#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 3.04 0.12 -0.72 1.02 -1.25 -4.91 119.74 117.03 2k43 s LYS 2 Ca 0.00 -0.83 -0.05 0.00 0.02 0.00 0.00 55.97 55.12 2k43 s LYS 2 Cb 0.00 -2.71 -0.13 0.00 -0.52 0.00 0.00 37.83 34.47 2k43 s LYS 2 CO 0.00 0.48 1.27 0.87 -0.92 0.00 0.00 175.35 177.05 2k43 h LYS 3 N 2.21 0.39 -4.99 1.68 1.57 -1.97 -2.78 116.57 112.69 2k43 h LYS 3 Ca -0.48 -0.45 -0.66 0.00 -1.87 0.00 0.00 60.65 57.18 2k43 h LYS 3 Cb 1.20 0.14 0.04 0.00 0.08 0.00 0.00 32.23 33.69 2k43 h LYS 3 CO 0.64 1.13 0.09 -2.30 -0.57 0.00 0.00 179.45 178.44 2k43 n PRO 4 N -3.71 0.00 -2.57 3.15 -0.01 -1.26 -4.40 135.00 126.21 2k43 n PRO 4 Ca -0.07 0.00 -0.23 0.00 -0.01 0.00 0.00 63.50 63.19 2k43 n PRO 4 Cb 0.87 -1.25 0.04 0.00 -0.01 0.00 0.00 33.50 33.15 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 0.18 2.59 0.17 -0.52 1.02 0.27 -2.53 119.74 120.91 2k43 s LYS 5 Ca 0.76 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.24 2k43 s LYS 5 Cb -1.07 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2k43 s LYS 5 CO 0.49 -0.76 0.33 -1.17 -0.92 0.00 0.00 175.35 173.31 2k43 s LEU 6 N -4.87 4.29 -0.02 3.17 2.96 0.32 -1.29 118.68 123.24 2k43 s LEU 6 Ca 0.56 0.28 -0.26 0.00 -0.22 0.00 0.00 54.13 54.49 2k43 s LEU 6 Cb -0.10 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 2k43 s LEU 6 CO 0.40 0.02 0.82 -0.22 -1.32 0.00 0.00 176.35 176.05 2k43 s LEU 7 N -3.22 4.36 -0.59 -0.68 2.96 -1.26 -3.31 118.68 116.94 2k43 s LEU 7 Ca 0.36 1.41 -0.26 0.00 -0.22 0.00 0.00 54.13 55.43 2k43 s LEU 7 Cb -0.11 -3.30 0.04 0.00 0.50 0.00 0.00 46.19 43.32 2k43 s LEU 7 CO 0.29 -0.15 1.08 -0.72 -1.32 0.00 0.00 176.35 175.52 2k43 s TYR 8 N 0.74 2.66 0.21 5.38 -0.85 -1.25 -3.99 117.35 120.25 2k43 s TYR 8 Ca 0.43 0.12 -0.24 0.00 -0.52 0.00 0.00 57.07 56.86 2k43 s TYR 8 Cb -0.19 -4.32 -0.08 0.00 0.38 0.00 0.00 41.96 37.74 2k43 s TYR 8 CO 0.23 -1.54 0.80 0.00 -1.52 0.00 0.00 175.55 173.52 2k43 s SER 10 N -1.33 6.90 -0.59 0.00 0.01 -1.15 -3.62 113.70 113.91 2k43 s SER 10 Ca 0.40 1.72 -0.28 0.00 1.31 0.00 0.00 55.95 59.10 2k43 s SER 10 Cb -0.21 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.49 2k43 s SER 10 CO 0.25 -0.39 1.44 0.21 0.41 0.00 0.00 173.24 175.16 2k43 s ASN 11 N -2.13 6.05 0.05 2.44 2.47 -1.26 -4.04 114.94 118.52 2k43 s ASN 11 Ca 0.62 0.19 0.00 0.00 0.42 0.00 0.00 52.86 54.09 2k43 s ASN 11 Cb -0.10 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.15 2k43 s ASN 11 CO 0.14 -1.79 0.00 0.61 -3.72 0.00 0.00 177.10 172.34 2k43 n GLY 12 N 5.32 -0.47 0.00 1.21 0.00 -1.26 -5.11 105.19 104.88 2k43 n GLY 12 Ca 0.12 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.03 0.87 3.23 -0.02 0.00 -1.26 -5.15 105.19 102.83 2k43 n GLY 13 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 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 1.28 -0.01 1.61 3.76 -1.26 -4.15 115.29 116.52 2k43 s HIS 14 Ca 0.00 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2k43 s HIS 14 Cb 0.00 -0.67 -0.00 0.00 1.11 0.00 0.00 32.58 33.02 2k43 s HIS 14 CO 0.00 0.10 0.03 -0.06 -0.85 0.00 0.00 174.74 173.96 2k43 s PHE 15 N -2.48 0.04 -0.08 1.40 0.08 -0.52 -4.12 117.98 112.29 2k43 s PHE 15 Ca 0.10 -0.06 -0.30 0.00 0.12 0.00 0.00 56.93 56.79 2k43 s PHE 15 Cb -0.03 -0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.36 2k43 s PHE 15 CO 0.02 -0.08 1.18 -1.17 -0.10 0.00 0.00 175.22 175.07 2k43 s LEU 16 N -0.43 4.26 0.02 -0.37 2.96 -1.20 0.37 118.68 124.29 2k43 s LEU 16 Ca -0.05 1.75 0.09 0.00 -0.22 0.00 0.00 54.13 55.70 2k43 s LEU 16 Cb -0.03 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.08 2k43 s LEU 16 CO -0.00 -0.59 -0.26 -0.13 -1.32 0.00 0.00 176.35 174.04 2k43 s ARG 17 N 2.39 1.93 -0.12 1.98 0.52 0.13 -3.81 118.95 121.97 2k43 s ARG 17 Ca 0.54 -1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 54.60 2k43 s ARG 17 Cb -0.23 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 2k43 s ARG 17 CO 0.20 0.53 0.25 0.96 0.02 0.00 0.00 175.30 177.26 2k43 s ILE 18 N -0.72 5.32 -0.02 1.52 -4.36 -1.24 -2.92 121.20 118.77 2k43 s ILE 18 Ca 0.11 0.46 -0.00 0.00 -0.26 0.00 0.00 60.65 60.96 2k43 s ILE 18 Cb -0.10 -3.