#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 4.37 0.00 -3.48 2.20 -1.26 -3.96 119.74 117.61 2k43 s LYS 2 Ca 0.00 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 57.75 2k43 s LYS 2 Cb 0.00 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2k43 s LYS 2 CO 0.00 -0.22 0.00 0.36 -0.36 0.00 0.00 175.35 175.13 2k43 n LYS 3 N 1.79 0.00 -1.07 4.03 2.85 -1.26 -5.03 118.16 119.46 2k43 n LYS 3 Ca 0.03 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.87 2k43 n LYS 3 Cb 0.42 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.74 2k43 n LYS 3 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 2k43 n PRO 4 N 0.00 0.00 -3.03 -1.58 -0.01 -1.26 -4.59 135.00 124.53 2k43 n PRO 4 Ca 0.00 0.00 -0.22 0.00 -0.01 0.00 0.00 63.50 63.27 2k43 n PRO 4 Cb 0.00 -1.03 0.01 0.00 -0.01 0.00 0.00 33.50 32.47 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 2k43 s LYS 5 N 0.56 2.98 0.06 -0.52 1.02 0.38 -2.57 119.74 121.65 2k43 s LYS 5 Ca 0.65 -0.67 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2k43 s LYS 5 Cb -0.91 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2k43 s LYS 5 CO 0.44 -0.28 0.19 -1.17 -0.92 0.00 0.00 175.35 173.61 2k43 s LEU 6 N -4.51 4.28 -0.49 3.17 2.96 0.14 -1.86 118.68 122.38 2k43 s LEU 6 Ca 0.49 0.24 -0.19 0.00 -0.22 0.00 0.00 54.13 54.45 2k43 s LEU 6 Cb -0.10 -2.87 0.05 0.00 0.50 0.00 0.00 46.19 43.78 2k43 s LEU 6 CO 0.36 0.18 0.59 -0.22 -1.32 0.00 0.00 176.35 175.94 2k43 s LEU 7 N -2.45 4.97 -0.52 -0.68 2.96 -1.26 -2.79 118.68 118.91 2k43 s LEU 7 Ca 0.34 -0.88 -0.16 0.00 -0.22 0.00 0.00 54.13 53.21 2k43 s LEU 7 Cb -0.13 -2.44 0.11 0.00 0.50 0.00 0.00 46.19 44.23 2k43 s LEU 7 CO 0.26 -0.83 0.47 -0.47 -1.32 0.00 0.00 176.35 174.47 2k43 s TYR 8 N 2.52 3.23 0.50 5.38 6.14 -1.03 -3.63 117.35 130.46 2k43 s TYR 8 Ca 0.14 -1.13 -0.13 0.00 0.64 0.00 0.00 57.07 56.60 2k43 s TYR 8 Cb -0.19 -3.57 -0.07 0.00 0.42 0.00 0.00 41.96 38.55 2k43 s TYR 8 CO 0.12 -0.95 0.92 0.00 0.64 0.00 0.00 175.55 176.28 2k43 s SER 10 N -3.33 4.27 -0.32 0.00 0.15 -0.84 -3.98 113.70 109.65 2k43 s SER 10 Ca 0.55 2.02 -0.28 0.00 0.70 0.00 0.00 55.95 58.94 2k43 s SER 10 Cb -0.10 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2k43 s SER 10 CO 0.36 -2.19 1.83 0.21 1.20 0.00 0.00 173.24 174.64 2k43 s ASN 11 N -2.85 5.86 0.00 5.45 3.84 -1.26 -4.89 114.94 121.09 2k43 s ASN 11 Ca 0.66 1.34 0.00 0.00 0.21 0.00 0.00 52.86 55.06 2k43 s ASN 11 Cb -0.21 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 2k43 s ASN 11 CO 0.51 -1.73 0.00 0.61 -2.79 0.00 0.00 177.10 173.70 2k43 n GLY 12 N 5.45 4.44 2.57 1.21 0.00 -1.26 -5.12 105.19 112.49 2k43 n GLY 12 Ca 0.23 -1.38 -0.27 0.00 0.00 0.00 0.00 46.02 44.60 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 2.82 3.29 -0.02 0.00 -1.26 -4.97 105.19 105.04 2k43 n GLY 13 Ca 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.51 1.42 -0.01 1.61 3.76 -1.26 -4.69 115.29 115.61 2k43 s HIS 14 Ca 0.30 -1.12 0.03 0.00 -0.15 0.00 0.00 55.06 54.12 2k43 s HIS 14 Cb 0.01 -0.82 -0.01 0.00 1.11 0.00 0.00 32.58 32.88 2k43 s HIS 14 CO -0.19 -0.29 -0.11 -0.06 -0.85 0.00 0.00 174.74 173.24 2k43 s PHE 15 N -3.72 0.97 -0.37 1.40 0.08 -0.74 -4.76 117.98 110.84 2k43 s PHE 15 Ca 0.33 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.90 2k43 s PHE 15 Cb 0.07 -0.63 0.02 0.00 -0.57 0.00 0.00 43.02 41.91 2k43 s PHE 15 CO 0.10 -0.02 1.13 -1.17 -0.10 0.00 0.00 175.22 175.16 2k43 s LEU 16 N -0.22 3.82 0.13 -0.37 2.96 -1.24 0.07 118.68 123.83 2k43 s LEU 16 Ca 0.04 0.88 0.07 0.00 -0.22 0.00 0.00 54.13 54.90 2k43 s LEU 16 Cb -0.04 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 2k43 s LEU 16 CO -0.00 -1.04 -0.16 0.00 -1.32 0.00 0.00 176.35 173.83 2k43 s ARG 17 N 4.00 1.12 -0.04 1.98 1.70 0.12 -4.16 118.95 123.68 2k43 s ARG 17 Ca 0.48 -1.28 -0.18 0.00 -0.47 0.00 0.00 55.73 54.28 2k43 s ARG 17 Cb -0.11 -1.12 -0.05 0.00 -0.57 0.00 0.00 34.95 33.10 2k43 s ARG 17 CO 0.22 0.23 0.49 0.96 -1.08 0.00 0.00 175.30 176.11 2k43 s ILE 18 N -1.96 5.04 -0.02 4.99 -4.36 -1.23 -1.92 121.20 121.73 2k43 s ILE 18 Ca 0.11 1.00 -0.01 0.00 -0.26 0.00 0.00 60.65 61.49 2k43 s ILE 18 Cb -0.06 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 2k43 s ILE 18 CO 0.04 0.44 