#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 0.03 0.30 -0.72 -2.85 -1.25 -4.78 119.74 110.47 2k43 s LYS 2 Ca 0.00 0.08 -0.20 0.00 -1.00 0.00 0.00 55.97 54.85 2k43 s LYS 2 Cb 0.00 -0.03 0.03 0.00 -2.06 0.00 0.00 37.83 35.77 2k43 s LYS 2 CO 0.00 -0.04 0.75 0.15 0.10 0.00 0.00 175.35 176.32 2k43 s LYS 3 N 0.22 1.86 0.12 1.78 1.02 -1.18 -4.46 119.74 119.11 2k43 s LYS 3 Ca -0.02 -1.08 -0.33 0.00 0.02 0.00 0.00 55.97 54.56 2k43 s LYS 3 Cb -0.03 0.60 -0.18 0.00 -0.52 0.00 0.00 37.83 37.71 2k43 s LYS 3 CO -0.01 -0.86 0.87 -2.30 -0.92 0.00 0.00 175.35 172.14 2k43 n PRO 4 N -0.48 0.29 -2.82 -1.68 -0.01 -1.26 -4.15 135.00 124.89 2k43 n PRO 4 Ca -0.05 0.10 -0.34 0.00 -0.01 0.00 0.00 63.50 63.20 2k43 n PRO 4 Cb 0.59 -1.40 -0.07 0.00 -0.01 0.00 0.00 33.50 32.61 2k43 n PRO 4 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 175.50 175.70 2k43 s LYS 5 N -0.52 4.33 0.00 -0.52 2.36 0.25 -3.37 119.74 122.28 2k43 s LYS 5 Ca 0.76 1.17 -0.05 0.00 -2.55 0.00 0.00 55.97 55.30 2k43 s LYS 5 Cb -1.03 -2.39 -0.04 0.00 -1.05 0.00 0.00 37.83 33.31 2k43 s LYS 5 CO 0.56 0.08 0.23 -1.17 1.55 0.00 0.00 175.35 176.60 2k43 s LEU 6 N -2.80 4.37 -0.79 5.43 0.20 0.11 -1.88 118.68 123.32 2k43 s LEU 6 Ca 0.58 0.47 -0.18 0.00 0.69 0.00 0.00 54.13 55.69 2k43 s LEU 6 Cb -0.12 -2.65 0.14 0.00 -0.43 0.00 0.00 46.19 43.13 2k43 s LEU 6 CO 0.17 0.26 0.90 -0.22 -0.29 0.00 0.00 176.35 177.17 2k43 s LEU 7 N -1.83 5.54 -0.67 -0.68 0.20 -1.26 -3.15 118.68 116.82 2k43 s LEU 7 Ca 0.27 -1.96 -0.13 0.00 0.69 0.00 0.00 54.13 53.00 2k43 s LEU 7 Cb -0.13 -2.32 0.17 0.00 -0.43 0.00 0.00 46.19 43.48 2k43 s LEU 7 CO 0.17 -0.98 0.59 -0.47 -0.29 0.00 0.00 176.35 175.37 2k43 s TYR 8 N 2.14 3.53 -0.41 5.38 6.14 -0.95 -3.47 117.35 129.71 2k43 s TYR 8 Ca 0.22 -1.84 0.02 0.00 0.64 0.00 0.00 57.07 56.11 2k43 s TYR 8 Cb -0.13 -3.71 0.12 0.00 0.42 0.00 0.00 41.96 38.67 2k43 s TYR 8 CO -0.04 -0.98 0.19 0.00 0.64 0.00 0.00 175.55 175.36 2k43 s SER 10 N 0.64 1.40 0.34 0.00 0.01 -1.26 -3.49 113.70 111.33 2k43 s SER 10 Ca 0.15 -0.74 -0.23 0.00 1.31 0.00 0.00 55.95 56.44 2k43 s SER 10 Cb -0.22 0.00 -0.10 0.00 0.21 0.00 0.00 66.02 65.91 2k43 s SER 10 CO -0.06 -0.22 0.91 0.21 0.41 0.00 0.00 173.24 174.48 2k43 s ASN 11 N -2.18 7.17 -0.17 2.44 3.84 -1.26 -4.86 114.94 119.92 2k43 s ASN 11 Ca 0.02 1.72 -0.32 0.00 0.21 0.00 0.00 52.86 54.48 2k43 s ASN 11 Cb -0.05 -2.54 -0.10 0.00 -0.55 0.00 0.00 41.25 38.01 2k43 s ASN 11 CO 0.00 -0.14 2.05 0.61 -2.79 0.00 0.00 177.10 176.84 2k43 n GLY 12 N 0.23 1.17 0.00 1.21 0.00 -1.26 -4.77 105.19 101.77 2k43 n GLY 12 Ca 0.03 0.85 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 5.27 5.44 3.57 -0.02 0.00 -1.26 -5.02 105.19 113.17 2k43 n GLY 13 Ca 0.28 -1.36 -0.24 0.00 0.00 0.00 0.00 46.02 44.71 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 0.17 2.49 0.03 1.61 3.76 -1.26 -4.91 115.29 117.19 2k43 s HIS 14 Ca 0.00 -0.34 -0.16 0.00 -0.15 0.00 0.00 55.06 54.41 2k43 s HIS 14 Cb 0.00 -1.22 -0.06 0.00 1.11 0.00 0.00 32.58 32.40 2k43 s HIS 14 CO 0.00 0.61 0.47 -0.06 -0.85 0.00 0.00 174.74 174.91 2k43 s PHE 15 N -2.46 3.74 -0.32 1.40 0.08 -0.41 -4.24 117.98 115.77 2k43 s PHE 15 Ca 0.32 1.08 -0.26 0.00 0.12 0.00 0.00 56.93 58.19 2k43 s PHE 15 Cb -0.03 -2.35 0.01 0.00 -0.57 0.00 0.00 43.02 40.07 2k43 s PHE 15 CO 0.18 0.61 0.91 -1.17 -0.10 0.00 0.00 175.22 175.65 2k43 s LEU 16 N -1.16 4.03 0.11 -0.37 2.96 -1.23 -0.74 118.68 122.28 2k43 s LEU 16 Ca 0.26 0.77 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 2k43 s LEU 16 Cb -0.17 -3.26 -0.04 0.00 0.50 0.00 0.00 46.19 43.22 2k43 s LEU 16 CO 0.16 -0.75 -0.15 0.00 -1.32 0.00 0.00 176.35 174.29 2k43 s ARG 17 N 3.27 1.00 -0.00 1.98 1.70 0.95 -4.59 118.95 123.26 2k43 s ARG 17 Ca 0.38 -1.18 -0.17 0.00 -0.47 0.00 0.00 55.73 54.29 2k43 s ARG 17 Cb -0.13 -0.94 -0.06 0.00 -0.57 0.00 0.00 34.95 33.25 2k43 s ARG 17 CO 0.14 0.19 0.47 0.96 -1.08 0.00 0.00 175.30 175.99 2k43 s ILE 18 N -1.87 4.97 -0.16 4.99 -4.36 -1.18 -1.69 121.20 121.91 2k43 s ILE 18 Ca 0.07 0.98 -0.01 0.00 -0.26 0.00 0.00 60.65 61.43 2k43 s ILE 18 Cb -0.06 -3.79 -0.01 0.00 1.25 0.00 0.00 42.46 39.84 2k43 s ILE 18 CO 0.03 0.52 -0.11 -0.76 0.24 0.00 0.00 174.94 174.86 2k43 s LEU 19 N -0.72 2.74 0.00 0.37 1.02 -0.29 -4.99 118.68 116.81 2k43 s