#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 2.53 0.03 2.98 2.47 -1.26 -4.91 119.74 121.58 2k43 s LYS 2 Ca 0.00 -1.52 -0.17 0.00 -1.56 0.00 0.00 55.97 52.72 2k43 s LYS 2 Cb 0.00 -2.35 -0.25 0.00 -1.46 0.00 0.00 37.83 33.77 2k43 s LYS 2 CO 0.00 -0.11 1.11 0.87 0.16 0.00 0.00 175.35 177.37 2k43 h LYS 3 N 1.14 0.53 -2.16 4.03 1.79 -1.98 -3.16 116.57 116.76 2k43 h LYS 3 Ca -0.42 -0.62 -0.30 0.00 -2.18 0.00 0.00 60.65 57.13 2k43 h LYS 3 Cb 1.26 0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 32.10 2k43 h LYS 3 CO 0.59 1.24 0.34 -2.30 -1.08 0.00 0.00 179.45 178.24 2k43 n PRO 4 N -4.02 0.00 -1.87 3.15 -0.02 -1.26 -4.17 135.00 126.80 2k43 n PRO 4 Ca -0.12 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.07 2k43 n PRO 4 Cb 0.81 -0.54 0.08 0.00 -0.02 0.00 0.00 33.50 33.83 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2k43 s LYS 5 N 1.50 2.24 -0.08 -0.52 3.01 1.24 -2.42 119.74 124.70 2k43 s LYS 5 Ca 0.40 0.25 0.05 0.00 -1.01 0.00 0.00 55.97 55.66 2k43 s LYS 5 Cb -0.54 -1.97 -0.01 0.00 -1.01 0.00 0.00 37.83 34.30 2k43 s LYS 5 CO 0.27 -1.43 -0.24 -1.17 0.51 0.00 0.00 175.35 173.30 2k43 s LEU 6 N -5.53 2.13 -0.77 3.17 0.20 0.19 -1.15 118.68 116.92 2k43 s LEU 6 Ca 0.61 -0.51 -0.17 0.00 0.69 0.00 0.00 54.13 54.74 2k43 s LEU 6 Cb -0.11 -1.41 0.15 0.00 -0.43 0.00 0.00 46.19 44.39 2k43 s LEU 6 CO 0.50 0.21 0.86 -0.22 -0.29 0.00 0.00 176.35 177.41 2k43 s LEU 7 N 0.06 5.70 -0.54 -0.68 2.96 -1.26 -2.29 118.68 122.62 2k43 s LEU 7 Ca -0.10 -2.01 -0.04 0.00 -0.22 0.00 0.00 54.13 51.77 2k43 s LEU 7 Cb -0.16 -2.31 0.14 0.00 0.50 0.00 0.00 46.19 44.37 2k43 s LEU 7 CO 0.06 -0.94 0.35 -0.47 -1.32 0.00 0.00 176.35 174.03 2k43 s TYR 8 N 1.93 3.49 -0.55 5.38 5.04 -0.97 -2.74 117.35 128.92 2k43 s TYR 8 Ca 0.20 -2.52 0.06 0.00 -2.44 0.00 0.00 57.07 52.37 2k43 s TYR 8 Cb -0.14 -3.25 0.21 0.00 0.35 0.00 0.00 41.96 39.13 2k43 s TYR 8 CO -0.03 -0.91 0.53 0.00 -1.34 0.00 0.00 175.55 173.80 2k43 s SER 10 N -1.31 -0.11 -0.93 0.00 0.15 -1.25 -3.87 113.70 106.38 2k43 s SER 10 Ca 0.33 -0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.72 2k43 s SER 10 Cb 0.07 0.29 0.10 0.00 -1.71 0.00 0.00 66.02 64.76 2k43 s SER 10 CO -0.12 -0.45 1.22 0.21 1.20 0.00 0.00 173.24 175.29 2k43 s ASN 11 N -1.47 6.53 0.00 5.45 3.84 -1.26 -4.31 114.94 123.73 2k43 s ASN 11 Ca -0.13 -1.71 0.00 0.00 0.21 0.00 0.00 52.86 51.23 2k43 s ASN 11 Cb -0.05 -2.46 0.00 0.00 -0.55 0.00 0.00 41.25 38.19 2k43 s ASN 11 CO 0.02 -1.26 0.00 0.61 -2.79 0.00 0.00 177.10 173.68 2k43 n GLY 12 N 5.92 -1.77 0.00 1.21 0.00 -1.26 -5.10 105.19 104.19 2k43 n GLY 12 Ca 0.24 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.77 -0.12 3.31 -0.02 0.00 -1.26 -5.19 105.19 101.12 2k43 n GLY 13 Ca 0.00 0.03 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 1.50 -0.06 1.61 3.76 -1.26 -4.69 115.29 116.14 2k43 s HIS 14 Ca 0.00 -1.29 -0.06 0.00 -0.15 0.00 0.00 55.06 53.56 2k43 s HIS 14 Cb 0.00 -0.83 0.02 0.00 1.11 0.00 0.00 32.58 32.88 2k43 s HIS 14 CO 0.00 -0.46 0.18 0.12 -0.85 0.00 0.00 174.74 173.73 2k43 s PHE 15 N -3.76 -0.19 0.22 1.40 5.36 -1.03 -4.45 117.98 115.53 2k43 s PHE 15 Ca 0.37 0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 56.51 2k43 s PHE 15 Cb 0.07 0.06 -0.09 0.00 -0.34 0.00 0.00 43.02 42.72 2k43 s PHE 15 CO 0.15 -0.10 1.02 -0.48 -1.46 0.00 0.00 175.22 174.35 2k43 s LEU 16 N 0.06 4.57 0.08 6.12 0.05 -1.11 0.65 118.68 129.11 2k43 s LEU 16 Ca -0.00 2.06 0.04 0.00 0.05 0.00 0.00 54.13 56.28 2k43 s LEU 16 Cb -0.01 -3.61 -0.03 0.00 -2.05 0.00 0.00 46.19 40.48 2k43 s LEU 16 CO 0.00 -0.03 -0.12 0.00 -0.55 0.00 0.00 176.35 175.65 2k43 s ARG 17 N -0.96 0.82 0.00 1.48 1.70 0.86 -4.71 118.95 118.15 2k43 s ARG 17 Ca 0.44 -1.03 -0.12 0.00 -0.47 0.00 0.00 55.73 54.55 2k43 s ARG 17 Cb -0.28 -0.69 -0.05 0.00 -0.57 0.00 0.00 34.95 33.35 2k43 s ARG 17 CO 0.35 0.14 0.36 0.96 -1.08 0.00 0.00 175.30 176.03 2k43 s ILE 18 N -1.74 5.12 0.18 4.99 -4.36 -1.25 -3.16 121.20 120.98 2k43 s ILE 18 Ca 0.01 0.64 0.05 0.00 -0.26 0.00 0.00 60.65 61.09 2k43 s ILE 18 Cb -0.07 -3.65 -0.05 0.00 1.25 0.00 0.00 42.46 39.94 2k43 s ILE 18 CO 0.02 0.51 -0.09 -1.48 0.24 0.00 0.00 174.94 174.13 2k43 s LEU 19 N -1.28 2.48 0.00 0.37 2.34 -1.25 -4.89 118.68 116.45 2k43 