0.06 -0.22 0.24 0.00 0.00 174.94 175.51 2k43 s LEU 19 N -0.23 3.82 0.00 0.37 2.96 -0.21 -4.98 118.68 120.42 2k43 s LEU 19 Ca 0.26 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 54.32 2k43 s LEU 19 Cb -0.17 -2.16 0.07 0.00 0.50 0.00 0.00 46.19 44.44 2k43 s LEU 19 CO 0.13 0.30 0.76 -2.65 -1.32 0.00 0.00 176.35 173.57 2k43 n PRO 20 N 1.39 0.71 0.00 0.98 -0.02 -1.26 -1.33 135.00 135.46 2k43 n PRO 20 Ca -0.14 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.45 2k43 n PRO 20 Cb 0.53 -1.03 0.07 0.00 -0.02 0.00 0.00 33.50 33.05 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 -0.53 1.76 -0.13 2.55 8.00 -1.26 -4.96 116.55 121.98 2k43 n ASP 21 Ca 0.01 -1.35 0.00 0.00 0.71 0.00 0.00 54.79 54.16 2k43 n ASP 21 Cb 0.00 0.44 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 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 1.41 0.72 3.22 0.44 0.00 -0.44 -5.11 105.19 105.43 2k43 n GLY 22 Ca 0.09 -0.09 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 1.47 -0.27 2.61 2.01 -1.14 -4.04 115.64 114.58 2k43 s THR 23 Ca 0.00 -1.26 0.01 0.00 0.31 0.00 0.00 61.69 60.75 2k43 s THR 23 Cb 0.00 -1.32 0.07 0.00 0.01 0.00 0.00 72.50 71.26 2k43 s THR 23 CO 0.00 0.03 -0.02 0.54 -0.69 0.00 0.00 174.62 174.48 2k43 s VAL 24 N -0.97 1.61 0.27 3.82 0.11 -1.18 -1.04 120.40 123.02 2k43 s VAL 24 Ca 0.05 -1.49 0.02 0.00 -2.93 0.00 0.00 61.98 57.63 2k43 s VAL 24 Cb -0.09 -1.98 -0.05 0.00 -1.53 0.00 0.00 36.38 32.73 2k43 s VAL 24 CO 0.02 -0.28 0.09 1.51 -3.33 0.00 0.00 175.10 173.12 2k43 s ASP 25 N 1.32 1.45 -0.02 3.54 1.47 -0.81 -3.23 116.67 120.39 2k43 s ASP 25 Ca -0.01 -1.38 -0.26 0.00 1.18 0.00 0.00 52.55 52.08 2k43 s ASP 25 Cb -0.19 0.11 -0.04 0.00 -0.34 0.00 0.00 42.92 42.46 2k43 s ASP 25 CO -0.09 -0.70 0.83 -0.83 0.68 0.00 0.00 175.17 175.05 2k43 s GLY 26 N -3.35 2.77 -0.06 2.12 0.00 -0.48 0.13 107.32 108.45 2k43 s GLY 26 Ca 0.37 0.33 -0.09 0.00 0.00 0.00 0.00 44.72 45.33 2k43 s GLY 26 CO 0.14 1.38 0.24 -1.59 0.00 0.00 0.00 173.10 173.27 2k43 s THR 27 N 0.75 0.03 -0.53 0.90 2.01 0.11 -4.59 115.64 114.32 2k43 s THR 27 Ca 0.44 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.98 2k43 s THR 27 Cb -0.20 -0.42 0.05 0.00 0.01 0.00 0.00 72.50 71.94 2k43 s THR 27 CO 0.23 -0.13 0.82 -0.13 -0.69 0.00 0.00 174.62 174.72 2k43 s ARG 28 N -0.45 3.26 -0.20 4.92 0.52 -1.26 -1.79 118.95 123.95 2k43 s ARG 28 Ca -0.06 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.65 2k43 s ARG 28 Cb -0.04 -4.06 0.10 0.00 0.52 0.00 0.00 34.95 31.47 2k43 s ARG 28 CO 0.01 -1.36 0.30 -0.51 0.02 0.00 0.00 175.30 173.76 2k43 s ASP 29 N 2.72 0.62 0.00 0.23 1.01 -1.26 -4.98 116.67 115.01 2k43 s ASP 29 Ca 0.25 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.74 2k43 s ASP 29 Cb -0.15 0.78 0.00 0.00 1.01 0.00 0.00 42.92 44.56 2k43 s ASP 29 CO 0.17 -0.29 0.48 -1.14 0.21 0.00 0.00 175.17 174.60 2k43 n ARG 30 N 5.35 -0.21 0.00 8.23 0.00 -1.26 -4.46 116.66 124.30 2k43 n ARG 30 Ca -0.05 -0.55 0.14 0.00 -0.00 0.00 0.00 57.85 57.39 2k43 n ARG 30 Cb 0.50 -0.89 0.69 0.00 0.00 0.00 0.00 32.46 32.76 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 -0.07 0.05 -3.87 6.15 7.64 -1.26 -4.83 113.62 117.44 2k43 n SER 31 Ca 0.00 0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.68 2k43 n SER 31 Cb 0.10 -0.32 -0.04 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.33 2.84 -1.86 6.43 -0.08 -1.26 -5.06 116.55 116.23 2k43 n ASP 32 Ca 0.12 -2.50 -0.20 0.00 -1.51 0.00 0.00 54.79 50.69 2k43 n ASP 32 Cb 0.28 0.20 0.13 0.00 2.34 0.00 0.00 41.12 44.07 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 -0.97 2.45 -0.01 -0.67 6.02 -1.26 -4.57 117.38 118.37 2k43 n GLN 33 Ca -0.12 -3.34 -0.04 0.00 -0.01 0.00 0.00 57.00 53.48 2k43 n GLN 33 Cb 0.44 -2.10 -0.12 0.00 1.02 0.00 0.00 30.24 29.48 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 -1.01 0.75 -0.05 1.08 8.25 -1.26 -4.45 115.22 118.53 2k43 n HIS 34 Ca 0.49 0.26 -0.01 0.00 -0.26 0.00 0.00 57.72 58.20 2k43 n HIS 34 Cb 1.07 -1.07 0.18 0.00 1.12 0.00 0.00 29.99 31.29 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 -2.88 1.68 -3.72 1.59 -0.00 -1.26 -3.57 119.36 111.19 2k43 n ILE 35 Ca -0.16 -0.82 -0.37 0.00 -0.00 0.00 0.00 62.75 61.40 2k43 n ILE 35 