LEU 19 Ca 0.26 -0.36 0.00 0.00 0.02 0.00 0.00 54.13 54.05 2k43 s LEU 19 Cb -0.17 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.40 2k43 s LEU 19 CO 0.14 0.11 0.37 -2.65 0.02 0.00 0.00 176.35 174.35 2k43 n PRO 20 N 3.92 0.68 0.06 1.29 -0.02 -1.26 -0.92 135.00 138.75 2k43 n PRO 20 Ca -0.18 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.39 2k43 n PRO 20 Cb 0.52 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.62 2k43 n PRO 20 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2k43 n ASP 21 N 0.21 0.62 0.00 2.55 2.03 -1.26 -4.97 116.55 115.73 2k43 n ASP 21 Ca 0.00 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2k43 n ASP 21 Cb 0.19 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k43 n GLY 22 N 1.24 1.04 3.17 0.27 0.00 -0.09 -5.05 105.19 105.76 2k43 n GLY 22 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.81 1.24 -0.29 2.61 2.01 -0.91 -3.70 115.64 114.79 2k43 s THR 23 Ca 0.00 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.00 2k43 s THR 23 Cb 0.00 -1.10 0.08 0.00 0.01 0.00 0.00 72.50 71.49 2k43 s THR 23 CO 0.00 0.08 0.01 0.54 -0.69 0.00 0.00 174.62 174.56 2k43 s VAL 24 N -0.79 1.62 0.12 3.82 0.11 -1.21 -1.13 120.40 122.94 2k43 s VAL 24 Ca 0.03 -1.63 0.04 0.00 -2.93 0.00 0.00 61.98 57.49 2k43 s VAL 24 Cb -0.08 -2.06 -0.04 0.00 -1.53 0.00 0.00 36.38 32.67 2k43 s VAL 24 CO 0.01 -0.40 -0.11 1.51 -3.33 0.00 0.00 175.10 172.79 2k43 s ASP 25 N 1.28 1.66 0.15 3.54 1.47 -0.68 -2.67 116.67 121.41 2k43 s ASP 25 Ca 0.03 -0.89 -0.30 0.00 1.18 0.00 0.00 52.55 52.58 2k43 s ASP 25 Cb -0.19 -0.01 -0.07 0.00 -0.34 0.00 0.00 42.92 42.32 2k43 s ASP 25 CO -0.11 -0.27 0.95 -0.83 0.68 0.00 0.00 175.17 175.59 2k43 s GLY 26 N -2.71 3.04 -0.04 2.12 0.00 -0.20 -0.03 107.32 109.50 2k43 s GLY 26 Ca 0.10 0.59 -0.07 0.00 0.00 0.00 0.00 44.72 45.33 2k43 s GLY 26 CO 0.01 1.37 0.17 -1.59 0.00 0.00 0.00 173.10 173.06 2k43 s THR 27 N -0.35 0.04 -0.56 0.90 2.01 0.09 -4.56 115.64 113.21 2k43 s THR 27 Ca 0.45 -0.31 -0.23 0.00 0.31 0.00 0.00 61.69 61.91 2k43 s THR 27 Cb -0.24 -0.35 0.05 0.00 0.01 0.00 0.00 72.50 71.97 2k43 s THR 27 CO 0.30 -0.17 0.91 -0.13 -0.69 0.00 0.00 174.62 174.84 2k43 s ARG 28 N -0.58 3.28 -0.20 4.92 0.52 -1.26 -1.29 118.95 124.34 2k43 s ARG 28 Ca -0.07 -0.40 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 2k43 s ARG 28 Cb -0.04 -4.08 0.10 0.00 0.52 0.00 0.00 34.95 31.45 2k43 s ARG 28 CO 0.01 -1.49 0.34 0.34 0.02 0.00 0.00 175.30 174.51 2k43 s ASP 29 N 2.92 0.30 -0.06 0.23 2.15 -1.26 -4.97 116.67 115.97 2k43 s ASP 29 Ca 0.28 0.46 0.09 0.00 0.43 0.00 0.00 52.55 53.81 2k43 s ASP 29 Cb -0.14 0.97 0.14 0.00 -0.30 0.00 0.00 42.92 43.60 2k43 s ASP 29 CO 0.17 -0.27 1.05 -2.11 -0.17 0.00 0.00 175.17 173.84 2k43 n ARG 30 N 5.36 0.82 0.00 4.34 0.00 -1.26 -4.67 116.66 121.24 2k43 n ARG 30 Ca -0.06 -1.79 0.09 0.00 -0.00 0.00 0.00 57.85 56.09 2k43 n ARG 30 Cb 0.50 -1.03 -0.01 0.00 -0.00 0.00 0.00 32.46 31.92 2k43 n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k43 n SER 31 N -0.75 1.78 -3.14 2.89 7.64 -1.26 -4.95 113.62 115.84 2k43 n SER 31 Ca 0.08 -1.39 -0.13 0.00 1.01 0.00 0.00 58.87 58.43 2k43 n SER 31 Cb 0.63 0.49 -0.02 0.00 -1.01 0.00 0.00 64.21 64.30 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k43 n ASP 32 N -0.12 2.48 -2.14 6.43 -0.08 -1.26 -5.05 116.55 116.81 2k43 n ASP 32 Ca 0.08 -1.93 -0.27 0.00 -1.51 0.00 0.00 54.79 51.16 2k43 n ASP 32 Cb 0.40 0.13 0.12 0.00 2.34 0.00 0.00 41.12 44.10 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k43 n GLN 33 N -0.61 2.57 -0.07 -0.67 10.64 -1.26 -4.47 117.38 123.51 2k43 n GLN 33 Ca -0.08 -3.29 -0.04 0.00 -1.83 0.00 0.00 57.00 51.75 2k43 n GLN 33 Cb 0.27 -2.21 -0.16 0.00 -0.86 0.00 0.00 30.24 27.29 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2k43 n HIS 34 N -0.99 0.00 0.17 2.61 8.25 -1.26 -4.34 115.22 119.66 2k43 n HIS 34 Ca 0.57 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 58.08 2k43 n HIS 34 Cb 1.03 -0.85 0.22 0.00 1.12 0.00 0.00 29.99 31.51 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -2.61 1.21 -3.57 1.59 -6.64 -1.26 -3.09 119.36 104.99 2k43 n ILE 35 Ca -0.25 -0.73 -0.41 0.00 -1.77 0.00 0.00 62.75 59.59 2k43 n ILE 35 Cb 0.99 -0.09 -0.08 0.00 -1.44 0.00 0.00 39.64 39.01 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k43 