s LEU 19 Ca 0.25 -1.06 0.00 0.00 0.06 0.00 0.00 54.13 53.38 2k43 s LEU 19 Cb -0.15 -0.44 0.00 0.00 -0.56 0.00 0.00 46.19 45.04 2k43 s LEU 19 CO 0.13 -0.32 0.40 -2.65 -1.06 0.00 0.00 176.35 172.85 2k43 n PRO 20 N -0.30 0.56 -0.01 1.48 -0.02 -1.26 -1.64 135.00 133.81 2k43 n PRO 20 Ca -0.09 0.00 0.09 0.00 -2.02 0.00 0.00 63.50 61.49 2k43 n PRO 20 Cb 0.61 -1.16 -0.13 0.00 -0.02 0.00 0.00 33.50 32.80 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 -0.09 0.74 -0.06 2.55 -0.08 -1.26 -5.00 116.55 113.35 2k43 n ASP 21 Ca 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 2k43 n ASP 21 Cb 0.08 1.56 0.00 0.00 2.34 0.00 0.00 41.12 45.10 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k43 n GLY 22 N 1.43 1.05 3.58 0.27 0.00 -0.65 -4.99 105.19 105.87 2k43 n GLY 22 Ca -0.01 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.11 3.47 -0.44 2.61 2.01 -1.17 0.66 115.64 120.67 2k43 s THR 23 Ca 0.00 -1.06 -0.06 0.00 0.31 0.00 0.00 61.69 60.88 2k43 s THR 23 Cb 0.00 -2.57 0.11 0.00 0.01 0.00 0.00 72.50 70.05 2k43 s THR 23 CO 0.00 0.23 0.27 0.54 -0.69 0.00 0.00 174.62 174.98 2k43 s VAL 24 N -1.12 3.72 0.01 3.82 0.11 -1.11 -3.85 120.40 121.98 2k43 s VAL 24 Ca 0.20 -1.93 0.04 0.00 -2.93 0.00 0.00 61.98 57.35 2k43 s VAL 24 Cb -0.11 -3.50 -0.01 0.00 -1.53 0.00 0.00 36.38 31.22 2k43 s VAL 24 CO 0.11 -0.73 -0.11 1.51 -3.33 0.00 0.00 175.10 172.55 2k43 s ASP 25 N 2.23 1.30 -0.12 3.54 1.47 -1.19 0.68 116.67 124.58 2k43 s ASP 25 Ca 0.07 -0.29 -0.12 0.00 1.18 0.00 0.00 52.55 53.39 2k43 s ASP 25 Cb -0.24 -0.11 -0.05 0.00 -0.34 0.00 0.00 42.92 42.18 2k43 s ASP 25 CO -0.03 0.07 0.26 -0.83 0.68 0.00 0.00 175.17 175.32 2k43 s GLY 26 N -0.62 2.24 -0.04 2.12 0.00 0.69 -0.10 107.32 111.62 2k43 s GLY 26 Ca 0.02 -0.48 -0.13 0.00 0.00 0.00 0.00 44.72 44.13 2k43 s GLY 26 CO 0.00 0.09 0.29 -1.59 0.00 0.00 0.00 173.10 171.89 2k43 s THR 27 N -0.34 0.04 -0.42 0.90 2.01 0.21 -4.09 115.64 113.95 2k43 s THR 27 Ca 0.17 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 2k43 s THR 27 Cb -0.13 -0.54 0.05 0.00 0.01 0.00 0.00 72.50 71.88 2k43 s THR 27 CO 0.05 -0.20 0.29 -0.60 -0.69 0.00 0.00 174.62 173.47 2k43 s ARG 28 N -0.92 2.85 -0.27 4.92 3.52 -1.26 -2.47 118.95 125.32 2k43 s ARG 28 Ca -0.10 -1.23 -0.01 0.00 -0.13 0.00 0.00 55.73 54.27 2k43 s ARG 28 Cb -0.05 -3.91 0.14 0.00 -1.56 0.00 0.00 34.95 29.57 2k43 s ARG 28 CO 0.03 -0.86 0.33 -0.51 -0.81 0.00 0.00 175.30 173.48 2k43 s ASP 29 N 1.99 1.12 0.00 -2.12 1.01 -1.26 -4.97 116.67 112.44 2k43 s ASP 29 Ca 0.03 -0.45 0.25 0.00 0.71 0.00 0.00 52.55 53.09 2k43 s ASP 29 Cb -0.21 0.73 0.53 0.00 1.01 0.00 0.00 42.92 44.98 2k43 s ASP 29 CO 0.06 -0.36 1.43 -1.14 0.21 0.00 0.00 175.17 175.37 2k43 n ARG 30 N 5.33 0.29 0.00 8.23 0.00 -1.26 -3.02 116.66 126.23 2k43 n ARG 30 Ca -0.02 -0.17 0.11 0.00 -0.00 0.00 0.00 57.85 57.76 2k43 n ARG 30 Cb 0.48 -1.50 0.55 0.00 0.00 0.00 0.00 32.46 31.99 2k43 n ARG 30 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 2k43 n SER 31 N -1.20 0.00 -4.19 6.15 3.41 -1.26 -4.75 113.62 111.78 2k43 n SER 31 Ca 0.08 -0.01 -0.14 0.00 -0.26 0.00 0.00 58.87 58.53 2k43 n SER 31 Cb 0.34 -0.29 0.05 0.00 -0.26 0.00 0.00 64.21 64.05 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k43 n ASP 32 N -1.29 1.56 -1.94 4.04 2.03 -1.17 -5.04 116.55 114.74 2k43 n ASP 32 Ca 0.10 -2.14 -0.23 0.00 0.52 0.00 0.00 54.79 53.04 2k43 n ASP 32 Cb 0.18 -0.32 0.09 0.00 -0.72 0.00 0.00 41.12 40.34 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k43 n GLN 33 N -1.96 2.84 0.00 -0.67 10.64 -1.26 -4.52 117.38 122.45 2k43 n GLN 33 Ca 0.12 -3.61 0.00 0.00 -1.83 0.00 0.00 57.00 51.69 2k43 n GLN 33 Cb 0.45 -2.17 0.00 0.00 -0.86 0.00 0.00 30.24 27.65 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 -0.89 0.00 0.97 2.61 8.25 -1.26 -4.66 115.22 120.24 2k43 n HIS 34 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2k43 n HIS 34 Cb 0.91 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.27 0.00 -3.97 1.59 -0.00 -1.26 -3.96 119.36 111.49 2k43 n ILE 35 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 62.75 62.44 2k43 n ILE 35 Cb 0.06 -0.45 -0.15 0.00 -0.00 0.00 0.00 39.64 39.10 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 -1.04 1.41 0.18 6.28 0.00 -1.26 -4.69 119.66 120.54 2k43 s GLN 36 Ca 0.00 -1.82 0.10 0.00 -0.00 0.00 0.00 55.36 53.63 2k43 s GLN 36 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 33.01 29.94 2k43 s GLN 36 CO 0.00 -0.96 -0.15 -0.48 0.00 0.00 0.00 175.29 173.70 2k43 s LEU 37 N 0.90 2.77 -0.33 2.60 0.05 -0.30 -1.44 118.68 122.93 2k43 s LEU 37 Ca 0.11 -0.68 -0.04 0.00 0.05 0.00 0.00 54.13 53.57 2k43 s LEU 37 Cb -0.19 -1.48 0.05 0.00 -2.05 0.00 0.00 46.19 42.52 2k43 s LEU 37 CO -0.10 0.11 0.07 0.00 -0.55 0.00 0.00 176.35 175.88 2k43 s GLN 38 N -2.74 2.50 -0.47 1.48 -2.07 0.21 0.38 119.66 118.94 2k43 s GLN 38 Ca 0.23 -1.26 -0.01 0.00 -1.82 0.00 0.00 55.36 52.50 2k43 s GLN 38 Cb -0.09 -3.35 0.13 0.00 -1.09 0.00 0.00 33.01 28.61 2k43 s GLN 38 CO 0.13 -0.68 0.25 -1.17 -1.32 0.00 0.00 175.29 172.51 2k43 s LEU 39 N 1.32 5.05 0.43 2.60 0.20 -1.26 -0.96 118.68 126.07 2k43 s LEU 39 Ca -0.02 -2.42 0.07 0.00 0.69 0.00 0.00 54.13 52.44 2k43 s LEU 39 Cb -0.20 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2k43 s LEU 39 CO 0.01 -0.43 0.18 -0.55 -0.29 0.00 0.00 176.35 175.27 2k43 s SER 40 N 1.08 4.40 -0.18 3.68 0.15 -1.06 -4.95 113.70 116.82 2k43 s SER 40 Ca 0.12 -1.15 -0.03 0.00 0.70 0.00 0.00 55.95 55.59 2k43 s SER 40 Cb -0.22 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 63.78 2k43 s SER 40 CO -0.04 -0.63 -0.06 0.00 1.20 0.00 0.00 173.24 173.71 2k43 s ALA 41 N -2.64 2.82 0.02 5.45 0.00 -1.26 -0.56 121.76 125.58 2k43 s ALA 41 Ca 0.37 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.30 2k43 s ALA 41 Cb 0.03 -1.56 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2k43 s ALA 41 CO 0.21 -0.11 -0.04 -1.91 0.00 0.00 0.00 175.76 173.90 2k43 n GLU 42 N 4.19 0.07 -2.17 0.00 2.13 -0.42 -4.97 120.64 119.47 2k43 n GLU 42 Ca -0.18 0.03 -0.19 0.00 0.66 0.00 0.00 57.16 57.48 2k43 n GLU 42 Cb 0.52 -0.43 0.10 0.00 0.27 0.00 0.00 31.44 31.89 2k43 n GLU 42 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k43 n SER 43 N -3.14 1.05 -4.64 4.31 7.64 -1.24 -4.94 113.62 112.67 2k43 n SER 43 Ca -0.02 -1.90 -0.42 0.00 1.01 0.00 0.00 58.87 57.54 2k43 n SER 43 Cb 0.06 -0.53 -0.03 0.00 -1.01 0.00 0.00 64.21 62.70 2k43 n SER 43 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2k43 s VAL 44 N -2.48 3.06 0.00 0.44 -7.23 -1.26 -2.04 120.40 110.88 2k43 s VAL 44 Ca 0.54 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 2k43 s VAL 44 Cb -0.03 -3.05 0.00 0.00 0.56 0.00 0.00 36.38 33.86 2k43 s VAL 44 CO 0.36 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.74 2k43 n GLY 45 N 5.00 0.22 3.74 2.32 0.00 -1.26 -4.96 105.19 110.25 2k43 n GLY 45 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.10 3.07 0.01 1.61 2.02 -0.87 -1.15 118.70 122.30 2k43 s GLU 46 Ca 0.00 -0.40 0.08 0.00 0.02 0.00 0.00 54.97 54.68 2k43 s GLU 46 Cb 0.00 -2.87 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 2k43 s GLU 46 CO 0.00 0.70 -0.25 0.14 0.02 0.00 0.00 175.26 175.87 2k43 s VAL 47 N -1.01 2.24 -0.15 2.63 -7.23 -0.47 -1.30 120.40 115.11 2k43 s VAL 47 Ca 0.17 -1.22 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 2k43 s VAL 47 Cb -0.12 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.99 2k43 s VAL 47 CO 0.06 0.46 -0.21 -0.47 -0.31 0.00 0.00 175.10 174.63 2k43 s TYR 48 N -0.74 2.71 -0.54 2.82 6.14 0.28 -3.03 117.35 124.98 2k43 s TYR 48 Ca 0.11 -1.39 -0.17 0.00 0.64 0.00 0.00 57.07 56.27 2k43 s TYR 48 Cb -0.10 -1.85 0.11 0.00 0.42 0.00 0.00 41.96 40.55 2k43 s TYR 48 CO 0.01 -0.65 0.53 0.42 0.64 0.00 0.00 175.55 176.50 2k43 s ILE 49 N 0.93 5.13 0.14 3.14 1.01 -1.26 -2.56 121.20 127.73 2k43 s ILE 49 Ca -0.04 -1.30 0.10 0.00 0.00 0.00 0.00 60.65 59.41 2k43 s ILE 49 Cb -0.15 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 2k43 s ILE 49 CO -0.04 -0.87 -0.23 -0.54 0.00 0.00 0.00 174.94 173.26 2k43 s LYS 50 N 1.85 1.33 0.14 2.79 1.02 -0.13 -4.56 119.74 122.17 2k43 s LYS 50 Ca 0.05 -1.35 -0.24 0.00 0.02 0.00 0.00 55.97 54.45 2k43 s LYS 50 Cb -0.28 -1.67 -0.07 0.00 -0.52 0.00 0.00 37.83 35.29 2k43 s LYS 50 CO 0.05 0.38 0.74 -1.12 -0.92 0.00 0.00 175.35 174.47 2k43 s SER 51 N -2.24 7.31 0.00 2.83 0.01 -1.14 0.66 113.70 121.13 2k43 s SER 51 Ca 0.14 1.56 0.00 0.00 1.31 0.00 0.00 55.95 58.95 2k43 s SER 51 Cb -0.09 