Cb 0.96 -0.49 -0.10 0.00 -0.00 0.00 0.00 39.64 40.00 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 -1.87 2.26 -0.05 6.28 -2.07 -1.26 -4.17 119.66 118.78 2k43 s GLN 36 Ca 0.29 -2.06 0.04 0.00 -1.82 0.00 0.00 55.36 51.82 2k43 s GLN 36 Cb 0.23 -3.68 -0.02 0.00 -1.09 0.00 0.00 33.01 28.44 2k43 s GLN 36 CO 0.08 -1.12 -0.17 -0.48 -1.32 0.00 0.00 175.29 172.28 2k43 s LEU 37 N 0.76 2.60 -0.52 2.60 0.05 -0.78 -2.77 118.68 120.62 2k43 s LEU 37 Ca 0.11 -0.26 -0.21 0.00 0.05 0.00 0.00 54.13 53.81 2k43 s LEU 37 Cb -0.22 -1.52 0.05 0.00 -2.05 0.00 0.00 46.19 42.45 2k43 s LEU 37 CO -0.04 0.32 0.75 -1.58 -0.55 0.00 0.00 176.35 175.26 2k43 s GLN 38 N -0.60 3.22 -0.51 1.48 -0.44 0.20 0.14 119.66 123.14 2k43 s GLN 38 Ca 0.09 -0.60 -0.14 0.00 -2.50 0.00 0.00 55.36 52.21 2k43 s GLN 38 Cb -0.11 -4.07 0.12 0.00 -1.64 0.00 0.00 33.01 27.31 2k43 s GLN 38 CO 0.01 -1.30 0.44 -1.17 0.50 0.00 0.00 175.29 173.77 2k43 s LEU 39 N 3.15 6.00 0.22 3.68 1.98 -1.26 -1.88 118.68 130.56 2k43 s LEU 39 Ca 0.22 -1.80 0.09 0.00 -2.89 0.00 0.00 54.13 49.74 2k43 s LEU 39 Cb -0.16 -2.14 -0.04 0.00 0.66 0.00 0.00 46.19 44.50 2k43 s LEU 39 CO 0.15 -0.79 -0.01 -0.94 -1.89 0.00 0.00 176.35 172.87 2k43 s SER 40 N 3.25 4.59 -0.40 3.68 1.04 -0.74 -4.92 113.70 120.19 2k43 s SER 40 Ca 0.04 -0.54 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2k43 s SER 40 Cb -0.28 -0.89 0.11 0.00 0.10 0.00 0.00 66.02 65.05 2k43 s SER 40 CO 0.02 0.05 0.16 0.00 0.98 0.00 0.00 173.24 174.44 2k43 s ALA 41 N -2.01 3.08 -0.20 5.32 0.00 -1.26 -0.16 121.76 126.53 2k43 s ALA 41 Ca 0.29 -2.65 0.04 0.00 0.00 0.00 0.00 51.96 49.64 2k43 s ALA 41 Cb -0.08 -2.21 -0.21 0.00 0.00 0.00 0.00 23.12 20.62 2k43 s ALA 41 CO 0.19 -1.79 0.01 -1.91 0.00 0.00 0.00 175.76 172.26 2k43 n GLU 42 N 4.24 0.68 -4.18 0.00 4.07 -1.16 -4.91 120.64 119.37 2k43 n GLU 42 Ca 0.02 0.15 -0.23 0.00 -0.06 0.00 0.00 57.16 57.04 2k43 n GLU 42 Cb 0.41 -1.58 -0.07 0.00 -0.06 0.00 0.00 31.44 30.14 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 -6.41 4.62 -0.07 4.31 0.01 -1.24 -5.05 113.70 109.87 2k43 s SER 43 Ca -0.26 -0.74 -0.30 0.00 1.31 0.00 0.00 55.95 55.96 2k43 s SER 43 Cb 0.08 -0.77 -0.08 0.00 0.21 0.00 0.00 66.02 65.46 2k43 s SER 43 CO 0.69 -0.20 2.05 0.52 0.41 0.00 0.00 173.24 176.72 2k43 n VAL 44 N -1.06 0.60 0.00 3.43 0.31 -1.26 -2.08 118.33 118.27 2k43 n VAL 44 Ca -0.04 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.05 2k43 n VAL 44 Cb 0.61 -2.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.21 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 4.99 3.18 3.65 2.92 0.00 -1.26 -5.00 105.19 113.67 2k43 n GLY 45 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.41 2.64 0.04 1.61 -1.05 -0.88 0.38 118.70 121.03 2k43 s GLU 46 Ca 0.00 -0.71 0.09 0.00 -0.15 0.00 0.00 54.97 54.20 2k43 s GLU 46 Cb 0.00 -2.58 -0.03 0.00 -0.44 0.00 0.00 34.13 31.08 2k43 s GLU 46 CO 0.00 0.60 -0.26 0.14 0.95 0.00 0.00 175.26 176.68 2k43 s VAL 47 N -1.11 2.16 -0.18 1.83 -7.23 -0.42 -3.01 120.40 112.43 2k43 s VAL 47 Ca 0.20 -1.38 -0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2k43 s VAL 47 Cb -0.11 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2k43 s VAL 47 CO 0.11 0.37 -0.15 -0.47 -0.31 0.00 0.00 175.10 174.66 2k43 s TYR 48 N -0.81 2.83 -0.34 2.82 5.04 0.77 -3.06 117.35 124.61 2k43 s TYR 48 Ca 0.12 -1.31 -0.08 0.00 -2.44 0.00 0.00 57.07 53.36 2k43 s TYR 48 Cb -0.10 -1.96 0.03 0.00 0.35 0.00 0.00 41.96 40.28 2k43 s TYR 48 CO 0.02 -0.66 0.12 0.42 -1.34 0.00 0.00 175.55 174.12 2k43 s ILE 49 N 1.23 4.01 0.15 3.14 1.09 -1.26 -1.80 121.20 127.76 2k43 s ILE 49 Ca 0.03 -0.99 0.10 0.00 -1.10 0.00 0.00 60.65 58.69 2k43 s ILE 49 Cb -0.14 -3.22 -0.04 0.00 -1.06 0.00 0.00 42.46 38.00 2k43 s ILE 49 CO -0.07 -0.15 -0.22 -1.59 -0.10 0.00 0.00 174.94 172.81 2k43 s LYS 50 N 1.46 1.32 0.05 2.79 -2.85 -0.79 -4.83 119.74 116.89 2k43 s LYS 50 Ca -0.00 -1.36 -0.30 0.00 -1.00 0.00 0.00 55.97 53.31 2k43 s LYS 50 Cb -0.19 -1.58 -0.04 0.00 -2.06 0.00 0.00 37.83 33.96 2k43 s LYS 50 CO 0.04 0.35 0.99 0.45 0.10 0.00 0.00 175.35 177.27 2k43 s SER 51 N -2.37 7.40 0.00 0.03 0.15 -1.13 0.60 113.70 118.39 2k43 s SER 51 Ca 0.14 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.54 