121 Ca -0.19 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.68 2k43 n LYS 121 Cb 0.57 -1.32 0.33 0.00 -0.51 0.00 0.00 35.03 34.10 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k43 n ALA 122 N -0.16 1.72 1.37 7.82 0.00 -1.26 -1.84 120.51 128.16 2k43 n ALA 122 Ca 0.00 -0.06 0.13 0.00 0.00 0.00 0.00 53.44 53.52 2k43 n ALA 122 Cb 0.16 -1.24 0.42 0.00 0.00 0.00 0.00 19.45 18.80 2k43 n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k43 n ILE 123 N -1.43 0.01 -3.18 0.00 2.08 -1.20 -1.60 119.36 114.04 2k43 n ILE 123 Ca 0.05 -0.31 -0.46 0.00 0.56 0.00 0.00 62.75 62.59 2k43 n ILE 123 Cb 0.15 0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 39.76 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2k43 s LEU 124 N -1.99 6.07 -0.05 1.39 1.43 -0.77 -4.67 118.68 120.09 2k43 s LEU 124 Ca 0.36 -2.60 -0.12 0.00 -1.03 0.00 0.00 54.13 50.73 2k43 s LEU 124 Cb 0.21 -2.28 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2k43 s LEU 124 CO 0.33 -0.71 0.31 -0.36 0.23 0.00 0.00 176.35 176.15 2k43 s PHE 125 N 0.91 3.67 -0.10 0.29 0.40 -0.83 -3.96 117.98 118.35 2k43 s PHE 125 Ca 0.26 0.81 -0.02 0.00 -0.60 0.00 0.00 56.93 57.38 2k43 s PHE 125 Cb -0.08 -2.18 0.04 0.00 0.51 0.00 0.00 43.02 41.31 2k43 s PHE 125 CO -0.08 0.64 0.01 -1.17 0.70 0.00 0.00 175.22 175.32 2k43 s LEU 126 N -0.93 0.73 -0.40 -0.37 1.98 -0.40 -0.52 118.68 118.77 2k43 s LEU 126 Ca 0.20 -0.26 -0.11 0.00 -2.89 0.00 0.00 54.13 51.07 2k43 s LEU 126 Cb -0.15 -0.49 0.05 0.00 0.66 0.00 0.00 46.19 46.27 2k43 s LEU 126 CO 0.10 -0.22 0.25 -2.16 -1.89 0.00 0.00 176.35 172.43 2k43 s PRO 127 N 1.94 2.76 -0.27 0.98 0.04 -1.26 -2.13 135.00 137.06 2k43 s PRO 127 Ca 0.04 -1.26 -0.08 0.00 0.04 0.00 0.00 61.00 59.73 2k43 s PRO 127 Cb -0.13 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2k43 s PRO 127 CO -0.06 -0.84 0.10 -0.51 0.04 0.00 0.00 177.00 175.73 2k43 s LEU 128 N 1.52 3.65 0.38 -3.56 1.43 -1.10 -4.82 118.68 116.17 2k43 s LEU 128 Ca 0.03 -0.25 -0.13 0.00 -1.03 0.00 0.00 54.13 52.74 2k43 s LEU 128 Cb -0.21 -1.96 -0.08 0.00 0.03 0.00 0.00 46.19 43.97 2k43 s LEU 128 CO 0.05 -0.07 0.78 -2.16 0.23 0.00 0.00 176.35 175.18 2k43 s PRO 129 N 1.63 3.90 0.42 1.29 0.04 -1.26 0.06 135.00 141.07 2k43 s PRO 129 Ca 0.06 0.61 -0.22 0.00 0.04 0.00 0.00 61.00 61.49 2k43 s PRO 129 Cb -0.16 -2.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.91 2k43 s PRO 129 CO 0.05 0.01 0.98 0.08 0.04 0.00 0.00 177.00 178.17 2k43 s VAL 130 N -2.24 4.14 -0.23 -0.36 1.01 -1.21 -4.93 120.40 116.58 2k43 s VAL 130 Ca 0.53 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.82 2k43 s VAL 130 Cb -0.10 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2k43 s VAL 130 CO 0.25 -0.18 0.33 -0.55 0.00 0.00 0.00 175.10 174.96 2k43 s SER 131 N -1.96 6.31 -0.33 3.32 0.15 -1.26 -3.78 113.70 116.15 2k43 s SER 131 Ca 0.61 0.35 -0.01 0.00 0.70 0.00 0.00 55.95 57.59 2k43 s SER 131 Cb -0.14 -2.19 0.12 0.00 -1.71 0.00 0.00 66.02 62.09 2k43 s SER 131 CO 0.18 -0.07 0.16 -0.44 1.20 0.00 0.00 173.24 174.27 2k43 s SER 132 N 1.22 3.49 0.00 5.45 0.01 -1.26 -5.02 113.70 117.59 2k43 s SER 132 Ca 0.15 -1.79 0.00 0.00 1.31 0.00 0.00 55.95 55.62 2k43 s SER 132 Cb -0.15 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.52 2k43 s SER 132 CO 0.08 -0.38 0.23 0.47 0.41 0.00 0.00 173.24 174.05