s GLN 36 N -1.79 2.53 -0.13 6.28 -2.07 -1.26 -4.19 119.66 119.03 2k43 s GLN 36 Ca 0.31 -1.89 -0.00 0.00 -1.82 0.00 0.00 55.36 51.96 2k43 s GLN 36 Cb 0.21 -3.92 -0.02 0.00 -1.09 0.00 0.00 33.01 28.19 2k43 s GLN 36 CO 0.14 -1.19 -0.12 -0.48 -1.32 0.00 0.00 175.29 172.32 2k43 s LEU 37 N 1.13 2.80 -0.47 2.60 2.34 -0.79 -3.10 118.68 123.19 2k43 s LEU 37 Ca 0.08 -0.28 -0.23 0.00 0.06 0.00 0.00 54.13 53.76 2k43 s LEU 37 Cb -0.24 -1.63 0.03 0.00 -0.56 0.00 0.00 46.19 43.78 2k43 s LEU 37 CO -0.02 0.18 0.79 0.00 -1.06 0.00 0.00 176.35 176.24 2k43 s GLN 38 N 0.25 3.36 -0.59 1.48 -2.07 0.71 0.88 119.66 123.68 2k43 s GLN 38 Ca -0.08 -0.22 -0.22 0.00 -1.82 0.00 0.00 55.36 53.02 2k43 s GLN 38 Cb -0.15 -3.97 0.06 0.00 -1.09 0.00 0.00 33.01 27.86 2k43 s GLN 38 CO 0.05 -1.19 0.86 -1.17 -1.32 0.00 0.00 175.29 172.53 2k43 s LEU 39 N 3.32 4.53 0.39 2.60 2.96 -1.26 -2.65 118.68 128.56 2k43 s LEU 39 Ca 0.28 -0.85 0.08 0.00 -0.22 0.00 0.00 54.13 53.42 2k43 s LEU 39 Cb -0.13 -2.53 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 2k43 s LEU 39 CO 0.21 -1.24 0.29 -0.44 -1.32 0.00 0.00 176.35 173.85 2k43 s SER 40 N 3.25 4.93 -0.43 3.68 0.01 -0.92 -4.95 113.70 119.26 2k43 s SER 40 Ca 0.22 -0.76 -0.03 0.00 1.31 0.00 0.00 55.95 56.69 2k43 s SER 40 Cb -0.17 -0.66 0.12 0.00 0.21 0.00 0.00 66.02 65.51 2k43 s SER 40 CO 0.13 -0.51 0.24 0.00 0.41 0.00 0.00 173.24 173.50 2k43 s ALA 41 N -2.45 3.22 -0.23 1.44 0.00 -1.26 -0.92 121.76 121.56 2k43 s ALA 41 Ca 0.44 -2.61 -0.19 0.00 0.00 0.00 0.00 51.96 49.60 2k43 s ALA 41 Cb -0.02 -2.47 -0.17 0.00 0.00 0.00 0.00 23.12 20.46 2k43 s ALA 41 CO 0.26 -1.84 0.05 -1.91 0.00 0.00 0.00 175.76 172.32 2k43 n GLU 42 N 4.50 0.58 -4.32 0.00 4.07 -1.13 -4.88 120.64 119.46 2k43 n GLU 42 Ca -0.02 0.47 -0.25 0.00 -0.06 0.00 0.00 57.16 57.31 2k43 n GLU 42 Cb 0.41 -1.67 -0.09 0.00 -0.06 0.00 0.00 31.44 30.03 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 -7.04 4.24 -0.02 4.31 0.01 -1.24 -5.05 113.70 108.91 2k43 s SER 43 Ca -0.32 -0.68 -0.30 0.00 1.31 0.00 0.00 55.95 55.96 2k43 s SER 43 Cb 0.09 -0.69 -0.09 0.00 0.21 0.00 0.00 66.02 65.54 2k43 s SER 43 CO 0.57 0.06 2.01 0.55 0.41 0.00 0.00 173.24 176.83 2k43 n VAL 44 N -0.41 0.69 0.00 3.43 3.14 -1.26 -1.63 118.33 122.29 2k43 n VAL 44 Ca -0.08 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.11 2k43 n VAL 44 Cb 0.57 -2.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.05 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k43 n GLY 45 N 4.75 3.04 3.85 7.55 0.00 -1.26 -5.02 105.19 118.10 2k43 n GLY 45 Ca 0.22 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 2k43 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k43 s GLU 46 N 0.00 3.81 -0.04 1.61 -1.05 -0.64 -2.41 118.70 119.98 2k43 s GLU 46 Ca 0.00 0.28 0.01 0.00 -0.15 0.00 0.00 54.97 55.11 2k43 s GLU 46 Cb 0.00 -3.19 -0.03 0.00 -0.44 0.00 0.00 34.13 30.47 2k43 s GLU 46 CO 0.00 0.70 -0.03 0.14 0.95 0.00 0.00 175.26 177.02 2k43 s VAL 47 N -1.11 3.99 -0.17 1.83 -7.23 -0.11 -2.86 120.40 114.76 2k43 s VAL 47 Ca 0.23 -0.50 -0.00 0.00 -1.81 0.00 0.00 61.98 59.90 2k43 s VAL 47 Cb -0.16 -2.71 0.00 0.00 0.56 0.00 0.00 36.38 34.08 2k43 s VAL 47 CO 0.12 0.50 -0.15 -0.47 -0.31 0.00 0.00 175.10 174.79 2k43 s TYR 48 N -0.95 2.80 -0.47 2.82 5.04 -0.09 -2.01 117.35 124.49 2k43 s TYR 48 Ca 0.16 -1.18 -0.18 0.00 -2.44 0.00 0.00 57.07 53.43 2k43 s TYR 48 Cb -0.11 -1.92 0.05 0.00 0.35 0.00 0.00 41.96 40.32 2k43 s TYR 48 CO 0.05 -0.57 0.51 0.42 -1.34 0.00 0.00 175.55 174.63 2k43 s ILE 49 N 1.02 5.02 0.12 3.14 1.01 -1.26 -2.16 121.20 128.08 2k43 s ILE 49 Ca -0.01 -0.52 0.10 0.00 0.00 0.00 0.00 60.65 60.21 2k43 s ILE 49 Cb -0.15 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2k43 s ILE 49 CO -0.04 -0.62 -0.22 -0.75 0.00 0.00 0.00 174.94 173.32 2k43 s LYS 50 N 2.27 1.62 -0.10 2.79 2.20 -1.08 -4.73 119.74 122.70 2k43 s LYS 50 Ca 0.12 -1.25 -0.27 0.00 -0.36 0.00 0.00 55.97 54.21 2k43 s LYS 50 Cb -0.19 -2.02 -0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2k43 s LYS 50 CO 0.12 0.47 0.90 0.45 -0.36 0.00 0.00 175.35 176.93 2k43 s SER 51 N -2.07 7.13 0.00 1.43 0.15 -1.23 -0.20 113.70 118.91 2k43 s SER 51 Ca 0.16 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.19 2k43 s SER 51 Cb -0.10 -2.50 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2k43 s SER 51 CO 0.08 -0.35 0.00 0.41 1.20 0.00 0.00 173.24 174.58 2k43 n THR 52 N 4.39 0.00 -0.08 6.45 -1.04 -1.23 -4.66 114.28 118.12 2k43 n THR 52 Ca 0.05 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.84 2k43 n THR 52 Cb 0.49 -0.06 -0.12 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.62 -0.46 -2.82 4.07 -1.26 -4.56 120.64 116.23 2k43 n GLU 53 Ca 0.00 0.44 0.06 0.00 -0.06 0.00 0.00 57.16 57.60 2k43 n GLU 53 Cb 0.00 -1.70 0.22 0.00 -0.06 0.00 0.00 31.44 29.90 2k43 n GLU 53 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2k43 n THR 54 N -4.12 2.26 0.06 6.31 -1.04 -1.26 -4.92 114.28 111.58 2k43 n THR 54 Ca -0.35 -2.23 0.09 0.00 -2.04 0.00 0.00 64.05 59.51 2k43 n THR 54 Cb 0.81 -0.27 -0.06 0.00 -1.82 0.00 0.00 70.33 69.00 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 -0.89 -1.30 0.00 3.41 0.00 -1.18 -4.45 105.19 100.78 2k43 n GLY 55 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.63 0.00 -2.63 1.61 1.13 -1.21 -3.96 117.38 109.69 2k43 n GLN 56 Ca -0.04 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.61 2k43 n GLN 56 Cb 0.63 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.99 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 -0.79 2.66 -2.36 1.08 9.36 -0.62 -2.56 117.16 123.92 2k43 n TYR 57 Ca 0.00 -2.59 -0.42 0.00 3.32 0.00 0.00 57.90 58.20 2k43 n TYR 57 Cb 0.00 -1.29 -0.03 0.00 -0.63 0.00 0.00 39.34 37.40 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 -3.76 4.27 -0.20 2.98 0.20 -1.26 -3.23 118.68 117.68 2k43 s LEU 58 Ca 0.39 1.90 -0.04 0.00 0.69 0.00 0.00 54.13 57.07 2k43 s LEU 58 Cb 0.16 -3.55 0.07 0.00 -0.43 0.00 0.00 46.19 42.44 2k43 s LEU 58 CO -0.08 -0.68 0.08 0.00 -0.29 0.00 0.00 176.35 175.38 2k43 s ALA 59 N 2.65 0.63 -0.20 5.97 0.00 -0.55 -2.58 121.76 127.69 2k43 s ALA 59 Ca 0.59 -0.54 -0.26 0.00 0.00 0.00 0.00 51.96 51.74 2k43 s ALA 59 Cb -0.26 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2k43 s ALA 59 CO 0.22 -1.25 0.89 -1.64 0.00 0.00 0.00 175.76 173.98 2k43 s MET 60 N 2.04 4.27 -0.30 0.00 -1.94 -1.23 -1.89 119.30 120.24 2k43 s MET 60 Ca 0.02 1.09 -0.08 0.00 -1.71 0.00 0.00 55.69 55.01 2k43 s MET 60 Cb -0.16 -3.61 -0.00 0.00 2.01 0.00 0.00 34.83 33.07 2k43 s MET 60 CO -0.13 -0.44 0.12 0.34 -0.01 0.00 0.00 175.02 174.90 2k43 s ASP 61 N 1.22 5.34 0.00 3.03 -1.08 -0.98 -4.51 116.67 119.68 2k43 s ASP 61 Ca 0.39 -0.57 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 2k43 s ASP 61 Cb -0.16 -1.95 0.00 0.00 -1.46 0.00 0.00 42.92 39.35 2k43 s ASP 61 CO 0.10 -0.18 0.00 0.41 0.52 0.00 0.00 175.17 176.02 2k43 n THR 62 N 4.93 0.00 0.00 1.71 -1.04 -1.26 -2.47 114.28 116.15 2k43 n THR 62 Ca -0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2k43 n THR 62 Cb 0.49 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.00 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 2.04 0.00 -0.10 8.00 -0.08 -1.26 -4.71 116.55 120.43 2k43 n ASP 63 Ca 0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 54.79 53.11 2k43 n ASP 63 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 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 -0.30 3.28 0.27 0.00 -1.03 -4.12 105.19 103.29 2k43 n GLY 64 Ca 0.00 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 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 -6.54 2.12 -0.25 0.99 2.01 -1.25 0.87 118.68 116.63 2k43 s LEU 65 Ca -0.27 -0.49 -0.01 0.00 0.01 0.00 0.00 54.13 53.36 2k43 s LEU 65 Cb 0.09 -1.39 0.03 0.00 0.01 0.00 0.00 46.19 44.93 2k43 s LEU 65 CO 0.42 0.25 -0.06 -0.76 1.01 0.00 0.00 176.35 177.20 2k43 s LEU 66 N -0.20 3.19 0.07 1.79 1.43 -1.14 -2.33 118.68 121.49 2k43 s LEU 66 Ca -0.02 -0.89 0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2k43 s LEU 66 Cb -0.13 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 2k43 s LEU 66 CO 0.03 -0.13 -0.18 -0.72 0.23 0.00 0.00 176.35 175.59 2k43 s TYR 67 N 1.31 1.55 0.04 0.29 1.13 -0.80 -4.57 117.35 116.31 2k43 s TYR 67 Ca -0.00 -0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 54.98 2k43 s TYR 67 Cb -0.17 -0.88 0.09 0.00 -1.10 0.00 0.00 41.96 39.90 2k43 s TYR 67 CO -0.05 0.11 0.89 0.20 -2.51 0.00 0.00 175.55 174.19 2k43 s GLY 68 N -1.55 -0.42 0.38 5.49 0.00 -1.24 -1.48 107.32 108.50 