2k43 s SER 51 Cb -0.08 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2k43 s SER 51 CO 0.07 -0.19 0.00 0.41 1.20 0.00 0.00 173.24 174.73 2k43 n THR 52 N 3.41 0.00 -0.11 6.45 -1.04 -1.22 -4.68 114.28 117.10 2k43 n THR 52 Ca 0.05 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.81 2k43 n THR 52 Cb 0.50 -0.10 -0.11 0.00 -1.82 0.00 0.00 70.33 68.80 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 0.60 -0.29 -2.82 2.13 -1.26 -4.63 120.64 114.36 2k43 n GLU 53 Ca 0.00 0.42 0.09 0.00 0.66 0.00 0.00 57.16 58.33 2k43 n GLU 53 Cb 0.00 -1.65 0.21 0.00 0.27 0.00 0.00 31.44 30.27 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 -4.21 2.08 -0.04 6.31 -1.04 -1.26 -4.90 114.28 111.22 2k43 n THR 54 Ca -0.40 -1.97 -0.08 0.00 -2.04 0.00 0.00 64.05 59.56 2k43 n THR 54 Cb 0.80 -0.21 -0.14 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.81 -1.02 0.00 3.41 0.00 -1.12 -4.39 105.19 101.26 2k43 n GLY 55 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2k43 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLN 56 N -2.93 0.00 -2.94 1.61 10.64 -1.23 -4.20 117.38 118.33 2k43 n GLN 56 Ca -0.20 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.53 2k43 n GLN 56 Cb 1.05 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.43 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 2k43 n TYR 57 N -1.48 3.74 -2.38 2.61 9.36 -1.03 -2.85 117.16 125.14 2k43 n TYR 57 Ca 0.00 -3.14 -0.41 0.00 3.32 0.00 0.00 57.90 57.67 2k43 n TYR 57 Cb 0.00 -1.71 -0.03 0.00 -0.63 0.00 0.00 39.34 36.98 2k43 n TYR 57 CO 0.00 0.00 0.00 -0.48 0.22 0.00 0.00 176.86 176.60 2k43 s LEU 58 N -0.99 3.35 -0.25 2.98 2.34 -1.25 -2.26 118.68 122.59 2k43 s LEU 58 Ca 0.35 0.17 -0.04 0.00 0.06 0.00 0.00 54.13 54.67 2k43 s LEU 58 Cb 0.00 -2.91 0.01 0.00 -0.56 0.00 0.00 46.19 42.73 2k43 s LEU 58 CO 0.01 -1.80 -0.01 0.00 -1.06 0.00 0.00 176.35 173.49 2k43 s ALA 59 N 6.33 2.86 -0.27 1.48 0.00 0.17 -2.65 121.76 129.68 2k43 s ALA 59 Ca 0.51 -1.32 -0.27 0.00 0.00 0.00 0.00 51.96 50.87 2k43 s ALA 59 Cb -0.11 -1.83 0.01 0.00 0.00 0.00 0.00 23.12 21.20 2k43 s ALA 59 CO 0.23 -0.67 0.98 -1.64 0.00 0.00 0.00 175.76 174.66 2k43 s MET 60 N 1.45 4.14 -0.73 0.00 -1.94 -1.24 -2.69 119.30 118.29 2k43 s MET 60 Ca 0.03 1.08 -0.14 0.00 -1.71 0.00 0.00 55.69 54.95 2k43 s MET 60 Cb -0.16 -3.69 0.19 0.00 2.01 0.00 0.00 34.83 33.19 2k43 s MET 60 CO -0.02 -0.71 0.67 0.34 -0.01 0.00 0.00 175.02 175.29 2k43 s ASP 61 N 1.44 6.54 0.00 3.03 2.15 -1.06 -4.27 116.67 124.49 2k43 s ASP 61 Ca 0.41 -2.42 0.00 0.00 0.43 0.00 0.00 52.55 50.98 2k43 s ASP 61 Cb -0.14 -2.20 0.00 0.00 -0.30 0.00 0.00 42.92 40.28 2k43 s ASP 61 CO 0.10 -0.65 0.00 0.41 -0.17 0.00 0.00 175.17 174.86 2k43 n THR 62 N 4.35 0.00 -0.92 1.71 -1.04 -1.26 -2.57 114.28 114.55 2k43 n THR 62 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 2k43 n THR 62 Cb 0.45 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.96 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 0.00 -2.77 0.01 8.00 2.03 -1.26 -4.87 116.55 117.69 2k43 n ASP 63 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 2k43 n ASP 63 Cb 0.00 -0.46 -0.11 0.00 -0.72 0.00 0.00 41.12 39.83 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 -2.92 -1.16 3.17 0.27 0.00 -1.06 -3.20 105.19 100.28 2k43 n GLY 64 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 2k43 n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k43 s LEU 65 N -5.17 -0.36 -0.24 0.99 2.34 -1.23 -0.31 118.68 114.69 2k43 s LEU 65 Ca -0.05 0.82 -0.10 0.00 0.06 0.00 0.00 54.13 54.85 2k43 s LEU 65 Cb 0.10 1.11 -0.05 0.00 -0.56 0.00 0.00 46.19 46.79 2k43 s LEU 65 CO 0.85 -0.22 0.16 -0.76 -1.06 0.00 0.00 176.35 175.31 2k43 s LEU 66 N 2.24 4.07 0.17 1.48 2.01 -1.01 -2.58 118.68 125.06 2k43 s LEU 66 Ca -0.03 0.08 0.09 0.00 0.01 0.00 0.00 54.13 54.28 2k43 s LEU 66 Cb -0.11 -2.10 -0.04 0.00 0.01 0.00 0.00 46.19 43.95 2k43 s LEU 66 CO -0.11 0.05 -0.19 -0.72 1.01 0.00 0.00 176.35 176.39 2k43 s TYR 67 N 1.16 1.89 -0.28 0.29 1.13 -1.09 -4.54 117.35 115.90 2k43 s TYR 67 Ca 0.07 -0.45 -0.17 0.00 -1.41 0.00 0.00 57.07 55.11 2k43 s TYR 67 Cb -0.14 -0.94 0.10 0.00 -1.10 0.00 0.00 41.96 39.89 2k43 s TYR 67 CO 0.05 0.37 0.78 0.20 -2.51 0.00 0.00 