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.01 2k43 s ILE 18 CO 0.01 0.50 0.04 -0.76 0.24 0.00 0.00 174.94 174.97 2k43 s LEU 19 N -0.26 3.73 0.00 0.37 1.43 -1.24 -5.00 118.68 117.71 2k43 s LEU 19 Ca 0.16 0.10 0.14 0.00 -1.03 0.00 0.00 54.13 53.51 2k43 s LEU 19 Cb -0.13 -2.10 0.85 0.00 0.03 0.00 0.00 46.19 44.84 2k43 s LEU 19 CO 0.05 0.30 1.34 -2.65 0.23 0.00 0.00 176.35 175.61 2k43 n PRO 20 N 1.44 0.69 0.19 1.29 -0.02 -1.26 -1.19 135.00 136.14 2k43 n PRO 20 Ca -0.15 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.47 2k43 n PRO 20 Cb 0.53 -1.32 0.44 0.00 -0.02 0.00 0.00 33.50 33.12 2k43 n PRO 20 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2k43 h ASP 21 N 0.00 0.00 0.00 2.55 5.19 -1.94 -3.47 116.42 118.74 2k43 h ASP 21 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2k43 h ASP 21 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2k43 h ASP 21 CO 0.00 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.73 2k43 n GLY 22 N 0.61 0.83 3.31 2.75 0.00 -0.33 -5.00 105.19 107.36 2k43 n GLY 22 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.33 2.33 -0.53 2.61 2.01 -0.75 -2.99 115.64 116.99 2k43 s THR 23 Ca 0.00 -0.97 -0.15 0.00 0.31 0.00 0.00 61.69 60.88 2k43 s THR 23 Cb 0.00 -1.87 0.13 0.00 0.01 0.00 0.00 72.50 70.77 2k43 s THR 23 CO 0.00 0.57 0.48 -0.69 -0.69 0.00 0.00 174.62 174.29 2k43 s VAL 24 N -0.21 5.09 0.06 3.82 1.01 -1.26 -3.63 120.40 125.28 2k43 s VAL 24 Ca -0.01 -1.52 0.04 0.00 0.00 0.00 0.00 61.98 60.48 2k43 s VAL 24 Cb -0.13 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2k43 s VAL 24 CO 0.03 -0.85 -0.11 1.51 0.00 0.00 0.00 175.10 175.68 2k43 s ASP 25 N 3.47 1.27 -0.02 3.32 -4.77 -1.15 -0.12 116.67 118.67 2k43 s ASP 25 Ca 0.03 -0.60 -0.20 0.00 -3.30 0.00 0.00 52.55 48.48 2k43 s ASP 25 Cb -0.29 -0.00 -0.05 0.00 -1.09 0.00 0.00 42.92 41.48 2k43 s ASP 25 CO 0.03 -0.15 0.58 -0.83 0.70 0.00 0.00 175.17 175.49 2k43 s GLY 26 N -1.71 2.57 -0.06 2.12 0.00 -0.46 0.19 107.32 109.97 2k43 s GLY 26 Ca -0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 44.72 44.57 2k43 s GLY 26 CO 0.01 0.75 0.24 -1.59 0.00 0.00 0.00 173.10 172.51 2k43 s THR 27 N -0.05 0.03 -0.50 0.90 2.01 0.16 -4.42 115.64 113.77 2k43 s THR 27 Ca 0.30 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.85 2k43 s THR 27 Cb -0.18 -0.42 0.04 0.00 0.01 0.00 0.00 72.50 71.95 2k43 s THR 27 CO 0.16 -0.12 0.84 0.00 -0.69 0.00 0.00 174.62 174.80 2k43 s ARG 28 N -0.43 3.35 -0.15 4.92 1.70 -1.26 -1.44 118.95 125.63 2k43 s ARG 28 Ca -0.05 -0.25 -0.05 0.00 -0.47 0.00 0.00 55.73 54.91 2k43 s ARG 28 Cb -0.04 -4.00 0.08 0.00 -0.57 0.00 0.00 34.95 30.42 2k43 s ARG 28 CO 0.01 -1.28 0.29 0.34 -1.08 0.00 0.00 175.30 173.57 2k43 s ASP 29 N 2.49 0.38 -0.09 -2.89 2.15 -1.26 -4.97 116.67 112.48 2k43 s ASP 29 Ca 0.29 0.53 0.13 0.00 0.43 0.00 0.00 52.55 53.93 2k43 s ASP 29 Cb -0.13 0.78 0.20 0.00 -0.30 0.00 0.00 42.92 43.47 2k43 s ASP 29 CO 0.20 -0.25 1.10 -2.11 -0.17 0.00 0.00 175.17 173.94 2k43 n ARG 30 N 5.35 0.94 0.10 4.34 0.00 -1.26 -4.67 116.66 121.46 2k43 n ARG 30 Ca -0.06 -2.11 0.10 0.00 -0.00 0.00 0.00 57.85 55.78 2k43 n ARG 30 Cb 0.50 -1.21 -0.00 0.00 -0.00 0.00 0.00 32.46 31.74 2k43 n ARG 30 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 2k43 h SER 31 N 0.00 0.00 -4.36 2.89 0.02 -2.02 -3.47 113.55 106.61 2k43 h SER 31 Ca 0.00 0.00 -0.40 0.00 -0.84 0.00 0.00 61.79 60.55 2k43 h SER 31 Cb 1.10 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.58 2k43 h SER 31 CO 0.00 0.09 -0.27 -0.67 -1.14 0.00 0.00 176.83 174.83 2k43 n ASP 32 N -2.73 2.74 -3.52 3.07 -0.08 -1.26 -5.06 116.55 109.70 2k43 n ASP 32 Ca -0.01 -2.34 -0.36 0.00 -1.51 0.00 0.00 54.79 50.57 2k43 n ASP 32 Cb 0.59 0.18 -0.01 0.00 2.34 0.00 0.00 41.12 44.22 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 -0.87 4.37 -0.02 -0.67 10.64 -1.26 -4.54 117.38 125.03 2k43 n GLN 33 Ca -0.11 -4.70 0.00 0.00 -1.83 0.00 0.00 57.00 50.37 2k43 n GLN 33 Cb 0.39 -2.40 -0.06 0.00 -0.86 0.00 0.00 30.24 27.31 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 0.29 0.00 -0.12 2.61 8.25 -1.26 -4.73 115.22 120.26 2k43 n HIS 34 Ca 0.37 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.87 2k43 n HIS 34 Cb 0.32 -0.28 0.24 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.02 1.64 -3.34 1.59 -0.00 -1.25 -3.71 119.36 112.27 2k43 n ILE 35 Ca -0.07 -0.83 -0.46 0.00 -0.00 0.00 0.00 62.75 61.40 2k43 n ILE 35 Cb 0.47 -0.36 -0.05 0.00 -0.00 0.00 0.00 39.64 39.70 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -2.04 2.99 0.02 6.28 -2.07 -1.26 -4.05 119.66 119.53 2k43 s GLN 36 Ca 0.33 -1.79 0.06 0.00 -1.82 0.00 0.00 55.36 52.14 2k43 s GLN 36 Cb 0.25 -4.27 -0.03 0.00 -1.09 0.00 0.00 33.01 27.87 2k43 s GLN 36 CO 0.10 -1.31 -0.17 -0.48 -1.32 0.00 0.00 175.29 172.11 2k43 s LEU 37 N 1.44 2.66 -0.49 2.60 2.34 -0.41 -2.41 118.68 124.41 2k43 s LEU 37 Ca 0.05 -0.37 -0.22 0.00 0.06 0.00 0.00 54.13 53.65 2k43 s LEU 37 Cb -0.28 -1.55 0.04 0.00 -0.56 0.00 0.00 46.19 43.84 2k43 s LEU 37 CO 0.02 0.27 0.74 -1.58 -1.06 0.00 0.00 176.35 174.74 2k43 s GLN 38 N -1.32 3.27 -0.55 1.48 2.00 0.19 0.95 119.66 125.68 2k43 s GLN 38 Ca 0.14 -0.45 -0.06 0.00 -2.00 0.00 0.00 55.36 52.99 2k43 s GLN 38 Cb -0.11 -4.02 0.14 0.00 0.80 0.00 0.00 33.01 29.83 2k43 s GLN 38 CO 0.05 -1.22 0.39 -0.51 -0.50 0.00 0.00 175.29 173.50 2k43 s LEU 39 N 3.15 5.57 0.42 3.68 1.43 -1.26 -0.62 118.68 131.05 2k43 s LEU 39 Ca 0.24 -2.35 0.07 0.00 -1.03 0.00 0.00 54.13 51.07 2k43 s LEU 39 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 2k43 s LEU 39 CO 0.18 -0.54 0.29 -0.44 0.23 0.00 0.00 176.35 176.06 2k43 s SER 40 N 1.76 4.74 -0.48 2.29 0.01 -1.11 -4.93 113.70 115.98 2k43 s SER 40 Ca 0.11 -0.93 -0.05 0.00 1.31 0.00 0.00 55.95 56.40 2k43 s SER 40 Cb -0.22 -0.48 0.13 0.00 0.21 0.00 0.00 66.02 65.66 2k43 s SER 40 CO -0.03 -0.62 0.31 0.00 0.41 0.00 0.00 173.24 173.30 2k43 s ALA 41 N -2.55 3.33 -0.19 1.44 0.00 -1.26 -0.73 121.76 121.80 2k43 s ALA 41 Ca 0.44 -2.71 -0.10 0.00 0.00 0.00 0.00 51.96 49.59 2k43 s ALA 41 Cb 0.00 -2.61 -0.21 0.00 0.00 0.00 0.00 23.12 20.30 2k43 s ALA 41 CO 0.25 -1.91 0.12 -1.91 0.00 0.00 0.00 175.76 172.32 2k43 n GLU 42 N 4.43 0.67 -4.63 0.00 4.07 -1.16 -4.76 120.64 119.27 2k43 n GLU 42 Ca -0.01 0.32 -0.33 0.00 -0.06 0.00 0.00 57.16 57.08 2k43 n GLU 42 Cb 0.41 -1.66 -0.11 0.00 -0.06 0.00 0.00 31.44 30.02 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 -6.96 4.55 -0.04 4.31 0.01 -1.25 -5.04 113.70 109.27 2k43 s SER 43 Ca -0.29 -0.07 -0.31 0.00 1.31 0.00 0.00 55.95 56.59 2k43 s SER 43 Cb 0.08 -1.10 -0.09 0.00 0.21 0.00 0.00 66.02 65.12 2k43 s SER 43 CO 0.66 0.34 2.00 0.52 0.41 0.00 0.00 173.24 177.17 2k43 n VAL 44 N 2.08 0.65 0.00 3.43 0.31 -1.26 -0.15 118.33 123.38 2k43 n VAL 44 Ca -0.17 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 63.97 2k43 n VAL 44 Cb 0.53 -2.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.23 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 4.76 2.93 3.79 2.92 0.00 -1.26 -5.03 105.19 113.31 2k43 n GLY 45 Ca 0.23 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 2k43 n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k43 s GLU 46 N 0.00 4.43 -0.05 1.61 0.41 0.78 -1.48 118.70 124.40 2k43 s GLU 46 Ca 0.00 1.00 0.00 0.00 -0.41 0.00 0.00 54.97 55.57 2k43 s GLU 46 Cb 0.00 -3.24 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2k43 s GLU 46 CO 0.00 0.59 -0.03 0.14 -0.49 0.00 0.00 175.26 175.47 2k43 s VAL 47 N -1.14 4.01 -0.17 2.63 -7.23 0.57 -2.97 120.40 116.10 2k43 s VAL 47 Ca 0.33 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2k43 s VAL 47 Cb -0.22 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 34.03 2k43 s VAL 47 CO 0.24 0.53 -0.17 -0.47 -0.31 0.00 0.00 175.10 174.92 2k43 s TYR 48 N -0.92 2.79 -0.52 2.82 5.04 0.09 -2.32 117.35 124.33 2k43 s TYR 48 Ca 0.15 -1.33 -0.16 0.00 -2.44 0.00 0.00 57.07 53.28 2k43 s TYR 48 Cb -0.11 -1.92 0.10 0.00 0.35 0.00 0.00 41.96 40.38 2k43 s TYR 48 CO 0.04 -0.65 0.49 0.42 -1.34 0.00 0.00 175.55 174.52 2k43 s ILE 49 N 1.11 5.15 0.12 3.14 1.09 -1.26 -2.75 121.20 127.80 2k43 s ILE 49 Ca 0.00 -1.23 0.06 0.00 -1.10 0.00 0.00 60.65 58.38 2k43 s ILE 49 Cb -0.14 -4.28 -0.04 0.00 -1.06 0.00 0.00 42.46 36.94 2k43 s ILE 49 CO -0.06 -0.79 0.01 -0.54 -0.10 0.00 0.00 174.94 173.45 2k43 s LYS 50 N 1.80 2.52 -0.05 2.79 1.02 0.20 -4.68 119.74 123.35 2k43 s LYS 50 Ca 0.05 -0.92 -0.27 0.00 0.02 0.00 0.00 55.97 54.85 2k43 s LYS 50 Cb -0.27 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2k43 s LYS 50 CO 0.05 0.51 