2k43 s GLY 68 Ca 0.04 0.78 0.00 0.00 0.00 0.00 0.00 44.72 45.53 2k43 s GLY 68 CO 0.03 0.25 0.00 1.44 0.00 0.00 0.00 173.10 174.81 2k43 n SER 69 N -0.30 -1.97 -0.06 1.64 7.64 -1.20 -2.65 113.62 116.72 2k43 n SER 69 Ca -0.09 0.69 -0.20 0.00 1.01 0.00 0.00 58.87 60.28 2k43 n SER 69 Cb 0.62 1.97 -0.13 0.00 -1.01 0.00 0.00 64.21 65.66 2k43 n SER 69 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 2k43 h GLN 70 N 0.00 0.08 -4.40 1.43 3.07 -1.85 -1.65 115.11 111.79 2k43 h GLN 70 Ca 0.00 -0.13 -0.33 0.00 0.09 0.00 0.00 58.65 58.28 2k43 h GLN 70 Cb 0.00 0.05 -0.27 0.00 0.08 0.00 0.00 27.48 27.34 2k43 h GLN 70 CO 0.00 1.06 -0.75 0.99 0.09 0.00 0.00 178.83 180.22 2k43 s THR 71 N -2.37 0.47 -0.40 1.86 2.01 -1.25 -4.39 115.64 111.57 2k43 s THR 71 Ca -0.24 -0.37 -0.08 0.00 0.31 0.00 0.00 61.69 61.31 2k43 s THR 71 Cb 0.04 -0.42 0.07 0.00 0.01 0.00 0.00 72.50 72.20 2k43 s THR 71 CO 0.67 0.05 0.22 -2.16 -0.69 0.00 0.00 174.62 172.71 2k43 s PRO 72 N -0.35 2.56 0.70 4.92 0.04 -1.06 -3.70 135.00 138.11 2k43 s PRO 72 Ca 0.00 -1.41 0.01 0.00 0.04 0.00 0.00 61.00 59.64 2k43 s PRO 72 Cb -0.03 -3.68 0.12 0.00 0.04 0.00 0.00 34.50 30.94 2k43 s PRO 72 CO -0.00 -0.89 0.96 1.21 0.04 0.00 0.00 177.00 178.32 2k43 s ASN 73 N 1.91 4.45 -0.58 6.66 3.84 -1.26 -4.94 114.94 125.02 2k43 s ASN 73 Ca 0.02 -0.46 -0.13 0.00 0.21 0.00 0.00 52.86 52.50 2k43 s ASN 73 Cb -0.22 0.06 0.15 0.00 -0.55 0.00 0.00 41.25 40.69 2k43 s ASN 73 CO 0.02 -1.79 0.51 -1.83 -2.79 0.00 0.00 177.10 171.21 2k43 s GLU 74 N -5.07 2.94 0.00 0.43 -1.05 -1.26 -1.82 118.70 112.87 2k43 s GLU 74 Ca 0.66 -1.92 0.00 0.00 -0.15 0.00 0.00 54.97 53.56 2k43 s GLU 74 Cb -0.05 -4.19 0.00 0.00 -0.44 0.00 0.00 34.13 29.45 2k43 s GLU 74 CO 0.43 -1.28 0.00 0.39 0.95 0.00 0.00 175.26 175.76 2k43 n GLU 75 N 4.80 2.81 0.27 -4.83 1.02 -1.26 -4.84 120.64 118.61 2k43 n GLU 75 Ca -0.06 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.24 2k43 n GLU 75 Cb 0.41 -0.30 0.68 0.00 -0.02 0.00 0.00 31.44 32.21 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 -6.43 4.54 0.19 0.00 0.05 -1.26 -4.35 118.68 111.41 2k43 s LEU 77 Ca 0.00 2.01 0.09 0.00 0.05 0.00 0.00 54.13 56.29 2k43 s LEU 77 Cb 0.10 -3.61 -0.04 0.00 -2.05 0.00 0.00 46.19 40.59 2k43 s LEU 77 CO 0.56 -0.07 -0.19 -0.36 -0.55 0.00 0.00 176.35 175.74 2k43 s PHE 78 N -0.57 1.95 -0.03 3.48 0.08 -0.85 -3.22 117.98 118.81 2k43 s PHE 78 Ca 0.46 -0.45 -0.17 0.00 0.12 0.00 0.00 56.93 56.90 2k43 s PHE 78 Cb -0.28 -0.94 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 2k43 s PHE 78 CO 0.34 0.41 0.45 -1.17 -0.10 0.00 0.00 175.22 175.15 2k43 s LEU 79 N -2.87 4.41 -0.20 -0.37 2.96 0.14 -0.93 118.68 121.82 2k43 s LEU 79 Ca 0.19 0.94 -0.14 0.00 -0.22 0.00 0.00 54.13 54.90 2k43 s LEU 79 Cb -0.05 -2.66 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 2k43 s LEU 79 CO 0.08 0.20 0.31 -0.70 -1.32 0.00 0.00 176.35 174.93 2k43 s GLU 80 N -0.45 4.18 -0.06 1.98 -6.30 -1.01 -0.72 118.70 116.30 2k43 s GLU 80 Ca 0.25 0.06 0.03 0.00 -2.50 0.00 0.00 54.97 52.81 2k43 s GLU 80 Cb -0.16 -3.50 0.01 0.00 0.00 0.00 0.00 34.13 30.47 2k43 s GLU 80 CO 0.13 0.06 -0.13 0.50 0.02 0.00 0.00 175.26 175.84 2k43 s ARG 81 N 1.01 1.75 -0.18 4.30 6.06 -0.62 -4.99 118.95 126.28 2k43 s ARG 81 Ca 0.16 -0.45 -0.16 0.00 -2.50 0.00 0.00 55.73 52.78 2k43 s ARG 81 Cb -0.14 -1.44 -0.04 0.00 0.06 0.00 0.00 34.95 33.39 2k43 s ARG 81 CO 0.06 0.06 0.37 -0.51 -2.50 0.00 0.00 175.30 172.78 2k43 s LEU 82 N 0.58 4.20 -0.02 -0.88 1.43 -1.26 0.04 118.68 122.76 2k43 s LEU 82 Ca -0.14 0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 53.37 2k43 s LEU 82 Cb -0.15 -2.49 -0.05 0.00 0.03 0.00 0.00 46.19 43.52 2k43 s LEU 82 CO 0.04 -0.01 0.38 -0.70 0.23 0.00 0.00 176.35 176.28 2k43 s GLU 83 N 0.96 3.90 0.00 1.70 -6.30 -0.18 -4.90 118.70 113.88 2k43 s GLU 83 Ca 0.19 0.35 0.18 0.00 -2.50 0.00 0.00 54.97 53.19 2k43 s GLU 83 Cb -0.14 -3.23 0.53 0.00 0.00 0.00 0.00 34.13 31.28 2k43 s GLU 83 CO 0.07 0.66 1.43 0.39 0.02 0.00 0.00 175.26 177.83 2k43 n GLU 84 N 1.97 2.06 -1.11 4.30 1.02 -1.26 -2.37 120.64 125.26 2k43 n GLU 84 Ca -0.14 -1.62 -0.26 0.00 -0.02 0.00 0.00 57.16 55.12 2k43 n GLU 84 Cb 0.53 -1.41 0.07 0.00 -0.02 0.00 0.00 31.44 30.61 2k43 n GLU 84 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k43 