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k43 s SER 51 CO 0.06 0.20 0.00 0.41 0.41 0.00 0.00 173.24 174.32 2k43 n THR 52 N 1.76 0.00 -0.10 1.44 -1.04 -1.21 -4.63 114.28 110.50 2k43 n THR 52 Ca -0.06 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.72 2k43 n THR 52 Cb 0.49 -0.19 -0.12 0.00 -1.82 0.00 0.00 70.33 68.70 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 0.59 -0.51 -2.82 2.13 -1.26 -4.61 120.64 114.15 2k43 n GLU 53 Ca 0.00 0.52 0.06 0.00 0.66 0.00 0.00 57.16 58.40 2k43 n GLU 53 Cb 0.00 -1.72 0.20 0.00 0.27 0.00 0.00 31.44 30.18 2k43 n GLU 53 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k43 n THR 54 N -4.33 2.19 0.09 6.31 -2.24 -1.26 -4.93 114.28 110.12 2k43 n THR 54 Ca -0.34 -2.93 0.06 0.00 -2.27 0.00 0.00 64.05 58.57 2k43 n THR 54 Cb 0.73 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 2k43 n THR 54 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2k43 h GLY 55 N 0.81 0.00 0.00 3.38 0.00 -1.50 -3.40 103.07 102.36 2k43 h GLY 55 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k43 h GLY 55 CO 0.06 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.42 2k43 n GLN 56 N -2.87 0.00 -2.93 4.80 -0.06 -1.25 -4.26 117.38 110.80 2k43 n GLN 56 Ca -0.03 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.63 2k43 n GLN 56 Cb 0.69 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.85 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 2k43 n TYR 57 N -0.09 3.30 -2.25 3.69 9.36 -1.20 -2.86 117.16 127.11 2k43 n TYR 57 Ca 0.00 -3.35 -0.42 0.00 3.32 0.00 0.00 57.90 57.45 2k43 n TYR 57 Cb 0.00 -0.85 -0.03 0.00 -0.63 0.00 0.00 39.34 37.84 2k43 n TYR 57 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2k43 s LEU 58 N -3.49 4.33 -0.15 2.98 1.43 -1.26 -2.77 118.68 119.76 2k43 s LEU 58 Ca 0.42 2.13 -0.03 0.00 -1.03 0.00 0.00 54.13 55.61 2k43 s LEU 58 Cb 0.19 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.90 2k43 s LEU 58 CO -0.08 -0.67 0.06 0.00 0.23 0.00 0.00 176.35 175.89 2k43 s ALA 59 N 1.94 0.62 -0.20 4.21 0.00 -0.72 -2.57 121.76 125.03 2k43 s ALA 59 Ca 0.63 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.00 2k43 s ALA 59 Cb -0.32 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 21.80 2k43 s ALA 59 CO 0.27 -0.99 0.82 -1.64 0.00 0.00 0.00 175.76 174.23 2k43 s MET 60 N 2.03 4.25 -0.35 0.00 -1.94 -1.23 -2.00 119.30 120.06 2k43 s MET 60 Ca 0.02 0.97 -0.09 0.00 -1.71 0.00 0.00 55.69 54.88 2k43 s MET 60 Cb -0.15 -3.60 0.03 0.00 2.01 0.00 0.00 34.83 33.11 2k43 s MET 60 CO -0.07 -0.40 0.15 0.16 -0.01 0.00 0.00 175.02 174.85 2k43 s ASP 61 N 1.23 5.51 0.00 3.03 1.47 -1.05 -4.51 116.67 122.34 2k43 s ASP 61 Ca 0.37 -1.00 0.00 0.00 1.18 0.00 0.00 52.55 53.10 2k43 s ASP 61 Cb -0.16 -1.95 0.00 0.00 -0.34 0.00 0.00 42.92 40.47 2k43 s ASP 61 CO 0.10 -0.33 0.00 0.35 0.68 0.00 0.00 175.17 175.97 2k43 n THR 62 N 4.91 0.00 -0.57 2.11 -2.24 -1.26 -2.35 114.28 114.88 2k43 n THR 62 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2k43 n THR 62 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2k43 n ASP 63 N 0.00 -1.72 -0.08 3.42 2.03 -1.26 -4.82 116.55 114.12 2k43 n ASP 63 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 2k43 n ASP 63 Cb 0.00 -0.29 -0.13 0.00 -0.72 0.00 0.00 41.12 39.98 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k43 n GLY 64 N -2.57 -0.47 2.83 0.27 0.00 -0.99 -3.23 105.19 101.02 2k43 n GLY 64 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 2k43 n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k43 s LEU 65 N -6.66 1.52 -0.22 0.99 2.96 -1.25 -0.20 118.68 115.83 2k43 s LEU 65 Ca -0.29 0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2k43 s LEU 65 Cb 0.08 -0.06 0.03 0.00 0.50 0.00 0.00 46.19 46.74 2k43 s LEU 65 CO 0.68 -0.06 -0.14 -1.48 -1.32 0.00 0.00 176.35 174.02 2k43 s LEU 66 N 0.55 2.74 0.05 -0.68 2.34 -0.84 -2.54 118.68 120.31 2k43 s LEU 66 Ca -0.05 -0.91 0.07 0.00 0.06 0.00 0.00 54.13 53.31 2k43 s LEU 66 Cb -0.07 -1.54 -0.03 0.00 -0.56 0.00 0.00 46.19 43.99 2k43 s LEU 66 CO -0.01 -0.08 -0.21 -0.72 -1.06 0.00 0.00 176.35 174.27 2k43 s TYR 67 N 1.24 1.82 -0.17 3.48 1.13 -0.85 -4.36 117.35 119.65 2k43 s TYR 67 Ca -0.00 -0.38 -0.29 0.00 -1.41 0.00 0.00 57.07 54.99 2k43 s TYR 67 Cb -0.16 -1.08 0.12 0.00 -1.10 0.00 0.00 41.96 39.74 2k43 s TYR 67 CO -0.09 0.10 0.95 0.20 -2.51 0.00 0.00 175.55 174.21 2k43 s GLY 68 N -1.25 -0.30 0.11 5.49 0.00 0.21 -1.76 107.32 109.82 2k43 s GLY 68 Ca 0.07 2.06 0.00 0.00 0.00 0.00 0.00 44.72 46.85 2k43 s GLY 68 CO 0.02 1.20 0.00 -1.26 0.00 0.00 0.00 173.10 173.06 2k43 n SER 69 N 1.10 -0.60 -0.03 1.64 2.88 -1.11 -2.74 113.62 114.76 2k43 n SER 69 Ca -0.12 0.19 -0.19 0.00 -1.33 0.00 0.00 58.87 57.42 2k43 n SER 69 Cb 0.57 0.77 -0.13 0.00 -0.75 0.00 0.00 64.21 64.67 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 2k43 h GLN 70 N 0.00 0.13 -4.97 -1.46 7.50 -1.85 -3.18 115.11 111.29 2k43 h GLN 70 Ca 0.00 -0.23 -0.31 0.00 0.50 0.00 0.00 58.65 58.61 2k43 h GLN 70 Cb 0.00 0.08 -0.16 0.00 0.05 0.00 0.00 27.48 27.45 2k43 h GLN 70 CO 0.00 1.11 -0.72 0.95 -1.50 0.00 0.00 178.83 178.67 2k43 s THR 71 N -2.38 1.00 -0.40 -0.54 -4.23 -1.26 -4.73 115.64 103.09 2k43 s THR 71 Ca -0.21 -1.84 -0.05 0.00 -1.18 0.00 0.00 61.69 58.41 2k43 s THR 71 Cb 0.02 -1.59 0.10 0.00 1.34 0.00 0.00 72.50 72.37 2k43 s THR 71 CO 0.72 -0.67 0.21 -2.16 -0.54 0.00 0.00 174.62 172.17 2k43 s PRO 72 N -3.29 2.26 0.67 3.99 0.04 -1.26 -3.74 135.00 133.68 2k43 s PRO 72 Ca 0.11 -1.65 0.01 0.00 0.04 0.00 0.00 61.00 59.51 2k43 s PRO 72 Cb 0.00 -3.62 0.13 0.00 0.04 0.00 0.00 34.50 31.05 2k43 s PRO 72 CO -0.00 -1.00 0.92 0.09 0.04 0.00 0.00 177.00 177.05 2k43 n ASN 73 N 4.72 1.40 -4.26 6.66 3.02 -1.26 -4.95 115.26 120.58 2k43 n ASN 73 Ca -0.06 -2.14 -0.44 0.00 -0.03 0.00 0.00 54.58 51.91 2k43 n ASN 73 Cb 0.42 -0.58 -0.06 0.00 -0.61 0.00 0.00 39.78 38.95 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2k43 s GLU 74 N -4.90 2.82 0.00 3.52 -1.05 -1.26 -3.74 118.70 114.09 2k43 s GLU 74 Ca 0.62 -1.82 0.00 0.00 -0.15 0.00 0.00 54.97 53.62 2k43 s GLU 74 Cb -0.04 -4.14 0.00 0.00 -0.44 0.00 0.00 34.13 29.51 2k43 s GLU 74 CO 0.41 -1.27 0.00 0.39 0.95 0.00 0.00 175.26 175.74 2k43 n GLU 75 N 4.95 0.00 -0.03 -4.83 1.02 -1.26 -4.82 120.64 115.67 2k43 n GLU 75 Ca -0.08 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.16 2k43 n GLU 75 Cb 0.41 -0.43 0.49 0.00 -0.02 0.00 0.00 31.44 31.89 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 -1.60 4.29 0.18 0.00 0.05 -1.26 -4.36 118.68 115.98 2k43 s LEU 77 Ca 0.31 1.78 0.03 0.00 0.05 0.00 0.00 54.13 56.30 2k43 s LEU 77 Cb 0.15 -3.56 -0.05 0.00 -2.05 0.00 0.00 46.19 40.68 2k43 s LEU 77 CO 0.24 -0.52 -0.02 -0.36 -0.55 0.00 0.00 176.35 175.14 2k43 s PHE 78 N 1.92 1.33 0.15 3.48 0.08 -1.17 -3.81 117.98 119.97 2k43 s PHE 78 Ca 0.55 -0.92 -0.24 0.00 0.12 0.00 0.00 56.93 56.43 2k43 s PHE 78 Cb -0.24 -0.75 -0.08 0.00 -0.57 0.00 0.00 43.02 41.38 2k43 s PHE 78 CO 0.23 -0.08 0.74 -1.17 -0.10 0.00 0.00 175.22 174.84 2k43 s LEU 79 N -3.21 4.58 -0.12 -0.37 0.20 0.10 -1.37 118.68 118.49 2k43 s LEU 79 Ca 0.23 1.58 -0.15 0.00 0.69 0.00 0.00 54.13 56.48 2k43 s LEU 79 Cb 0.05 -3.23 -0.05 0.00 -0.43 0.00 0.00 46.19 42.53 2k43 s LEU 79 CO 0.05 0.21 0.37 -0.70 -0.29 0.00 0.00 176.35 175.98 2k43 s GLU 80 N -1.09 4.20 -0.07 1.98 2.12 -0.30 -0.28 118.70 125.27 2k43 s GLU 80 Ca 0.35 0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.96 2k43 s GLU 80 Cb -0.22 -3.39 0.01 0.00 0.26 0.00 0.00 34.13 30.79 2k43 s GLU 80 CO 0.25 0.30 -0.15 0.50 -0.54 0.00 0.00 175.26 175.62 2k43 s ARG 81 N 0.21 1.93 -0.18 4.30 6.06 -0.53 -4.96 118.95 125.79 2k43 s ARG 81 Ca 0.21 -0.53 -0.15 0.00 -2.50 0.00 0.00 55.73 52.76 2k43 s ARG 81 Cb -0.14 -1.58 -0.04 0.00 0.06 0.00 0.00 34.95 33.25 2k43 s ARG 81 CO 0.07 0.10 0.34 -0.48 -2.50 0.00 0.00 175.30 172.83 2k43 s LEU 82 N 0.47 4.20 0.42 -0.88 0.05 -1.26 -0.75 118.68 120.94 2k43 s LEU 82 Ca -0.13 0.51 -0.03 0.00 0.05 0.00 0.00 54.13 54.53 2k43 s LEU 82 Cb -0.15 -2.43 -0.04 0.00 -2.05 0.00 0.00 46.19 41.52 2k43 s LEU 82 CO 0.04 0.02 0.69 -0.70 -0.55 0.00 0.00 176.35 175.86 2k43 s GLU 83 N 0.83 3.53 0.10 1.48 2.56 -0.56 -4.95 118.70 121.69 2k43 s GLU 83 Ca 0.18 -0.00 0.23 0.00 0.00 0.00 0.00 54.97 55.37 2k43 s GLU 83 Cb -0.14 -2.49 -0.03 0.00 2.00 0.00 0.00 34.13 33.47 2k43 s GLU 83 CO 0.06 -0.06 0.94 -1.91 -0.56 0.00 0.00 175.26 173.73 2k43 n GLU 84 N -2.03 0.50 -1.10 4.30 4.07 -1.26 -4.07 120.64 121.04 2k43 n GLU 84 Ca -0.02 0.02 -0.26 0.00 -0.06 