0.85 -1.54 -0.92 0.00 0.00 175.35 174.30 2k43 s SER 51 N -2.55 7.17 0.00 2.83 1.04 -1.22 0.57 113.70 121.54 2k43 s SER 51 Ca 0.26 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2k43 s SER 51 Cb -0.11 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2k43 s SER 51 CO 0.19 -0.22 0.00 0.41 0.98 0.00 0.00 173.24 174.60 2k43 n THR 52 N 3.94 0.00 -0.08 2.02 -1.04 -1.21 -4.70 114.28 113.21 2k43 n THR 52 Ca 0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.82 2k43 n THR 52 Cb 0.51 -0.12 -0.12 0.00 -1.82 0.00 0.00 70.33 68.78 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 -0.30 -2.82 4.07 -1.26 -4.62 120.64 116.33 2k43 n GLU 53 Ca 0.00 0.47 0.09 0.00 -0.06 0.00 0.00 57.16 57.66 2k43 n GLU 53 Cb 0.00 -1.73 0.21 0.00 -0.06 0.00 0.00 31.44 29.86 2k43 n GLU 53 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2k43 n THR 54 N -4.16 2.05 0.08 6.31 5.66 -1.26 -4.90 114.28 118.07 2k43 n THR 54 Ca -0.33 -1.93 0.09 0.00 -3.05 0.00 0.00 64.05 58.83 2k43 n THR 54 Cb 0.79 -0.19 -0.03 0.00 -1.55 0.00 0.00 70.33 69.35 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k43 n GLY 55 N -0.75 -1.36 0.00 1.09 0.00 -1.01 -4.48 105.19 98.68 2k43 n GLY 55 Ca 0.18 -0.23 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 -2.69 0.00 -2.51 1.61 1.13 -1.11 -4.39 117.38 109.43 2k43 n GLN 56 Ca -0.03 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.62 2k43 n GLN 56 Cb 0.62 0.00 0.01 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 -1.31 2.73 -2.45 1.08 4.19 -0.95 -3.09 117.16 117.36 2k43 n TYR 57 Ca 0.00 -2.62 -0.43 0.00 3.31 0.00 0.00 57.90 58.17 2k43 n TYR 57 Cb 0.00 -1.33 -0.02 0.00 0.49 0.00 0.00 39.34 38.47 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 0.91 0.00 0.00 176.86 176.60 2k43 s LEU 58 N -3.86 3.94 -0.18 2.98 0.20 -1.24 -3.58 118.68 116.94 2k43 s LEU 58 Ca 0.42 1.28 -0.02 0.00 0.69 0.00 0.00 54.13 56.50 2k43 s LEU 58 Cb 0.19 -3.54 0.05 0.00 -0.43 0.00 0.00 46.19 42.46 2k43 s LEU 58 CO -0.12 -0.99 0.01 0.00 -0.29 0.00 0.00 176.35 174.96 2k43 s ALA 59 N 4.11 1.12 -0.05 5.97 0.00 -0.94 -2.43 121.76 129.53 2k43 s ALA 59 Ca 0.54 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.55 2k43 s ALA 59 Cb -0.17 -1.15 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 2k43 s ALA 59 CO 0.20 -1.06 0.72 1.41 0.00 0.00 0.00 175.76 177.03 2k43 s MET 60 N 1.80 4.45 -0.36 0.00 1.75 -1.21 -1.41 119.30 124.31 2k43 s MET 60 Ca -0.01 0.93 -0.10 0.00 -1.25 0.00 0.00 55.69 55.26 2k43 s MET 60 Cb -0.17 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.09 2k43 s MET 60 CO -0.07 0.08 0.19 0.16 -0.65 0.00 0.00 175.02 174.73 2k43 s ASP 61 N 0.71 5.67 0.00 1.11 -4.77 0.52 -4.60 116.67 115.32 2k43 s ASP 61 Ca 0.38 -0.94 0.00 0.00 -3.30 0.00 0.00 52.55 48.70 2k43 s ASP 61 Cb -0.18 -2.01 0.00 0.00 -1.09 0.00 0.00 42.92 39.64 2k43 s ASP 61 CO 0.19 -0.35 0.00 0.35 0.70 0.00 0.00 175.17 176.06 2k43 n THR 62 N 4.98 0.00 0.00 2.11 -2.24 -1.26 -2.25 114.28 115.62 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 1.12 0.00 -0.10 3.42 2.03 -1.26 -4.44 116.55 117.31 2k43 n ASP 63 Ca 0.00 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.18 2k43 n ASP 63 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 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 0.00 -0.66 3.12 0.27 0.00 -0.95 -3.05 105.19 103.92 2k43 n GLY 64 Ca 0.00 -0.24 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -5.83 2.21 -0.04 0.99 1.43 -1.25 0.50 118.68 116.69 2k43 s LEU 65 Ca -0.20 -0.98 -0.02 0.00 -1.03 0.00 0.00 54.13 51.91 2k43 s LEU 65 Cb 0.07 0.35 0.03 0.00 0.03 0.00 0.00 46.19 46.67 2k43 s LEU 65 CO 0.67 -0.64 0.05 -1.48 0.23 0.00 0.00 176.35 175.18 2k43 s LEU 66 N -2.93 0.25 0.05 1.79 0.05 -1.26 -0.35 118.68 116.27 2k43 s LEU 66 Ca 0.09 0.06 0.07 0.00 0.05 0.00 0.00 54.13 54.40 2k43 s LEU 66 Cb 0.07 -0.17 -0.02 0.00 -2.05 0.00 0.00 46.19 44.02 2k43 s LEU 66 CO -0.08 -0.24 -0.19 -0.72 -0.55 0.00 0.00 176.35 174.57 2k43 s TYR 67 N 2.08 1.64 0.15 3.48 1.13 -0.50 -4.51 117.35 120.82 2k43 s TYR 67 Ca 0.04 -0.37 -0.25 0.00 -1.41 0.00 0.00 57.07 55.08 2k43 s TYR 67 Cb -0.12 -0.97 0.07 0.00 -1.10 0.00 0.00 41.96 39.84 2k43 s TYR 67 CO -0.03 0.08 1.02 0.20 -2.51 0.00 0.00 175.55 174.31 