n ASN 85 N 0.82 6.87 -3.83 1.62 5.15 -1.26 -4.82 115.26 119.81 2k43 n ASN 85 Ca 0.17 -3.43 -0.29 0.00 -0.60 0.00 0.00 54.58 50.43 2k43 n ASN 85 Cb 0.42 -1.00 0.04 0.00 -0.53 0.00 0.00 39.78 38.71 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2k43 n HIS 86 N -0.35 -2.43 -4.41 1.20 8.25 -1.20 -5.00 115.22 111.29 2k43 n HIS 86 Ca 0.47 0.92 -0.22 0.00 -0.26 0.00 0.00 57.72 58.63 2k43 n HIS 86 Cb 0.68 -4.21 -0.10 0.00 1.12 0.00 0.00 29.99 27.48 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 -3.29 2.05 0.12 4.41 2.02 -1.00 -4.89 117.35 116.77 2k43 s TYR 87 Ca 0.65 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.96 2k43 s TYR 87 Cb -0.32 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.27 2k43 s TYR 87 CO 0.80 0.53 0.11 -0.80 -1.57 0.00 0.00 175.55 174.62 2k43 s ASN 88 N -3.22 5.54 0.07 2.29 0.02 0.51 -1.01 114.94 119.13 2k43 s ASN 88 Ca 0.24 -0.07 0.07 0.00 -1.02 0.00 0.00 52.86 52.09 2k43 s ASN 88 Cb -0.04 -1.47 -0.03 0.00 0.02 0.00 0.00 41.25 39.73 2k43 s ASN 88 CO 0.11 0.12 -0.20 -0.89 0.02 0.00 0.00 177.10 176.26 2k43 s THR 89 N -1.58 1.60 -0.07 1.60 2.01 0.11 -1.39 115.64 117.91 2k43 s THR 89 Ca 0.30 -1.31 0.03 0.00 0.31 0.00 0.00 61.69 61.02 2k43 s THR 89 Cb -0.11 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.98 2k43 s THR 89 CO 0.23 0.07 -0.16 -0.31 -0.69 0.00 0.00 174.62 173.75 2k43 s TYR 90 N -0.96 1.79 0.03 4.92 2.02 -1.26 -1.59 117.35 122.29 2k43 s TYR 90 Ca 0.06 -0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 56.08 2k43 s TYR 90 Cb -0.09 -1.25 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 2k43 s TYR 90 CO 0.03 -0.30 0.18 -1.50 -1.57 0.00 0.00 175.55 172.38 2k43 s ILE 91 N 0.50 5.29 -0.49 2.71 2.07 0.10 -0.76 121.20 130.62 2k43 s ILE 91 Ca -0.14 -0.33 -0.23 0.00 -1.41 0.00 0.00 60.65 58.54 2k43 s ILE 91 Cb -0.16 -3.52 0.03 0.00 0.13 0.00 0.00 42.46 38.94 2k43 s ILE 91 CO 0.05 0.23 0.82 -0.94 -1.91 0.00 0.00 174.94 173.19 2k43 s SER 92 N -2.22 6.37 0.00 4.50 1.04 -0.99 -0.68 113.70 121.72 2k43 s SER 92 Ca 0.31 -0.29 0.16 0.00 0.48 0.00 0.00 55.95 56.61 2k43 s SER 92 Cb -0.13 -2.39 0.82 0.00 0.10 0.00 0.00 66.02 64.42 2k43 s SER 92 CO 0.23 -1.02 1.47 1.17 0.98 0.00 0.00 173.24 176.07 2k43 n LYS 93 N 6.91 0.22 0.00 4.02 4.81 -1.20 0.68 118.16 133.61 2k43 n LYS 93 Ca 0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.59 2k43 n LYS 93 Cb 0.48 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.03 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2k43 n LYS 94 N -1.29 0.00 -1.33 1.64 3.00 -1.26 -3.35 118.16 115.57 2k43 n LYS 94 Ca 0.08 0.35 -0.28 0.00 -0.00 0.00 0.00 58.31 58.45 2k43 n LYS 94 Cb 0.13 -1.32 0.03 0.00 0.00 0.00 0.00 35.03 33.87 2k43 n LYS 94 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2k43 n HIS 95 N -1.54 2.30 -0.05 5.64 8.25 -0.84 -4.73 115.22 124.24 2k43 n HIS 95 Ca 0.00 -2.34 -0.07 0.00 -0.26 0.00 0.00 57.72 55.04 2k43 n HIS 95 Cb 0.00 -1.24 -0.01 0.00 1.12 0.00 0.00 29.99 29.86 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k43 h ALA 96 N 2.23 0.08 0.00 -1.41 0.00 0.25 -0.59 119.26 119.82 2k43 h ALA 96 Ca 0.46 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 2k43 h ALA 96 Cb 0.69 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2k43 h ALA 96 CO 1.15 -0.53 -0.04 1.49 0.00 0.00 0.00 179.25 181.32 2k43 h GLU 97 N -0.09 0.00 -0.02 0.00 4.81 -1.85 -1.35 114.58 116.09 2k43 h GLU 97 Ca 0.13 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2k43 h GLU 97 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2k43 h GLU 97 CO -0.31 0.04 -0.04 1.63 -0.73 0.00 0.00 179.01 179.60 2k43 n LYS 98 N -3.24 1.77 -1.01 1.92 4.01 -0.30 -4.94 118.16 116.37 2k43 n LYS 98 Ca -0.01 -1.21 -0.00 0.00 -0.51 0.00 0.00 58.31 56.58 2k43 n LYS 98 Cb 0.23 -1.47 -0.00 0.00 -0.51 0.00 0.00 35.03 33.27 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 0.44 -3.04 -4.78 4.39 5.15 -0.51 -5.01 115.26 111.91 2k43 n ASN 99 Ca 0.16 0.01 -0.33 0.00 -0.60 0.00 0.00 54.58 53.82 2k43 n ASN 99 Cb 0.43 -0.56 0.04 0.00 -0.53 0.00 0.00 39.78 39.17 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 -2.01 2.68 0.12 1.20 0.52 -1.12 -4.92 118.94 115.42 2k43 s TRP 100 Ca 0.00 1.54 0.07 0.00 0.02 0.00 0.00 56.10 57.74 2k43 s TRP 100 Cb 0.00 -3.13 