175.55 174.44 2k43 s GLY 68 N -2.71 -0.43 0.35 5.49 0.00 -1.23 0.45 107.32 109.24 2k43 s GLY 68 Ca 0.17 2.62 0.00 0.00 0.00 0.00 0.00 44.72 47.51 2k43 s GLY 68 CO 0.07 2.41 0.00 1.44 0.00 0.00 0.00 173.10 177.02 2k43 n SER 69 N 3.98 -1.52 -0.05 1.64 7.64 -0.96 -3.12 113.62 121.23 2k43 n SER 69 Ca -0.19 0.63 -0.21 0.00 1.01 0.00 0.00 58.87 60.11 2k43 n SER 69 Cb 0.58 1.57 -0.13 0.00 -1.01 0.00 0.00 64.21 65.23 2k43 n SER 69 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2k43 h GLN 70 N 0.00 0.12 -5.01 1.43 4.15 -1.83 -2.80 115.11 111.17 2k43 h GLN 70 Ca 0.00 -0.20 -0.46 0.00 0.77 0.00 0.00 58.65 58.76 2k43 h GLN 70 Cb 0.00 0.07 -0.14 0.00 0.21 0.00 0.00 27.48 27.63 2k43 h GLN 70 CO 0.00 1.10 -0.56 0.99 -1.93 0.00 0.00 178.83 178.42 2k43 s THR 71 N -2.43 0.64 -0.35 2.39 2.01 -1.26 -4.59 115.64 112.05 2k43 s THR 71 Ca -0.25 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 59.76 2k43 s THR 71 Cb 0.06 -2.54 0.09 0.00 0.01 0.00 0.00 72.50 70.11 2k43 s THR 71 CO 0.67 0.00 0.08 -2.16 -0.69 0.00 0.00 174.62 172.52 2k43 s PRO 72 N -3.83 1.86 0.71 4.92 0.04 -1.26 -2.45 135.00 134.98 2k43 s PRO 72 Ca 0.32 -1.73 0.01 0.00 0.04 0.00 0.00 61.00 59.65 2k43 s PRO 72 Cb 0.05 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.44 2k43 s PRO 72 CO 0.16 -0.90 0.97 0.09 0.04 0.00 0.00 177.00 177.35 2k43 n ASN 73 N 4.43 1.42 -4.25 6.66 3.02 -1.26 -4.99 115.26 120.30 2k43 n ASN 73 Ca -0.02 -2.17 -0.41 0.00 -0.03 0.00 0.00 54.58 51.94 2k43 n ASN 73 Cb 0.42 -0.62 -0.09 0.00 -0.61 0.00 0.00 39.78 38.88 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 -5.04 2.60 0.00 3.52 -1.05 -1.26 -3.80 118.70 113.67 2k43 s GLU 74 Ca 0.65 -1.62 0.00 0.00 -0.15 0.00 0.00 54.97 53.86 2k43 s GLU 74 Cb -0.04 -3.91 0.00 0.00 -0.44 0.00 0.00 34.13 29.74 2k43 s GLU 74 CO 0.43 -1.10 0.00 0.39 0.95 0.00 0.00 175.26 175.93 2k43 n GLU 75 N 4.96 3.05 0.00 -4.83 -0.58 -1.26 -4.81 120.64 117.16 2k43 n GLU 75 Ca -0.09 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.79 2k43 n GLU 75 Cb 0.42 -0.66 0.65 0.00 -0.57 0.00 0.00 31.44 31.27 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k43 s LEU 77 N -2.72 4.29 0.18 0.00 0.20 -1.26 -4.39 118.68 114.98 2k43 s LEU 77 Ca 0.23 1.48 0.03 0.00 0.69 0.00 0.00 54.13 56.56 2k43 s LEU 77 Cb 0.20 -3.44 -0.05 0.00 -0.43 0.00 0.00 46.19 42.47 2k43 s LEU 77 CO 0.50 -0.32 -0.04 -0.36 -0.29 0.00 0.00 176.35 175.85 2k43 s PHE 78 N 1.46 1.31 -0.10 5.38 0.08 -1.17 -3.38 117.98 121.56 2k43 s PHE 78 Ca 0.47 -0.90 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 2k43 s PHE 78 Cb -0.19 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.49 2k43 s PHE 78 CO 0.21 -0.07 0.32 -1.17 -0.10 0.00 0.00 175.22 174.42 2k43 s LEU 79 N -3.20 4.34 -0.25 -0.37 0.20 -0.50 -1.30 118.68 117.61 2k43 s LEU 79 Ca 0.22 0.67 -0.12 0.00 0.69 0.00 0.00 54.13 55.59 2k43 s LEU 79 Cb 0.05 -2.42 -0.05 0.00 -0.43 0.00 0.00 46.19 43.34 2k43 s LEU 79 CO 0.04 0.21 0.24 -0.70 -0.29 0.00 0.00 176.35 175.84 2k43 s GLU 80 N -0.23 4.05 -0.27 1.98 2.12 0.16 0.33 118.70 126.83 2k43 s GLU 80 Ca 0.19 -0.16 -0.00 0.00 0.36 0.00 0.00 54.97 55.36 2k43 s GLU 80 Cb -0.14 -3.59 0.08 0.00 0.26 0.00 0.00 34.13 30.74 2k43 s GLU 80 CO 0.07 -0.07 0.04 0.50 -0.54 0.00 0.00 175.26 175.27 2k43 s ARG 81 N 1.43 1.03 -0.54 4.30 3.52 -0.31 -4.86 118.95 123.52 2k43 s ARG 81 Ca 0.10 -1.03 -0.17 0.00 -0.13 0.00 0.00 55.73 54.50 2k43 s ARG 81 Cb -0.15 -2.32 0.11 0.00 -1.56 0.00 0.00 34.95 31.03 2k43 s ARG 81 CO 0.08 -0.82 0.57 -0.48 -0.81 0.00 0.00 175.30 173.84 2k43 s LEU 82 N 1.52 5.71 -0.33 -0.88 2.34 -1.26 -1.05 118.68 124.73 2k43 s LEU 82 Ca 0.04 -1.51 0.03 0.00 0.06 0.00 0.00 54.13 52.75 2k43 s LEU 82 Cb -0.18 -2.26 0.10 0.00 -0.56 0.00 0.00 46.19 43.29 2k43 s LEU 82 CO -0.15 -0.92 0.04 -0.70 -1.06 0.00 0.00 176.35 173.56 2k43 s GLU 83 N 2.08 1.44 -0.12 1.48 2.56 0.55 -4.65 118.70 122.04 2k43 s GLU 83 Ca 0.07 -1.74 0.11 0.00 0.00 0.00 0.00 54.97 53.41 2k43 s GLU 83 Cb -0.26 -3.05 0.25 0.00 2.00 0.00 0.00 34.13 33.08 2k43 s GLU 83 CO 0.06 -0.92 1.19 -1.91 -0.56 0.00 0.00 175.26 173.12 2k43 n GLU 84 N 4.33 0.57 -1.66 4.30 0.00 -1.10 -4.62 120.64 122.46 2k43 n GLU 84 Ca 0.02 -1.56 -0.06 0.00 0.00 0.00 0.00 57.16 55.56 