0.00 0.00 57.16 56.85 2k43 n GLU 84 Cb 0.55 -1.68 0.07 0.00 -0.06 0.00 0.00 31.44 30.32 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2k43 n ASN 85 N -2.33 6.76 -3.56 4.31 4.13 -1.26 -4.86 115.26 118.44 2k43 n ASN 85 Ca -0.00 -3.43 -0.26 0.00 1.68 0.00 0.00 54.58 52.57 2k43 n ASN 85 Cb 0.51 -0.99 0.05 0.00 -1.54 0.00 0.00 39.78 37.81 2k43 n ASN 85 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2k43 n HIS 86 N -0.37 -2.08 -3.88 3.10 -0.00 -1.26 -5.01 115.22 105.71 2k43 n HIS 86 Ca 0.47 0.58 -0.09 0.00 -0.00 0.00 0.00 57.72 58.68 2k43 n HIS 86 Cb 0.70 -3.59 -0.08 0.00 -0.00 0.00 0.00 29.99 27.02 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k43 s TYR 87 N -3.41 0.17 -0.11 1.57 2.02 -1.26 -5.05 117.35 111.29 2k43 s TYR 87 Ca 0.44 -0.55 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 2k43 s TYR 87 Cb -0.13 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 2k43 s TYR 87 CO 0.83 -0.48 -0.04 -0.80 -1.57 0.00 0.00 175.55 173.49 2k43 s ASN 88 N -2.62 4.84 0.30 2.29 -0.87 -0.96 -1.49 114.94 116.43 2k43 s ASN 88 Ca 0.02 -0.03 0.07 0.00 -1.57 0.00 0.00 52.86 51.35 2k43 s ASN 88 Cb 0.03 -1.48 -0.06 0.00 -0.02 0.00 0.00 41.25 39.72 2k43 s ASN 88 CO -0.09 0.29 -0.05 -0.89 -2.57 0.00 0.00 177.10 173.80 2k43 s THR 89 N -0.36 1.71 0.05 1.60 2.01 0.07 -1.97 115.64 118.75 2k43 s THR 89 Ca 0.06 -2.12 -0.12 0.00 0.31 0.00 0.00 61.69 59.82 2k43 s THR 89 Cb -0.12 -2.55 0.01 0.00 0.01 0.00 0.00 72.50 69.85 2k43 s THR 89 CO 0.02 -0.23 0.27 -0.31 -0.69 0.00 0.00 174.62 173.68 2k43 s TYR 90 N -2.96 -0.04 0.05 4.92 2.02 -1.26 -1.45 117.35 118.63 2k43 s TYR 90 Ca 0.31 -0.16 0.09 0.00 -0.37 0.00 0.00 57.07 56.94 2k43 s TYR 90 Cb 0.04 0.06 -0.03 0.00 -0.40 0.00 0.00 41.96 41.63 2k43 s TYR 90 CO 0.13 -0.50 -0.26 0.42 -1.57 0.00 0.00 175.55 173.77 2k43 s ILE 91 N -2.80 2.22 -0.76 2.71 1.09 0.62 -2.93 121.20 121.35 2k43 s ILE 91 Ca -0.03 -1.39 -0.22 0.00 -1.10 0.00 0.00 60.65 57.91 2k43 s ILE 91 Cb 0.00 -1.88 0.09 0.00 -1.06 0.00 0.00 42.46 39.61 2k43 s ILE 91 CO -0.05 0.35 1.04 -0.94 -0.10 0.00 0.00 174.94 175.24 2k43 s SER 92 N -1.31 6.32 0.00 3.58 1.04 -1.20 0.00 113.70 122.12 2k43 s SER 92 Ca 0.12 -1.30 0.21 0.00 0.48 0.00 0.00 55.95 55.46 2k43 s SER 92 Cb -0.10 -2.42 1.21 0.00 0.10 0.00 0.00 66.02 64.80 2k43 s SER 92 CO 0.03 -1.35 1.65 0.29 0.98 0.00 0.00 173.24 174.84 2k43 n LYS 93 N 7.48 0.57 0.20 4.02 5.02 -1.25 -2.89 118.16 131.31 2k43 n LYS 93 Ca 0.06 0.03 -0.08 0.00 -2.02 0.00 0.00 58.31 56.30 2k43 n LYS 93 Cb 0.47 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 2k43 n LYS 93 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2k43 h LYS 94 N 0.00 -0.48 0.00 1.97 1.63 -1.87 -2.36 116.57 115.45 2k43 h LYS 94 Ca 0.00 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2k43 h LYS 94 Cb 0.05 0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 2k43 h LYS 94 CO 0.00 -0.32 0.00 1.12 -3.45 0.00 0.00 179.45 176.80 2k43 h HIS 95 N -0.51 0.00 0.00 1.91 2.07 -1.88 -3.44 115.15 113.30 2k43 h HIS 95 Ca -0.05 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.47 2k43 h HIS 95 Cb 0.38 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.36 2k43 h HIS 95 CO 0.14 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 175.00 2k43 n ALA 96 N -1.98 0.00 0.11 6.11 0.00 -0.89 -2.07 120.51 121.78 2k43 n ALA 96 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2k43 n ALA 96 Cb 0.28 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.06 2k43 n ALA 96 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k43 n GLU 97 N 0.00 0.08 0.00 0.00 1.02 -1.26 -1.77 120.64 118.71 2k43 n GLU 97 Ca 0.00 0.55 0.11 0.00 -0.02 0.00 0.00 57.16 57.80 2k43 n GLU 97 Cb 0.00 -1.86 0.13 0.00 -0.02 0.00 0.00 31.44 29.68 2k43 n GLU 97 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k43 n LYS 98 N -1.92 0.02 -1.09 3.49 4.01 -0.88 -4.98 118.16 116.80 2k43 n LYS 98 Ca -0.01 0.00 -0.03 0.00 -0.51 0.00 0.00 58.31 57.76 2k43 n LYS 98 Cb 0.12 -1.51 -0.01 0.00 -0.51 0.00 0.00 35.03 33.12 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 -1.53 -3.79 -4.87 4.39 5.15 -0.73 -5.03 115.26 108.86 2k43 n ASN 99 Ca 0.05 0.08 -0.29 0.00 -0.60 0.00 0.00 54.58 53.82 2k43 n ASN 99 Cb 0.34 -1.56 0.10 0.00 -0.53 0.00 