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2k43 s TRP 100 CO 0.00 -1.61 -0.10 -0.06 0.02 0.00 0.00 176.95 175.20 2k43 s PHE 101 N -2.40 2.72 -0.33 -1.98 0.40 -1.26 -2.34 117.98 112.78 2k43 s PHE 101 Ca 0.66 -0.17 -0.24 0.00 -0.60 0.00 0.00 56.93 56.58 2k43 s PHE 101 Cb -0.20 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 41.94 2k43 s PHE 101 CO 0.42 0.44 0.82 0.08 0.70 0.00 0.00 175.22 177.68 2k43 s VAL 102 N -1.31 4.73 0.07 -0.44 1.01 0.06 -4.53 120.40 120.00 2k43 s VAL 102 Ca 0.22 1.11 0.03 0.00 0.00 0.00 0.00 61.98 63.34 2k43 s VAL 102 Cb -0.11 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.04 2k43 s VAL 102 CO 0.14 -0.36 -0.09 -0.83 0.00 0.00 0.00 175.10 173.97 2k43 s GLY 103 N 1.73 0.70 0.40 4.51 0.00 -1.26 -4.58 107.32 108.81 2k43 s GLY 103 Ca 0.33 -1.05 0.04 0.00 0.00 0.00 0.00 44.72 44.05 2k43 s GLY 103 CO 0.15 -1.12 0.14 0.48 0.00 0.00 0.00 173.10 172.75 2k43 s LEU 104 N -2.19 1.97 -0.34 0.66 0.05 -1.13 -0.97 118.68 116.73 2k43 s LEU 104 Ca 0.00 -1.68 -0.00 0.00 0.05 0.00 0.00 54.13 52.50 2k43 s LEU 104 Cb -0.04 -0.05 0.11 0.00 -2.05 0.00 0.00 46.19 44.16 2k43 s LEU 104 CO -0.01 -0.94 0.13 -0.75 -0.55 0.00 0.00 176.35 174.23 2k43 s LYS 105 N -3.69 0.82 0.48 1.48 2.36 -0.34 -4.65 119.74 116.19 2k43 s LYS 105 Ca 0.25 -1.27 0.27 0.00 -2.55 0.00 0.00 55.97 52.67 2k43 s LYS 105 Cb 0.03 -2.03 1.02 0.00 -1.05 0.00 0.00 37.83 35.80 2k43 s LYS 105 CO 0.16 -1.03 1.86 1.57 1.55 0.00 0.00 175.35 179.45 2k43 h LYS 106 N 7.77 0.00 0.00 4.03 2.10 -1.72 1.42 116.57 130.18 2k43 h LYS 106 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2k43 h LYS 106 Cb 1.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.33 2k43 h LYS 106 CO 0.46 0.14 0.00 -1.71 -2.00 0.00 0.00 179.45 176.34 2k43 n ASN 107 N -3.27 0.04 0.00 7.07 5.15 -1.26 -1.82 115.26 121.17 2k43 n ASN 107 Ca 0.01 0.51 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 2k43 n ASN 107 Cb 0.40 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.13 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k43 n GLY 108 N -0.12 0.33 3.42 8.20 0.00 0.66 -4.59 105.19 113.09 2k43 n GLY 108 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 2k43 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k43 s SER 109 N 1.00 -0.49 -0.64 1.61 0.15 0.46 -1.03 113.70 114.76 2k43 s SER 109 Ca 0.00 0.35 -0.20 0.00 0.70 0.00 0.00 55.95 56.80 2k43 s SER 109 Cb 0.00 0.49 0.10 0.00 -1.71 0.00 0.00 66.02 64.90 2k43 s SER 109 CO 0.00 -0.65 0.80 0.00 1.20 0.00 0.00 173.24 174.59 2k43 s LYS 111 N 2.95 0.22 -0.32 0.00 0.00 -1.22 -2.91 119.74 118.46 2k43 s LYS 111 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 55.97 55.97 2k43 s LYS 111 Cb -0.21 -1.84 0.13 0.00 0.00 0.00 0.00 37.83 35.91 2k43 s LYS 111 CO 0.06 -0.64 0.22 1.03 0.00 0.00 0.00 175.35 176.01 2k43 s ARG 112 N 2.06 0.40 -0.08 1.78 1.81 0.08 -4.48 118.95 120.53 2k43 s ARG 112 Ca 0.01 -0.83 -0.06 0.00 -1.72 0.00 0.00 55.73 53.14 2k43 s ARG 112 Cb -0.16 -1.09 -0.02 0.00 -0.45 0.00 0.00 34.95 33.23 2k43 s ARG 112 CO -0.08 -1.12 -0.11 0.41 -0.68 0.00 0.00 175.30 173.72 2k43 n GLY 113 N 4.66 -0.70 0.00 -3.53 0.00 0.25 -4.02 105.19 101.85 2k43 n GLY 113 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2k43 n GLY 113 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k43 n PRO 114 N -3.47 0.10 0.00 1.61 -0.02 -1.26 -2.11 135.00 129.85 2k43 n PRO 114 Ca -0.04 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2k43 n PRO 114 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2k43 n PRO 114 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2k43 n ARG 115 N -1.30 3.75 -2.31 -0.52 3.00 -1.26 -4.97 116.66 113.06 2k43 n ARG 115 Ca 0.04 -0.17 -0.41 0.00 -0.01 0.00 0.00 57.85 57.29 2k43 n ARG 115 Cb 0.06 -0.65 -0.03 0.00 0.00 0.00 0.00 32.46 31.84 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 -0.59 3.68 -5.00 0.55 -4.23 -0.90 -3.64 115.64 105.52 2k43 s THR 116 Ca 0.00 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2k43 s THR 116 Cb 0.00 -4.32 0.00 0.00 1.34 0.00 0.00 72.50 69.52 2k43 s THR 116 CO 0.00 -1.11 0.00 0.00 -0.54 0.00 0.00 174.62 172.97 2k43 n HIS 117 N 10.18 0.00 -2.75 3.99 1.44 -1.26 -4.08 115.22 122.74 2k43 n HIS 117 Ca 0.14 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.42 