2k43 n GLU 84 Cb 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 31.44 31.97 2k43 n GLU 84 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2k43 n ASN 85 N -0.38 -1.84 0.00 4.31 0.23 -1.26 -3.96 115.26 112.35 2k43 n ASN 85 Ca -0.14 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.13 2k43 n ASN 85 Cb 0.85 -1.85 0.00 0.00 -2.08 0.00 0.00 39.78 36.70 2k43 n ASN 85 CO 0.00 0.00 0.00 1.57 -0.93 0.00 0.00 177.26 177.90 2k43 n HIS 86 N -1.96 0.00 -3.46 -2.53 -0.00 -1.26 -5.16 115.22 100.85 2k43 n HIS 86 Ca -0.06 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.33 2k43 n HIS 86 Cb 0.33 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.26 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 -0.95 3.49 -0.00 1.57 1.51 -1.25 -4.93 117.35 116.79 2k43 s TYR 87 Ca 0.00 0.86 -0.12 0.00 -1.01 0.00 0.00 57.07 56.80 2k43 s TYR 87 Cb 0.00 -2.24 -0.05 0.00 -0.11 0.00 0.00 41.96 39.56 2k43 s TYR 87 CO 0.00 0.36 0.36 -0.80 -1.11 0.00 0.00 175.55 174.36 2k43 s ASN 88 N -2.14 6.69 0.21 2.29 -0.87 -0.04 -0.33 114.94 120.76 2k43 s ASN 88 Ca 0.42 0.83 0.08 0.00 -1.57 0.00 0.00 52.86 52.63 2k43 s ASN 88 Cb -0.13 -2.20 -0.05 0.00 -0.02 0.00 0.00 41.25 38.86 2k43 s ASN 88 CO 0.21 0.30 -0.16 -0.89 -2.57 0.00 0.00 177.10 173.99 2k43 s THR 89 N -1.15 1.86 0.03 1.60 2.01 -0.21 -1.75 115.64 118.04 2k43 s THR 89 Ca 0.24 -2.20 0.04 0.00 0.31 0.00 0.00 61.69 60.08 2k43 s THR 89 Cb -0.15 -2.05 -0.02 0.00 0.01 0.00 0.00 72.50 70.28 2k43 s THR 89 CO 0.13 -0.53 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.09 2k43 s TYR 90 N -2.78 1.12 -0.06 4.92 2.02 -1.26 -1.16 117.35 120.15 2k43 s TYR 90 Ca 0.23 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.59 2k43 s TYR 90 Cb -0.02 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 2k43 s TYR 90 CO 0.08 0.02 -0.05 -1.50 -1.57 0.00 0.00 175.55 172.53 2k43 s ILE 91 N -0.82 3.87 -0.78 2.71 2.07 0.15 -2.98 121.20 125.43 2k43 s ILE 91 Ca 0.01 -0.45 -0.23 0.00 -1.41 0.00 0.00 60.65 58.57 2k43 s ILE 91 Cb -0.07 -2.61 0.07 0.00 0.13 0.00 0.00 42.46 39.98 2k43 s ILE 91 CO 0.01 0.57 1.12 -0.55 -1.91 0.00 0.00 174.94 174.18 2k43 s SER 92 N -0.92 6.30 0.00 4.50 0.15 -0.92 -1.41 113.70 121.41 2k43 s SER 92 Ca 0.13 -1.16 0.21 0.00 0.70 0.00 0.00 55.95 55.84 2k43 s SER 92 Cb -0.11 -2.46 1.24 0.00 -1.71 0.00 0.00 66.02 62.98 2k43 s SER 92 CO 0.03 -1.45 1.64 0.29 1.20 0.00 0.00 173.24 174.94 2k43 n LYS 93 N 7.96 0.64 0.00 5.44 5.02 -1.22 -0.94 118.16 135.06 2k43 n LYS 93 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 2k43 n LYS 93 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k43 n LYS 94 N -1.01 0.00 -2.29 1.97 3.00 -1.26 -3.13 118.16 115.44 2k43 n LYS 94 Ca 0.15 0.21 -0.40 0.00 -0.00 0.00 0.00 58.31 58.27 2k43 n LYS 94 Cb 0.08 -1.04 0.02 0.00 0.00 0.00 0.00 35.03 34.09 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 -0.79 2.74 -0.34 5.64 1.44 -1.19 -4.79 115.22 117.92 2k43 n HIS 95 Ca 0.00 -2.48 0.22 0.00 -2.01 0.00 0.00 57.72 53.45 2k43 n HIS 95 Cb 0.00 -1.28 0.45 0.00 0.12 0.00 0.00 29.99 29.28 2k43 n HIS 95 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k43 h ALA 96 N 3.82 1.95 0.00 1.59 0.00 -0.98 0.22 119.26 125.86 2k43 h ALA 96 Ca 0.56 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.61 2k43 h ALA 96 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k43 h ALA 96 CO 1.27 -0.49 -0.02 0.93 0.00 0.00 0.00 179.25 180.94 2k43 h GLU 97 N 0.43 0.00 -0.01 0.00 5.08 -1.87 -1.28 114.58 116.93 2k43 h GLU 97 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 2k43 h GLU 97 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2k43 h GLU 97 CO -0.51 0.02 -0.37 1.63 -1.00 0.00 0.00 179.01 178.78 2k43 n LYS 98 N -3.44 1.03 -1.07 2.33 4.76 0.78 -4.96 118.16 117.58 2k43 n LYS 98 Ca -0.03 -0.75 -0.03 0.00 -2.87 0.00 0.00 58.31 54.64 2k43 n LYS 98 Cb 0.11 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.81 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2k43 n ASN 99 N -0.33 -3.38 -4.82 4.39 2.85 -0.48 -5.01 115.26 108.47 2k43 n ASN 99 Ca 0.11 0.06 -0.29 0.00 -0.11 0.00 0.00 54.58 54.35 2k43 n ASN 99 Cb 0.41 -1.10 0.11 0.00 1.24 0.00 0.00 39.78 40.44 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 