0.00 39.78 38.13 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 -1.98 2.87 0.06 1.20 0.51 -1.26 -5.02 118.94 115.32 2k43 s TRP 100 Ca 0.00 0.80 0.01 0.00 -2.12 0.00 0.00 56.10 54.79 2k43 s TRP 100 Cb 0.00 -3.44 -0.04 0.00 -0.81 0.00 0.00 33.47 29.18 2k43 s TRP 100 CO 0.00 -1.88 0.18 -0.06 -0.51 0.00 0.00 176.95 174.68 2k43 s PHE 101 N -3.48 3.45 -0.32 -1.98 0.40 -1.26 -3.24 117.98 111.54 2k43 s PHE 101 Ca 0.62 0.22 -0.16 0.00 -0.60 0.00 0.00 56.93 57.01 2k43 s PHE 101 Cb -0.12 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.66 2k43 s PHE 101 CO 0.50 0.58 0.39 0.54 0.70 0.00 0.00 175.22 177.94 2k43 s VAL 102 N -1.48 5.14 0.06 -0.44 0.11 -1.15 -4.45 120.40 118.19 2k43 s VAL 102 Ca 0.34 0.27 0.03 0.00 -2.93 0.00 0.00 61.98 59.68 2k43 s VAL 102 Cb -0.13 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2k43 s VAL 102 CO 0.26 -0.04 -0.10 -0.83 -3.33 0.00 0.00 175.10 171.07 2k43 s GLY 103 N 1.71 0.66 -0.01 6.54 0.00 -1.25 -4.54 107.32 110.43 2k43 s GLY 103 Ca 0.14 -0.90 0.02 0.00 0.00 0.00 0.00 44.72 43.98 2k43 s GLY 103 CO 0.11 -0.95 -0.08 0.48 0.00 0.00 0.00 173.10 172.67 2k43 s LEU 104 N -1.77 1.99 -0.59 0.66 0.05 -1.16 -1.77 118.68 116.10 2k43 s LEU 104 Ca -0.05 -0.14 -0.16 0.00 0.05 0.00 0.00 54.13 53.83 2k43 s LEU 104 Cb -0.09 -0.40 0.14 0.00 -2.05 0.00 0.00 46.19 43.80 2k43 s LEU 104 CO 0.01 0.09 0.56 -0.75 -0.55 0.00 0.00 176.35 175.71 2k43 s LYS 105 N -0.14 3.09 0.28 1.48 2.47 0.16 -4.50 119.74 122.57 2k43 s LYS 105 Ca 0.02 -1.78 0.13 0.00 -1.56 0.00 0.00 55.97 52.79 2k43 s LYS 105 Cb -0.03 -4.32 0.34 0.00 -1.46 0.00 0.00 37.83 32.36 2k43 s LYS 105 CO -0.00 -1.35 1.58 1.57 0.16 0.00 0.00 175.35 177.31 2k43 h LYS 106 N 8.76 0.00 0.00 4.03 5.09 -1.71 2.25 116.57 135.00 2k43 h LYS 106 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.50 2k43 h LYS 106 Cb 1.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.42 2k43 h LYS 106 CO 1.01 0.59 0.00 -1.71 -2.09 0.00 0.00 179.45 177.25 2k43 n ASN 107 N -3.58 0.19 0.00 7.07 5.15 -1.26 -0.22 115.26 122.60 2k43 n ASN 107 Ca -0.00 0.55 0.00 0.00 -0.60 0.00 0.00 54.58 54.53 2k43 n ASN 107 Cb 0.65 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 -0.32 0.73 3.35 8.20 0.00 -0.29 -4.80 105.19 112.07 2k43 n GLY 108 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2k43 n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k43 s SER 109 N 1.00 -0.02 -0.62 1.61 0.01 0.75 -1.55 113.70 114.88 2k43 s SER 109 Ca 0.00 -0.75 -0.18 0.00 1.31 0.00 0.00 55.95 56.33 2k43 s SER 109 Cb 0.00 0.45 0.12 0.00 0.21 0.00 0.00 66.02 66.80 2k43 s SER 109 CO 0.00 -0.90 0.71 0.00 0.41 0.00 0.00 173.24 173.46 2k43 s LYS 111 N 2.41 0.18 -0.37 0.00 0.00 -1.25 -1.99 119.74 118.71 2k43 s LYS 111 Ca 0.12 -0.28 0.01 0.00 0.00 0.00 0.00 55.97 55.82 2k43 s LYS 111 Cb -0.23 -1.26 0.15 0.00 0.00 0.00 0.00 37.83 36.49 2k43 s LYS 111 CO 0.04 -0.90 0.28 1.03 0.00 0.00 0.00 175.35 175.80 2k43 s ARG 112 N 2.17 0.62 -0.00 1.78 1.81 -0.73 -4.67 118.95 119.93 2k43 s ARG 112 Ca 0.07 -1.27 -0.01 0.00 -1.72 0.00 0.00 55.73 52.81 2k43 s ARG 112 Cb -0.16 -1.12 -0.00 0.00 -0.45 0.00 0.00 34.95 33.22 2k43 s ARG 112 CO -0.27 -1.23 -0.01 0.41 -0.68 0.00 0.00 175.30 173.53 2k43 n GLY 113 N 3.96 -0.25 0.10 -3.53 0.00 0.71 -3.88 105.19 102.30 2k43 n GLY 113 Ca 0.14 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.57 0.12 -0.04 1.61 -0.02 -1.26 -1.80 135.00 131.04 2k43 n PRO 114 Ca -0.00 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 61.98 2k43 n PRO 114 Cb 0.01 -1.79 -0.16 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.03 0.67 -1.91 -0.52 3.00 -1.26 -4.88 116.66 109.74 2k43 n ARG 115 Ca 0.01 -0.09 -0.43 0.00 -0.01 0.00 0.00 57.85 57.33 2k43 n ARG 115 Cb 0.12 -1.54 -0.03 0.00 0.00 0.00 0.00 32.46 31.01 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 -3.07 3.37 -5.00 0.55 -4.23 -0.74 -3.56 115.64 102.95 2k43 s THR 116 Ca -0.08 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.81 2k43 s THR 116 Cb 0.10 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.46 2k43 s THR 116 CO 0.87 -0.30 0.00 1.57 -0.54 0.00 0.00 174.62 176.22 2k43 n HIS 117 N 10.46 0.00 -2.62 3.99 -0.00 -1.26 -4.29 115.22 121.49 2k43 n HIS 117 Ca 0.24 