2k43 n HIS 117 Cb 0.49 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.60 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k43 s TYR 118 N -2.03 3.06 -0.12 -1.40 5.04 -1.26 -3.92 117.35 116.72 2k43 s TYR 118 Ca 0.00 -1.71 0.03 0.00 -2.44 0.00 0.00 57.07 52.95 2k43 s TYR 118 Cb 0.00 -4.53 -0.09 0.00 0.35 0.00 0.00 41.96 37.68 2k43 s TYR 118 CO 0.00 -1.63 -0.08 0.41 -1.34 0.00 0.00 175.55 172.91 2k43 n GLY 119 N 5.09 -0.24 2.97 8.97 0.00 -1.24 -5.07 105.19 115.67 2k43 n GLY 119 Ca 0.40 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.25 0.29 -0.02 1.61 -1.52 -1.25 -5.02 119.66 111.50 2k43 s GLN 120 Ca -0.14 -0.56 0.05 0.00 -1.95 0.00 0.00 55.36 52.76 2k43 s GLN 120 Cb 0.04 0.10 0.18 0.00 -0.22 0.00 0.00 33.01 33.12 2k43 s GLN 120 CO 0.32 -0.05 1.05 1.63 -0.25 0.00 0.00 175.29 177.99 2k43 n LYS 121 N 1.72 1.62 -0.02 2.91 5.02 -1.26 -3.14 118.16 125.00 2k43 n LYS 121 Ca -0.23 -0.73 0.12 0.00 -2.02 0.00 0.00 58.31 55.45 2k43 n LYS 121 Cb 0.55 -1.31 0.60 0.00 -0.02 0.00 0.00 35.03 34.85 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k43 n ALA 122 N 0.09 2.60 1.19 7.82 0.00 -1.26 -2.24 120.51 128.71 2k43 n ALA 122 Ca 0.07 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.31 2k43 n ALA 122 Cb 0.26 -1.27 0.35 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.32 0.09 -3.37 0.00 -0.00 -1.19 -2.83 119.36 111.75 2k43 n ILE 123 Ca 0.18 -0.39 -0.45 0.00 -0.00 0.00 0.00 62.75 62.09 2k43 n ILE 123 Cb 0.21 0.81 -0.06 0.00 -0.00 0.00 0.00 39.64 40.59 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 -0.00 0.00 0.00 176.55 175.79 2k43 s LEU 124 N -1.87 5.88 0.09 1.39 1.43 -0.95 -4.62 118.68 120.04 2k43 s LEU 124 Ca 0.34 -1.58 -0.04 0.00 -1.03 0.00 0.00 54.13 51.82 2k43 s LEU 124 Cb 0.20 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 2k43 s LEU 124 CO 0.31 -0.75 0.32 -0.36 0.23 0.00 0.00 176.35 176.10 2k43 s PHE 125 N 1.60 3.51 -0.06 0.29 0.40 -0.48 -4.49 117.98 118.74 2k43 s PHE 125 Ca 0.04 0.50 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 2k43 s PHE 125 Cb -0.27 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.32 2k43 s PHE 125 CO 0.04 0.51 -0.12 -1.17 0.70 0.00 0.00 175.22 175.18 2k43 s LEU 126 N -2.42 1.63 -0.33 -0.37 2.96 -0.36 -0.36 118.68 119.43 2k43 s LEU 126 Ca 0.37 -0.29 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 2k43 s LEU 126 Cb -0.13 -0.81 0.00 0.00 0.50 0.00 0.00 46.19 45.76 2k43 s LEU 126 CO 0.23 0.03 0.17 -2.16 -1.32 0.00 0.00 176.35 173.30 2k43 s PRO 127 N 0.68 3.19 -0.26 0.98 0.04 -1.26 -2.23 135.00 136.14 2k43 s PRO 127 Ca -0.14 -0.83 -0.00 0.00 0.04 0.00 0.00 61.00 60.07 2k43 s PRO 127 Cb -0.16 -3.62 0.04 0.00 0.04 0.00 0.00 34.50 30.81 2k43 s PRO 127 CO 0.03 -0.50 -0.07 -0.51 0.04 0.00 0.00 177.00 176.00 2k43 s LEU 128 N 1.60 3.33 0.25 -3.56 1.43 -1.19 -4.95 118.68 115.59 2k43 s LEU 128 Ca 0.04 -1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 51.86 2k43 s LEU 128 Cb -0.18 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 2k43 s LEU 128 CO 0.06 -0.16 0.77 -2.16 0.23 0.00 0.00 176.35 175.09 2k43 s PRO 129 N 1.25 4.31 0.50 1.29 0.04 -1.26 0.07 135.00 141.19 2k43 s PRO 129 Ca -0.03 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 61.78 2k43 s PRO 129 Cb -0.18 -2.84 -0.08 0.00 0.04 0.00 0.00 34.50 31.44 2k43 s PRO 129 CO -0.04 0.36 1.01 0.08 0.04 0.00 0.00 177.00 178.44 2k43 s VAL 130 N -1.57 4.12 0.16 -0.36 1.01 -1.22 -4.83 120.40 117.72 2k43 s VAL 130 Ca 0.45 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2k43 s VAL 130 Cb -0.17 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.60 2k43 s VAL 130 CO 0.21 -0.41 1.18 -0.44 0.00 0.00 0.00 175.10 175.64 2k43 s SER 131 N -2.43 7.12 -0.60 3.32 0.01 -1.26 -3.10 113.70 116.77 2k43 s SER 131 Ca 0.63 2.17 -0.20 0.00 1.31 0.00 0.00 55.95 59.86 2k43 s SER 131 Cb -0.13 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.58 2k43 s SER 131 CO 0.24 -0.36 0.77 -0.94 0.41 0.00 0.00 173.24 173.36 2k43 s SER 132 N 0.23 6.19 0.00 2.44 1.04 -1.26 -4.91 113.70 117.43 2k43 s SER 132 Ca 0.53 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2k43 s SER 132 Cb -0.31 -2.34 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2k43 s SER 132 CO 0.35 -1.18 0.39 -0.67 0.98 0.00 0.00 173.24 173.11