2k43 s TRP 100 N -2.07 2.71 0.08 1.20 0.52 -1.26 -4.96 118.94 115.16 2k43 s TRP 100 Ca 0.00 0.87 0.09 0.00 0.02 0.00 0.00 56.10 57.08 2k43 s TRP 100 Cb 0.00 -3.37 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 2k43 s TRP 100 CO 0.00 -2.08 -0.23 -0.06 0.02 0.00 0.00 176.95 174.60 2k43 s PHE 101 N -3.35 2.42 -0.32 -1.98 0.40 -1.26 -2.16 117.98 111.73 2k43 s PHE 101 Ca 0.63 -0.33 -0.15 0.00 -0.60 0.00 0.00 56.93 56.47 2k43 s PHE 101 Cb -0.14 -1.37 -0.02 0.00 0.51 0.00 0.00 43.02 42.01 2k43 s PHE 101 CO 0.52 0.26 0.38 0.54 0.70 0.00 0.00 175.22 177.63 2k43 s VAL 102 N -0.97 5.15 0.01 -0.44 0.11 -1.16 -4.70 120.40 118.40 2k43 s VAL 102 Ca 0.14 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.47 2k43 s VAL 102 Cb -0.10 -3.80 -0.01 0.00 -1.53 0.00 0.00 36.38 30.94 2k43 s VAL 102 CO 0.05 -0.03 -0.12 -0.83 -3.33 0.00 0.00 175.10 170.85 2k43 s GLY 103 N 1.71 0.62 -0.03 6.54 0.00 -1.26 -4.57 107.32 110.33 2k43 s GLY 103 Ca 0.13 -0.60 0.03 0.00 0.00 0.00 0.00 44.72 44.29 2k43 s GLY 103 CO 0.11 -0.54 -0.12 0.48 0.00 0.00 0.00 173.10 173.03 2k43 s LEU 104 N -0.60 1.84 -0.54 0.66 0.05 -1.15 -2.49 118.68 116.45 2k43 s LEU 104 Ca 0.03 -0.26 -0.18 0.00 0.05 0.00 0.00 54.13 53.77 2k43 s LEU 104 Cb -0.06 -0.73 0.09 0.00 -2.05 0.00 0.00 46.19 43.44 2k43 s LEU 104 CO 0.00 0.10 0.59 -0.75 -0.55 0.00 0.00 176.35 175.74 2k43 s LYS 105 N 0.13 3.05 0.25 1.48 2.36 -1.08 -4.57 119.74 121.35 2k43 s LYS 105 Ca -0.03 -1.26 0.04 0.00 -2.55 0.00 0.00 55.97 52.16 2k43 s LYS 105 Cb -0.10 -4.20 0.30 0.00 -1.05 0.00 0.00 37.83 32.78 2k43 s LYS 105 CO 0.01 -1.32 1.60 1.57 1.55 0.00 0.00 175.35 178.77 2k43 h LYS 106 N 9.00 0.31 0.00 4.03 2.10 -1.90 0.92 116.57 131.03 2k43 h LYS 106 Ca -0.29 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2k43 h LYS 106 Cb 1.10 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 2k43 h LYS 106 CO 1.01 0.75 0.00 -1.71 -2.00 0.00 0.00 179.45 177.50 2k43 n ASN 107 N -3.95 0.00 0.00 7.07 5.15 -1.26 -1.39 115.26 120.88 2k43 n ASN 107 Ca -0.02 0.31 0.00 0.00 -0.60 0.00 0.00 54.58 54.27 2k43 n ASN 107 Cb 0.56 -0.42 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 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 0.37 0.67 3.43 8.20 0.00 -0.70 -4.93 105.19 112.23 2k43 n GLY 108 Ca 0.06 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.55 -0.51 1.61 1.04 0.31 -2.43 113.70 114.17 2k43 s SER 109 Ca 0.00 0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.47 2k43 s SER 109 Cb 0.00 0.56 0.11 0.00 0.10 0.00 0.00 66.02 66.79 2k43 s SER 109 CO 0.00 -0.84 0.44 0.00 0.98 0.00 0.00 173.24 173.82 2k43 s LYS 111 N 1.56 0.49 -0.35 0.00 0.00 -1.26 -2.41 119.74 117.78 2k43 s LYS 111 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 55.97 55.66 2k43 s LYS 111 Cb -0.28 -2.02 0.14 0.00 0.00 0.00 0.00 37.83 35.67 2k43 s LYS 111 CO 0.03 -0.66 0.23 1.03 0.00 0.00 0.00 175.35 175.98 2k43 s ARG 112 N 1.93 0.52 -0.09 1.78 1.81 -1.04 -4.77 118.95 119.09 2k43 s ARG 112 Ca 0.00 -1.14 -0.11 0.00 -1.72 0.00 0.00 55.73 52.76 2k43 s ARG 112 Cb -0.17 -1.18 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 2k43 s ARG 112 CO -0.09 -1.18 -0.21 0.41 -0.68 0.00 0.00 175.30 173.54 2k43 n GLY 113 N 4.23 -0.39 0.00 -3.53 0.00 0.58 -4.03 105.19 102.05 2k43 n GLY 113 Ca 0.10 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.93 0.08 0.00 1.61 -0.02 -1.26 -1.96 135.00 129.52 2k43 n PRO 114 Ca -0.09 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2k43 n PRO 114 Cb 0.32 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 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 -1.32 1.11 -2.62 -0.52 3.00 -1.26 -4.92 116.66 110.13 2k43 n ARG 115 Ca 0.03 -0.33 -0.42 0.00 -0.01 0.00 0.00 57.85 57.13 2k43 n ARG 115 Cb 0.06 -0.82 -0.03 0.00 0.00 0.00 0.00 32.46 31.67 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 -0.25 3.87 -4.34 0.55 -4.23 -0.83 -3.67 115.64 106.74 2k43 s THR 116 Ca 0.00 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2k43 s THR 116 Cb 0.00 -4.86 0.00 0.00 1.34 0.00 0.00 72.50 68.98 2k43 s THR 116 CO 0.00 -1.74 0.00 1.41 -0.54 0.00 0.00 174.62 173.75 2k43 n HIS 117 N 8.96 0.00 -2.80 3.99 8.25 -1.26 -4.20 115.22 128.17 2k43 n HIS 117 Ca 0.02 