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.53 2k43 n HIS 117 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.45 2k43 n HIS 117 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.34 177.32 2k43 n TYR 118 N 3.33 4.70 -0.03 1.57 4.19 -1.26 -3.92 117.16 125.74 2k43 n TYR 118 Ca 0.00 -2.91 -0.06 0.00 3.31 0.00 0.00 57.90 58.24 2k43 n TYR 118 Cb 0.00 -2.58 -0.02 0.00 0.49 0.00 0.00 39.34 37.22 2k43 n TYR 118 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k43 n GLY 119 N 5.22 -0.10 3.00 2.98 0.00 -1.23 -5.09 105.19 109.97 2k43 n GLY 119 Ca 0.47 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.37 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 -2.12 0.36 0.00 1.61 -1.52 -1.25 -5.02 119.66 111.72 2k43 s GLN 120 Ca -0.09 -0.69 0.22 0.00 -1.95 0.00 0.00 55.36 52.85 2k43 s GLN 120 Cb 0.03 0.13 1.30 0.00 -0.22 0.00 0.00 33.01 34.25 2k43 s GLN 120 CO 0.12 -0.06 1.77 0.36 -0.25 0.00 0.00 175.29 177.23 2k43 n LYS 121 N 1.38 0.90 0.00 2.91 2.85 -1.26 -3.21 118.16 121.73 2k43 n LYS 121 Ca -0.23 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.07 2k43 n LYS 121 Cb 0.56 -1.38 0.19 0.00 -0.65 0.00 0.00 35.03 33.76 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2k43 n ALA 122 N -0.88 1.49 1.37 0.58 0.00 -1.26 -0.80 120.51 121.02 2k43 n ALA 122 Ca 0.16 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.70 2k43 n ALA 122 Cb 0.07 -1.13 0.45 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.36 0.07 -3.20 0.00 5.41 -1.20 -2.96 119.36 116.11 2k43 n ILE 123 Ca 0.03 -0.30 -0.44 0.00 1.00 0.00 0.00 62.75 63.04 2k43 n ILE 123 Cb 0.08 0.54 -0.07 0.00 -0.71 0.00 0.00 39.64 39.48 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 -1.88 5.01 -0.08 1.39 1.02 0.02 -4.71 118.68 119.45 2k43 s LEU 124 Ca 0.36 -0.90 -0.08 0.00 0.02 0.00 0.00 54.13 53.53 2k43 s LEU 124 Cb 0.20 -2.43 -0.04 0.00 0.02 0.00 0.00 46.19 43.94 2k43 s LEU 124 CO 0.31 -0.82 0.19 -0.36 0.02 0.00 0.00 176.35 175.70 2k43 s PHE 125 N 2.47 3.61 -0.11 0.29 0.40 -0.83 -3.86 117.98 119.95 2k43 s PHE 125 Ca 0.14 0.58 -0.01 0.00 -0.60 0.00 0.00 56.93 57.04 2k43 s PHE 125 Cb -0.19 -1.98 0.04 0.00 0.51 0.00 0.00 43.02 41.39 2k43 s PHE 125 CO 0.12 0.70 -0.01 -0.51 0.70 0.00 0.00 175.22 176.23 2k43 s LEU 126 N -1.20 0.89 -0.20 -0.37 1.02 -1.02 -2.26 118.68 115.54 2k43 s LEU 126 Ca 0.19 -0.34 -0.07 0.00 0.02 0.00 0.00 54.13 53.94 2k43 s LEU 126 Cb -0.13 -0.57 -0.03 0.00 0.02 0.00 0.00 46.19 45.48 2k43 s LEU 126 CO 0.08 -0.21 0.04 -2.16 0.02 0.00 0.00 176.35 174.12 2k43 s PRO 127 N 1.88 3.79 -0.06 1.29 0.04 -1.26 -2.30 135.00 138.38 2k43 s PRO 127 Ca 0.03 -0.43 -0.00 0.00 0.04 0.00 0.00 61.00 60.64 2k43 s PRO 127 Cb -0.14 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.24 2k43 s PRO 127 CO -0.07 0.09 -0.02 -0.51 0.04 0.00 0.00 177.00 176.53 2k43 s LEU 128 N 0.85 0.94 0.67 -3.56 1.43 -0.97 -4.92 118.68 113.12 2k43 s LEU 128 Ca 0.03 -0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 52.95 2k43 s LEU 128 Cb -0.14 -0.44 0.04 0.00 0.03 0.00 0.00 46.19 45.68 2k43 s LEU 128 CO 0.02 -0.13 1.00 -2.16 0.23 0.00 0.00 176.35 175.31 2k43 s PRO 129 N 1.48 2.49 0.31 1.29 0.04 -1.26 0.54 135.00 139.90 2k43 s PRO 129 Ca -0.02 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 60.65 2k43 s PRO 129 Cb -0.13 -2.17 -0.12 0.00 0.04 0.00 0.00 34.50 32.12 2k43 s PRO 129 CO -0.03 -1.06 1.53 0.28 0.04 0.00 0.00 177.00 177.76 2k43 n VAL 130 N -2.85 1.28 -4.58 -0.36 0.31 -1.02 -4.85 118.33 106.27 2k43 n VAL 130 Ca 0.07 -0.32 -0.33 0.00 -0.01 0.00 0.00 64.34 63.74 2k43 n VAL 130 Cb 0.59 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.53 2k43 n VAL 130 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k43 s SER 131 N 0.29 4.60 -0.55 4.52 0.15 -1.26 -2.34 113.70 119.12 2k43 s SER 131 Ca 0.62 -0.07 -0.16 0.00 0.70 0.00 0.00 55.95 57.03 2k43 s SER 131 Cb -0.51 -1.12 0.12 0.00 -1.71 0.00 0.00 66.02 62.80 2k43 s SER 131 CO 0.53 0.33 0.53 -0.94 1.20 0.00 0.00 173.24 174.89 2k43 s SER 132 N -1.01 6.19 0.00 5.45 1.04 -1.26 -2.92 113.70 121.19 2k43 s SER 132 Ca 0.14 -1.72 0.28 0.00 0.48 0.00 0.00 55.95 55.12 2k43 s SER 132 Cb -0.11 -2.22 0.95 0.00 0.10 0.00 0.00 66.02 64.74 2k43 s SER 132 CO 0.03 -0.90 1.69 -0.67 0.98 0.00 0.00 173.24 174.38