2k43 s GLY 68 N -1.21 -0.15 0.25 5.49 0.00 -1.16 -2.22 107.32 108.31 2k43 s GLY 68 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.82 2k43 s GLY 68 CO 0.02 0.69 0.00 1.44 0.00 0.00 0.00 173.10 175.24 2k43 n SER 69 N -0.69 -1.16 -0.03 1.64 7.64 -1.25 -1.81 113.62 117.95 2k43 n SER 69 Ca -0.05 0.44 -0.22 0.00 1.01 0.00 0.00 58.87 60.05 2k43 n SER 69 Cb 0.61 1.24 -0.13 0.00 -1.01 0.00 0.00 64.21 64.92 2k43 n SER 69 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2k43 h GLN 70 N 0.00 0.16 -4.69 1.43 1.08 -1.88 -2.47 115.11 108.75 2k43 h GLN 70 Ca 0.00 -0.28 -0.36 0.00 -1.45 0.00 0.00 58.65 56.56 2k43 h GLN 70 Cb 0.00 0.10 -0.26 0.00 -0.05 0.00 0.00 27.48 27.27 2k43 h GLN 70 CO 0.00 1.13 -0.77 0.99 -0.95 0.00 0.00 178.83 179.24 2k43 s THR 71 N -2.47 0.67 -0.39 -0.54 2.01 -1.21 -4.49 115.64 109.22 2k43 s THR 71 Ca -0.24 -0.59 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2k43 s THR 71 Cb 0.06 -0.61 0.07 0.00 0.01 0.00 0.00 72.50 72.03 2k43 s THR 71 CO 0.70 0.03 0.21 -2.16 -0.69 0.00 0.00 174.62 172.71 2k43 s PRO 72 N -0.63 2.57 0.75 4.92 0.04 -1.18 -3.54 135.00 137.93 2k43 s PRO 72 Ca 0.00 -1.40 -0.01 0.00 0.04 0.00 0.00 61.00 59.63 2k43 s PRO 72 Cb -0.05 -3.67 0.15 0.00 0.04 0.00 0.00 34.50 30.97 2k43 s PRO 72 CO 0.00 -0.87 1.03 0.09 0.04 0.00 0.00 177.00 177.29 2k43 n ASN 73 N 4.86 1.27 -4.27 6.66 5.03 -1.26 -4.94 115.26 122.61 2k43 n ASN 73 Ca -0.10 -2.10 -0.43 0.00 0.87 0.00 0.00 54.58 52.82 2k43 n ASN 73 Cb 0.43 -0.68 -0.07 0.00 -1.02 0.00 0.00 39.78 38.44 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2k43 s GLU 74 N -5.20 2.74 0.00 3.52 -1.05 -1.26 -3.51 118.70 113.95 2k43 s GLU 74 Ca 0.68 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2k43 s GLU 74 Cb -0.04 -4.08 0.00 0.00 -0.44 0.00 0.00 34.13 29.57 2k43 s GLU 74 CO 0.45 -1.21 0.00 0.39 0.95 0.00 0.00 175.26 175.84 2k43 n GLU 75 N 5.08 3.41 0.00 -4.83 -0.58 -1.26 -4.83 120.64 117.63 2k43 n GLU 75 Ca -0.11 0.00 0.16 0.00 -0.42 0.00 0.00 57.16 56.79 2k43 n GLU 75 Cb 0.41 -0.72 0.94 0.00 -0.57 0.00 0.00 31.44 31.50 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 -2.01 4.33 0.22 0.00 1.43 -1.26 -4.32 118.68 117.08 2k43 s LEU 77 Ca 0.47 2.26 0.07 0.00 -1.03 0.00 0.00 54.13 55.90 2k43 s LEU 77 Cb 0.22 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 2k43 s LEU 77 CO 0.37 -0.83 -0.12 -0.36 0.23 0.00 0.00 176.35 175.63 2k43 s PHE 78 N 2.96 1.77 -0.11 0.29 0.08 -0.98 -3.21 117.98 118.78 2k43 s PHE 78 Ca 0.69 -0.61 -0.11 0.00 0.12 0.00 0.00 56.93 57.02 2k43 s PHE 78 Cb -0.34 -0.88 -0.05 0.00 -0.57 0.00 0.00 43.02 41.18 2k43 s PHE 78 CO 0.29 0.34 0.25 -1.17 -0.10 0.00 0.00 175.22 174.83 2k43 s LEU 79 N -3.35 4.34 -0.21 -0.37 0.20 0.42 -0.32 118.68 119.40 2k43 s LEU 79 Ca 0.24 0.58 -0.14 0.00 0.69 0.00 0.00 54.13 55.50 2k43 s LEU 79 Cb 0.00 -2.29 -0.04 0.00 -0.43 0.00 0.00 46.19 43.43 2k43 s LEU 79 CO 0.08 0.26 0.30 -0.70 -0.29 0.00 0.00 176.35 176.01 2k43 s GLU 80 N -0.41 4.16 -0.07 1.98 2.12 -0.55 -0.15 118.70 125.78 2k43 s GLU 80 Ca 0.17 0.03 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2k43 s GLU 80 Cb -0.13 -3.52 0.02 0.00 0.26 0.00 0.00 34.13 30.75 2k43 s GLU 80 CO 0.06 0.04 -0.11 0.50 -0.54 0.00 0.00 175.26 175.20 2k43 s ARG 81 N 1.09 1.66 -0.22 4.30 6.06 -0.42 -4.97 118.95 126.46 2k43 s ARG 81 Ca 0.15 -0.39 -0.10 0.00 -2.50 0.00 0.00 55.73 52.89 2k43 s ARG 81 Cb -0.14 -1.43 -0.05 0.00 0.06 0.00 0.00 34.95 33.40 2k43 s ARG 81 CO 0.06 -0.02 0.14 -0.51 -2.50 0.00 0.00 175.30 172.47 2k43 s LEU 82 N 0.82 4.10 0.15 -0.88 1.43 -1.26 0.36 118.68 123.41 2k43 s LEU 82 Ca -0.12 0.15 -0.14 0.00 -1.03 0.00 0.00 54.13 52.99 2k43 s LEU 82 Cb -0.15 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.92 2k43 s LEU 82 CO 0.02 0.12 0.55 -0.70 0.23 0.00 0.00 176.35 176.56 2k43 s GLU 83 N 0.73 3.97 0.00 1.70 -6.30 -0.08 -4.92 118.70 113.80 2k43 s GLU 83 Ca 0.07 0.48 0.26 0.00 -2.50 0.00 0.00 54.97 53.28 2k43 s GLU 83 Cb -0.12 -2.93 0.67 0.00 0.00 0.00 0.00 34.13 31.74 2k43 s GLU 83 CO 0.02 0.48 1.53 0.39 0.02 0.00 0.00 175.26 177.69 2k43 n GLU 84 N 0.79 1.97 -1.02 4.30 1.02 -1.26 -3.06 120.64 123.38 2k43 n GLU 84 Ca -0.05 -1.41 -0.22 0.00 -0.02 0.00 0.00 57.16 55.46 2k43 n GLU 84 Cb 0.52 -1.47 0.07 0.00 -0.02 0.00 0.00 31.44 30.54 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 0.70 6.29 -2.72 1.62 5.15 -1.26 -4.81 115.26 120.23 2k43 n ASN 85 Ca 0.17 -3.29 -0.17 0.00 -0.60 0.00 0.00 54.58 50.69 2k43 n ASN 85 Cb 0.46 -0.97 0.06 0.00 -0.53 0.00 0.00 39.78 38.80 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 -0.23 -2.03 -4.14 1.20 8.25 -1.25 -5.03 115.22 112.00 2k43 n HIS 86 Ca 0.42 0.72 -0.10 0.00 -0.26 0.00 0.00 57.72 58.51 2k43 n HIS 86 Cb 0.74 -3.93 -0.10 0.00 1.12 0.00 0.00 29.99 27.82 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 -3.23 0.78 0.08 4.41 2.02 -1.17 -4.98 117.35 115.26 2k43 s TYR 87 Ca 0.38 -0.93 0.10 0.00 -0.37 0.00 0.00 57.07 56.25 2k43 s TYR 87 Cb -0.17 -0.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.88 2k43 s TYR 87 CO 0.52 -0.20 -0.26 0.54 -1.57 0.00 0.00 175.55 174.58 2k43 s ASN 88 N -2.92 3.18 0.24 2.29 2.20 -0.96 -0.90 114.94 118.07 2k43 s ASN 88 Ca 0.09 -0.66 0.07 0.00 -0.94 0.00 0.00 52.86 51.42 2k43 s ASN 88 Cb 0.05 -0.25 -0.05 0.00 -2.00 0.00 0.00 41.25 39.00 2k43 s ASN 88 CO -0.06 0.22 -0.10 -0.89 -2.94 0.00 0.00 177.10 173.33 2k43 s THR 89 N -0.92 1.66 -0.02 0.54 2.01 0.16 -2.07 115.64 117.00 2k43 s THR 89 Ca 0.12 -2.17 -0.03 0.00 0.31 0.00 0.00 61.69 59.93 2k43 s THR 89 Cb -0.10 -2.24 0.00 0.00 0.01 0.00 0.00 72.50 70.17 2k43 s THR 89 CO 0.04 -0.45 0.07 -0.31 -0.69 0.00 0.00 174.62 173.28 2k43 s TYR 90 N -3.01 -0.01 0.15 4.92 2.02 -1.26 -1.30 117.35 118.86 2k43 s TYR 90 Ca 0.26 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 57.06 2k43 s TYR 90 Cb 0.02 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.52 2k43 s TYR 90 CO 0.09 -0.10 0.09 -1.50 -1.57 0.00 0.00 175.55 172.56 2k43 s ILE 91 N -0.38 4.26 -0.60 2.71 2.07 0.79 -0.52 121.20 129.53 2k43 s ILE 91 Ca -0.04 -1.14 -0.23 0.00 -1.41 0.00 0.00 60.65 57.83 2k43 s ILE 91 Cb -0.03 -3.14 0.06 0.00 0.13 0.00 0.00 42.46 39.48 2k43 s ILE 91 CO 0.00 -0.07 0.92 -0.94 -1.91 0.00 0.00 174.94 172.93 2k43 s SER 92 N -2.94 6.24 0.00 4.50 1.04 -0.71 -0.44 113.70 121.39 2k43 s SER 92 Ca 0.29 -0.73 0.21 0.00 0.48 0.00 0.00 55.95 56.20 2k43 s SER 92 Cb -0.10 -2.41 1.09 0.00 0.10 0.00 0.00 66.02 64.70 2k43 s SER 92 CO 0.22 -1.29 1.64 1.17 0.98 0.00 0.00 173.24 175.96 2k43 n LYS 93 N 7.43 0.39 0.12 4.02 3.00 -1.20 -0.30 118.16 131.63 2k43 n LYS 93 Ca -0.02 0.07 -0.05 0.00 -0.00 0.00 0.00 58.31 58.31 2k43 n LYS 93 Cb 0.46 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.97 2k43 n LYS 93 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2k43 h LYS 94 N 0.00 -0.32 -1.71 1.64 1.63 -1.89 -3.16 116.57 112.75 2k43 h LYS 94 Ca 0.00 0.02 -0.52 0.00 -0.85 0.00 0.00 60.65 59.30 2k43 h LYS 94 Cb 0.14 0.07 -0.20 0.00 -0.60 0.00 0.00 32.23 31.64 2k43 h LYS 94 CO 0.00 -0.21 0.58 0.72 -3.45 0.00 0.00 179.45 177.09 2k43 n HIS 95 N -3.75 2.05 -0.19 1.91 8.25 -1.14 -4.78 115.22 117.58 2k43 n HIS 95 Ca -0.04 -2.18 -0.03 0.00 -0.26 0.00 0.00 57.72 55.21 2k43 n HIS 95 Cb 0.13 -1.25 0.03 0.00 1.12 0.00 0.00 29.99 30.03 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 2.42 0.19 0.00 -1.41 0.00 -0.62 0.17 119.26 120.01 2k43 h ALA 96 Ca 0.43 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2k43 h ALA 96 Cb 0.68 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k43 h ALA 96 CO 1.04 -0.54 0.00 -1.91 0.00 0.00 0.00 179.25 177.84 2k43 n GLU 97 N -5.43 0.14 0.00 0.00 4.07 -1.26 -1.63 120.64 116.53 2k43 n GLU 97 Ca 0.05 0.10 0.13 0.00 -0.06 0.00 0.00 57.16 57.37 2k43 n GLU 97 Cb 0.33 -1.50 0.28 0.00 -0.06 0.00 0.00 31.44 30.50 2k43 n GLU 97 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2k43 n LYS 98 N -1.41 1.33 -1.02 5.31 4.01 0.03 -4.96 118.16 121.45 2k43 n LYS 98 Ca 0.08 -0.92 -0.01 0.00 -0.51 0.00 0.00 58.31 56.95 2k43 n LYS 98 Cb 0.23 -1.48 -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 -0.03 -3.10 -4.79 4.39 4.05 -0.64 -5.02 115.26 110.12 2k43 n ASN 99 Ca 0.13 0.02 -0.35 0.00 0.45 0.00 0.00 54.58 54.83 2k43 n ASN 99 Cb 0.41 -0.67 -0.04 0.00 1.23 0.00 0.00 39.78 40.71 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 2k43 s TRP 100 N -2.03 3.20 0.03 1.20 0.52 -1.25 -4.99 118.94 115.61 2k43 s TRP 100 Ca 0.00 1.62 0.01 0.00 0.02 0.00 