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 57.04 2k43 n HIS 117 Cb 0.48 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.59 2k43 n HIS 117 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k43 s TYR 118 N -2.13 3.19 -0.14 4.41 2.02 -1.26 -3.89 117.35 119.55 2k43 s TYR 118 Ca 0.00 -1.90 -0.02 0.00 -0.37 0.00 0.00 57.07 54.78 2k43 s TYR 118 Cb 0.00 -4.50 -0.08 0.00 -0.40 0.00 0.00 41.96 36.99 2k43 s TYR 118 CO 0.00 -1.57 -0.14 0.41 -1.57 0.00 0.00 175.55 172.68 2k43 n GLY 119 N 4.69 -0.20 2.96 0.71 0.00 -1.25 -5.06 105.19 107.04 2k43 n GLY 119 Ca 0.41 -0.08 -0.15 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.26 0.40 -0.03 1.61 -1.52 -1.24 -5.02 119.66 111.60 2k43 s GLN 120 Ca -0.18 -0.24 0.06 0.00 -1.95 0.00 0.00 55.36 53.05 2k43 s GLN 120 Cb 0.06 -0.35 0.24 0.00 -0.22 0.00 0.00 33.01 32.73 2k43 s GLN 120 CO 0.29 0.09 1.07 1.63 -0.25 0.00 0.00 175.29 178.12 2k43 n LYS 121 N 2.79 1.84 0.00 2.91 4.01 -1.26 -3.24 118.16 125.21 2k43 n LYS 121 Ca -0.14 -0.94 0.12 0.00 -0.51 0.00 0.00 58.31 56.84 2k43 n LYS 121 Cb 0.58 -1.41 0.62 0.00 -0.51 0.00 0.00 35.03 34.32 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 0.21 2.25 1.44 7.82 0.00 -1.26 -1.36 120.51 129.62 2k43 n ALA 122 Ca 0.08 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.53 2k43 n ALA 122 Cb 0.34 -1.38 0.50 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.19 0.06 -3.49 0.00 5.41 -1.20 -2.95 119.36 116.00 2k43 n ILE 123 Ca 0.13 -0.27 -0.42 0.00 1.00 0.00 0.00 62.75 63.20 2k43 n ILE 123 Cb 0.15 0.43 -0.10 0.00 -0.71 0.00 0.00 39.64 39.41 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 4.90 0.13 1.39 1.43 -0.46 -4.50 118.68 119.69 2k43 s LEU 124 Ca 0.37 -0.76 0.03 0.00 -1.03 0.00 0.00 54.13 52.73 2k43 s LEU 124 Cb 0.20 -2.14 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 2k43 s LEU 124 CO 0.32 -0.38 -0.08 0.72 0.23 0.00 0.00 176.35 177.16 2k43 s PHE 125 N 1.68 1.12 -0.02 0.29 -0.12 -0.72 -1.99 117.98 118.22 2k43 s PHE 125 Ca 0.05 -0.84 0.02 0.00 -0.05 0.00 0.00 56.93 56.11 2k43 s PHE 125 Cb -0.19 -0.60 0.01 0.00 -0.63 0.00 0.00 43.02 41.61 2k43 s PHE 125 CO 0.10 -0.03 -0.07 -0.48 -0.05 0.00 0.00 175.22 174.69 2k43 s LEU 126 N -3.12 1.74 -0.43 -1.99 2.34 -0.69 -0.86 118.68 115.68 2k43 s LEU 126 Ca 0.16 -0.14 -0.13 0.00 0.06 0.00 0.00 54.13 54.08 2k43 s LEU 126 Cb 0.04 -0.44 0.06 0.00 -0.56 0.00 0.00 46.19 45.29 2k43 s LEU 126 CO -0.01 0.04 0.30 -2.16 -1.06 0.00 0.00 176.35 173.46 2k43 s PRO 127 N 0.27 2.83 -0.17 1.48 0.04 -1.26 -2.45 135.00 135.74 2k43 s PRO 127 Ca -0.04 -1.28 -0.04 0.00 0.04 0.00 0.00 61.00 59.69 2k43 s PRO 127 Cb -0.08 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 2k43 s PRO 127 CO 0.00 -0.90 -0.03 -1.17 0.04 0.00 0.00 177.00 174.95 2k43 s LEU 128 N 1.56 3.21 0.42 -3.56 2.96 -1.12 -4.88 118.68 117.27 2k43 s LEU 128 Ca 0.03 -0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 53.61 2k43 s LEU 128 Cb -0.22 -1.79 -0.08 0.00 0.50 0.00 0.00 46.19 44.60 2k43 s LEU 128 CO 0.06 0.12 0.86 -2.16 -1.32 0.00 0.00 176.35 173.91 2k43 s PRO 129 N 0.63 3.96 0.23 0.98 0.04 -1.26 0.28 135.00 139.87 2k43 s PRO 129 Ca -0.02 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 61.69 2k43 s PRO 129 Cb -0.14 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2k43 s PRO 129 CO 0.02 -0.06 0.57 0.08 0.04 0.00 0.00 177.00 177.66 2k43 s VAL 130 N -2.32 4.89 -0.21 -0.36 1.01 -1.06 -4.84 120.40 117.51 2k43 s VAL 130 Ca 0.56 0.57 -0.05 0.00 0.00 0.00 0.00 61.98 63.07 2k43 s VAL 130 Cb -0.10 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 2k43 s VAL 130 CO 0.25 -0.05 -0.01 -0.44 0.00 0.00 0.00 175.10 174.84 2k43 s SER 131 N -2.28 4.62 -0.95 3.32 0.01 -1.26 -4.11 113.70 113.05 2k43 s SER 131 Ca 0.47 -0.28 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 2k43 s SER 131 Cb -0.11 -1.79 0.24 0.00 0.21 0.00 0.00 66.02 64.56 2k43 s SER 131 CO 0.20 0.02 0.87 -0.44 0.41 0.00 0.00 173.24 174.31 2k43 s SER 132 N 1.23 6.40 0.00 2.44 0.01 -1.25 -5.09 113.70 117.44 2k43 s SER 132 Ca 0.03 -3.62 0.00 0.00 1.31 0.00 0.00 55.95 53.67 2k43 s SER 132 Cb -0.15 -2.01 0.00 0.00 0.21 0.00 0.00 66.02 64.08 2k43 s SER 132 CO 0.00 -0.23 0.34 -0.67 0.41 0.00 0.00 173.24 173.09