0.00 56.10 57.75 2k43 s TRP 100 Cb 0.00 -3.06 -0.04 0.00 -1.15 0.00 0.00 33.47 29.22 2k43 s TRP 100 CO 0.00 -0.58 0.07 -0.06 0.02 0.00 0.00 176.95 176.40 2k43 s PHE 101 N -1.84 3.24 -0.34 -1.98 0.40 -0.70 -1.75 117.98 115.02 2k43 s PHE 101 Ca 0.61 0.15 -0.13 0.00 -0.60 0.00 0.00 56.93 56.96 2k43 s PHE 101 Cb -0.18 -1.69 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 2k43 s PHE 101 CO 0.23 0.53 0.27 0.14 0.70 0.00 0.00 175.22 177.09 2k43 s VAL 102 N -1.25 5.25 0.07 -0.44 -7.23 0.32 -4.41 120.40 112.71 2k43 s VAL 102 Ca 0.25 -0.12 0.04 0.00 -1.81 0.00 0.00 61.98 60.34 2k43 s VAL 102 Cb -0.12 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.05 2k43 s VAL 102 CO 0.17 -0.02 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.99 2k43 s GLY 103 N 1.73 0.77 0.19 2.32 0.00 -1.26 -4.18 107.32 106.89 2k43 s GLY 103 Ca 0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 44.72 43.82 2k43 s GLY 103 CO 0.11 -1.00 0.39 1.08 0.00 0.00 0.00 173.10 173.68 2k43 s LEU 104 N -1.79 4.23 -0.64 0.66 1.43 -1.14 -3.91 118.68 117.52 2k43 s LEU 104 Ca -0.03 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.45 2k43 s LEU 104 Cb -0.09 -3.20 0.17 0.00 0.03 0.00 0.00 46.19 43.10 2k43 s LEU 104 CO 0.02 -0.03 0.48 -0.75 0.23 0.00 0.00 176.35 176.29 2k43 s LYS 105 N -3.23 2.72 0.48 1.70 2.36 -1.06 -4.52 119.74 118.19 2k43 s LYS 105 Ca 0.39 -2.41 0.28 0.00 -2.55 0.00 0.00 55.97 51.68 2k43 s LYS 105 Cb -0.11 -3.87 0.84 0.00 -1.05 0.00 0.00 37.83 33.64 2k43 s LYS 105 CO 0.28 -1.19 1.79 1.57 1.55 0.00 0.00 175.35 179.35 2k43 h LYS 106 N 7.36 0.00 0.00 4.03 -0.00 -1.91 1.35 116.57 127.39 2k43 h LYS 106 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.63 2k43 h LYS 106 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.21 2k43 h LYS 106 CO 0.73 0.00 0.00 -1.71 -0.00 0.00 0.00 179.45 178.47 2k43 n ASN 107 N -3.04 0.28 0.00 7.07 2.85 -1.26 -1.36 115.26 119.80 2k43 n ASN 107 Ca 0.02 0.56 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 2k43 n ASN 107 Cb 0.42 -0.62 0.00 0.00 1.24 0.00 0.00 39.78 40.81 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k43 n GLY 108 N 0.25 0.53 3.29 8.20 0.00 -0.31 -4.89 105.19 112.27 2k43 n GLY 108 Ca 0.04 0.00 -0.12 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 -0.20 -0.33 1.61 1.04 0.45 -1.58 113.70 115.68 2k43 s SER 109 Ca 0.00 -0.17 -0.19 0.00 0.48 0.00 0.00 55.95 56.07 2k43 s SER 109 Cb 0.00 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2k43 s SER 109 CO 0.00 -0.70 0.56 0.00 0.98 0.00 0.00 173.24 174.08 2k43 s LYS 111 N 2.50 2.44 -0.46 0.00 3.01 -1.26 -4.16 119.74 121.81 2k43 s LYS 111 Ca 0.21 -1.05 0.03 0.00 -1.01 0.00 0.00 55.97 54.15 2k43 s LYS 111 Cb -0.15 -2.67 0.16 0.00 -1.01 0.00 0.00 37.83 34.16 2k43 s LYS 111 CO 0.13 -0.41 0.33 1.03 0.51 0.00 0.00 175.35 176.93 2k43 s ARG 112 N 1.23 1.23 0.00 1.68 0.52 -1.08 -4.63 118.95 117.90 2k43 s ARG 112 Ca -0.02 -2.20 0.00 0.00 -0.52 0.00 0.00 55.73 52.99 2k43 s ARG 112 Cb -0.17 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2k43 s ARG 112 CO -0.08 -1.29 0.00 0.41 0.02 0.00 0.00 175.30 174.36 2k43 n GLY 113 N 3.02 0.54 0.23 -3.53 0.00 0.18 -4.29 105.19 101.34 2k43 n GLY 113 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.29 2k43 n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k43 n PRO 114 N -0.22 1.29 0.00 1.61 -0.04 -1.26 -2.46 135.00 133.92 2k43 n PRO 114 Ca 0.00 -0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 2k43 n PRO 114 Cb 0.00 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2k43 n PRO 114 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k43 n ARG 115 N -0.25 0.39 -3.47 0.54 0.00 -1.26 -4.99 116.66 107.62 2k43 n ARG 115 Ca 0.10 -0.64 -0.43 0.00 -0.00 0.00 0.00 57.85 56.89 2k43 n ARG 115 Cb 0.14 -0.81 -0.10 0.00 -0.00 0.00 0.00 32.46 31.69 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 5.23 -5.00 8.89 -4.23 -1.03 -3.47 115.64 115.78 2k43 s THR 116 Ca 0.00 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 2k43 s THR 116 Cb 0.00 -3.90 0.00 0.00 1.34 0.00 0.00 72.50 69.94 2k43 s THR 116 CO 0.00 -0.29 0.00 0.00 -0.54 0.00 0.00 174.62 173.79 2k43 n HIS 117 N 5.15 0.00 -2.70 3.99 1.44 -1.26 -1.72 115.22 120.12 2k43 n HIS 117 Ca -0.11 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.17 2k43 n HIS 117 Cb 0.47 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.58 2k43 n HIS 117 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2k43 n TYR 118 N 4.37 4.74 -0.05 -1.40 4.02 -1.26 -3.42 117.16 124.15 2k43 n TYR 118 Ca 0.00 -3.05 -0.06 0.00 -0.01 0.00 0.00 57.90 54.78 2k43 n TYR 118 Cb 0.00 -2.45 -0.07 0.00 -0.02 0.00 0.00 39.34 36.81 2k43 n TYR 118 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2k43 n GLY 119 N 4.79 -0.34 3.12 2.72 0.00 -1.25 -5.05 105.19 109.18 2k43 n GLY 119 Ca 0.44 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.23 0.96 0.00 1.61 -1.52 -1.22 -5.02 119.66 112.24 2k43 s GLN 120 Ca -0.10 -0.63 0.22 0.00 -1.95 0.00 0.00 55.36 52.90 2k43 s GLN 120 Cb 0.03 -0.94 0.94 0.00 -0.22 0.00 0.00 33.01 32.82 2k43 s GLN 120 CO 0.34 0.24 1.65 1.17 -0.25 0.00 0.00 175.29 178.44 2k43 n LYS 121 N 2.24 1.53 0.00 2.91 4.81 -1.26 -3.05 118.16 125.34 2k43 n LYS 121 Ca -0.16 -0.78 0.11 0.00 -0.87 0.00 0.00 58.31 56.60 2k43 n LYS 121 Cb 0.55 -1.39 0.64 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 1.17 0.00 0.00 177.40 178.57 2k43 n ALA 122 N -0.01 2.60 1.55 3.14 0.00 -1.26 -2.63 120.51 123.89 2k43 n ALA 122 Ca 0.17 -0.14 0.14 0.00 0.00 0.00 0.00 53.44 53.61 2k43 n ALA 122 Cb 0.27 -1.35 0.58 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.85 0.00 -3.41 0.00 2.08 -1.17 -2.87 119.36 113.14 2k43 n ILE 123 Ca 0.16 -0.19 -0.39 0.00 0.56 0.00 0.00 62.75 62.89 2k43 n ILE 123 Cb 0.07 0.32 -0.09 0.00 -0.75 0.00 0.00 39.64 39.19 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2k43 s LEU 124 N -2.07 4.07 0.24 1.39 2.01 -1.08 -4.65 118.68 118.59 2k43 s LEU 124 Ca 0.38 0.32 0.10 0.00 0.01 0.00 0.00 54.13 54.94 2k43 s LEU 124 Cb 0.21 -2.42 -0.05 0.00 0.01 0.00 0.00 46.19 43.94 2k43 s LEU 124 CO 0.36 -0.14 -0.17 -0.36 1.01 0.00 0.00 176.35 177.05 2k43 s PHE 125 N 1.84 2.00 -0.12 0.29 0.08 -0.88 -2.95 117.98 118.24 2k43 s PHE 125 Ca 0.15 -0.45 -0.04 0.00 0.12 0.00 0.00 56.93 56.72 2k43 s PHE 125 Cb -0.15 -0.89 0.05 0.00 -0.57 0.00 0.00 43.02 41.45 2k43 s PHE 125 CO 0.09 0.54 0.07 -1.17 -0.10 0.00 0.00 175.22 174.65 2k43 s LEU 126 N -3.41 0.33 -0.17 -0.37 2.96 -1.24 -2.26 118.68 114.52 2k43 s LEU 126 Ca 0.26 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.77 2k43 s LEU 126 Cb -0.03 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 2k43 s LEU 126 CO 0.11 -0.30 0.07 -2.16 -1.32 0.00 0.00 176.35 172.75 2k43 s PRO 127 N 2.12 3.89 -0.07 0.98 0.04 -1.26 -3.76 135.00 136.94 2k43 s PRO 127 Ca 0.03 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.76 2k43 s PRO 127 Cb -0.14 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2k43 s PRO 127 CO -0.06 0.35 -0.06 -0.51 0.04 0.00 0.00 177.00 176.76 2k43 s LEU 128 N 0.15 1.19 0.50 -3.56 1.43 -1.21 -4.89 118.68 112.29 2k43 s LEU 128 Ca 0.05 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 2k43 s LEU 128 Cb -0.12 -0.60 -0.06 0.00 0.03 0.00 0.00 46.19 45.43 2k43 s LEU 128 CO 0.00 -0.08 0.91 -2.16 0.23 0.00 0.00 176.35 175.25 2k43 s PRO 129 N 1.28 3.80 0.10 1.29 0.04 -1.26 0.12 135.00 140.37 2k43 s PRO 129 Ca -0.05 0.70 -0.31 0.00 0.04 0.00 0.00 61.00 61.39 2k43 s PRO 129 Cb -0.14 -2.22 -0.10 0.00 0.04 0.00 0.00 34.50 32.08 2k43 s PRO 129 CO -0.02 -0.25 1.75 0.08 0.04 0.00 0.00 177.00 178.60 2k43 s VAL 130 N -2.66 2.72 0.01 -0.36 1.01 -1.05 -4.88 120.40 115.20 2k43 s VAL 130 Ca 0.55 0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.49 2k43 s VAL 130 Cb -0.10 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2k43 s VAL 130 CO 0.37 0.00 0.84 -0.44 0.00 0.00 0.00 175.10 175.86 2k43 s SER 131 N 2.55 7.24 -0.26 3.32 0.01 -1.26 -0.26 113.70 125.04 2k43 s SER 131 Ca 0.78 1.49 -0.09 0.00 1.31 0.00 0.00 55.95 59.44 2k43 s SER 131 Cb -0.44 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.26 2k43 s SER 131 CO 0.35 -0.11 0.12 -0.55 0.41 0.00 0.00 173.24 173.45 2k43 s SER 132 N 0.49 5.50 0.00 2.44 0.15 -1.26 -2.14 113.70 118.88 2k43 s SER 132 Ca 0.43 -0.12 0.22 0.00 0.70 0.00 0.00 55.95 57.19 2k43 s SER 132 Cb -0.20 -2.00 0.18 0.00 -1.71 0.00 0.00 66.02 62.28 2k43 s SER 132 CO 0.24 -0.03 1.21 -0.67 1.20 0.00 0.00 173.24 175.19