#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 2.21 -0.08 -0.72 1.02 0.15 -4.84 119.74 117.46 2k43 s LYS 2 Ca 0.00 -0.19 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 2k43 s LYS 2 Cb 0.00 -2.14 -0.17 0.00 -0.52 0.00 0.00 37.83 35.00 2k43 s LYS 2 CO 0.00 -1.26 0.75 -0.22 -0.92 0.00 0.00 175.35 173.70 2k43 h LYS 3 N -0.64 -0.09 -6.31 1.68 1.63 -1.96 -3.35 116.57 107.53 2k43 h LYS 3 Ca -0.45 0.01 -0.66 0.00 -0.85 0.00 0.00 60.65 58.70 2k43 h LYS 3 Cb 1.31 0.02 0.08 0.00 -0.60 0.00 0.00 32.23 33.05 2k43 h LYS 3 CO 0.61 0.47 0.22 -2.30 -3.45 0.00 0.00 179.45 175.00 2k43 n PRO 4 N -4.79 1.07 -4.41 1.90 -0.02 -1.26 -4.64 135.00 122.83 2k43 n PRO 4 Ca -0.07 0.38 -0.24 0.00 -2.02 0.00 0.00 63.50 61.54 2k43 n PRO 4 Cb 0.29 -1.86 -0.09 0.00 -0.02 0.00 0.00 33.50 31.83 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 -0.41 1.92 -0.02 -0.52 1.02 0.32 0.41 119.74 122.46 2k43 s LYS 5 Ca 0.73 -1.72 0.01 0.00 0.02 0.00 0.00 55.97 55.01 2k43 s LYS 5 Cb -0.87 -1.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2k43 s LYS 5 CO 0.53 0.26 -0.00 -1.17 -0.92 0.00 0.00 175.35 174.04 2k43 s LEU 6 N -3.61 3.51 -0.76 3.17 0.20 0.25 -0.29 118.68 121.15 2k43 s LEU 6 Ca 0.32 0.02 -0.16 0.00 0.69 0.00 0.00 54.13 55.00 2k43 s LEU 6 Cb -0.03 -1.96 0.16 0.00 -0.43 0.00 0.00 46.19 43.93 2k43 s LEU 6 CO 0.17 0.30 0.80 -0.22 -0.29 0.00 0.00 176.35 177.12 2k43 s LEU 7 N -1.38 6.01 -0.62 -0.68 2.96 -1.26 -2.60 118.68 121.10 2k43 s LEU 7 Ca 0.18 -2.16 -0.08 0.00 -0.22 0.00 0.00 54.13 51.85 2k43 s LEU 7 Cb -0.11 -2.27 0.16 0.00 0.50 0.00 0.00 46.19 44.46 2k43 s LEU 7 CO 0.08 -0.84 0.49 -0.47 -1.32 0.00 0.00 176.35 174.30 2k43 s TYR 8 N 1.45 3.51 -0.56 5.38 6.14 -0.97 -2.83 117.35 129.47 2k43 s TYR 8 Ca 0.18 -2.23 0.05 0.00 0.64 0.00 0.00 57.07 55.72 2k43 s TYR 8 Cb -0.14 -3.47 0.19 0.00 0.42 0.00 0.00 41.96 38.96 2k43 s TYR 8 CO -0.04 -0.94 0.48 0.00 0.64 0.00 0.00 175.55 175.69 2k43 s SER 10 N -1.06 0.12 -0.81 0.00 0.15 -1.26 -3.78 113.70 107.06 2k43 s SER 10 Ca 0.31 -0.48 -0.25 0.00 0.70 0.00 0.00 55.95 56.23 2k43 s SER 10 Cb 0.04 0.25 0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2k43 s SER 10 CO -0.15 -0.53 1.29 0.54 1.20 0.00 0.00 173.24 175.59 2k43 s ASN 11 N -2.13 6.26 0.00 5.45 4.22 -1.26 -4.65 114.94 122.83 2k43 s ASN 11 Ca -0.05 -0.81 0.00 0.00 -2.14 0.00 0.00 52.86 49.86 2k43 s ASN 11 Cb -0.01 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 39.98 2k43 s ASN 11 CO -0.05 -1.69 0.00 0.61 -2.04 0.00 0.00 177.10 173.93 2k43 n GLY 12 N 5.78 1.52 2.66 0.45 0.00 -1.26 -5.10 105.19 109.23 2k43 n GLY 12 Ca 0.11 0.29 -0.03 0.00 0.00 0.00 0.00 46.02 46.38 2k43 n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k43 n GLY 13 N 0.00 -1.90 3.33 -0.02 0.00 -1.26 -5.17 105.19 100.17 2k43 n GLY 13 Ca 0.00 1.40 -0.17 0.00 0.00 0.00 0.00 46.02 47.25 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 0.91 1.56 -0.01 1.61 3.76 -1.26 -4.69 115.29 117.18 2k43 s HIS 14 Ca 0.23 -0.85 -0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2k43 s HIS 14 Cb 0.16 -0.88 0.00 0.00 1.11 0.00 0.00 32.58 32.97 2k43 s HIS 14 CO -0.11 0.04 0.01 -0.06 -0.85 0.00 0.00 174.74 173.77 2k43 s PHE 15 N -3.33 -0.01 0.08 1.40 0.08 -1.05 -4.53 117.98 110.62 2k43 s PHE 15 Ca 0.26 0.04 -0.29 0.00 0.12 0.00 0.00 56.93 57.06 2k43 s PHE 15 Cb 0.05 -0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.43 2k43 s PHE 15 CO 0.08 -0.01 0.92 -1.17 -0.10 0.00 0.00 175.22 174.93 2k43 s LEU 16 N 0.06 4.47 0.09 -0.37 2.96 -1.13 0.46 118.68 125.23 2k43 s LEU 16 Ca -0.00 1.70 0.06 0.00 -0.22 0.00 0.00 54.13 55.66 2k43 s LEU 16 Cb -0.01 -3.51 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 2k43 s LEU 16 CO -0.00 -0.07 -0.15 0.00 -1.32 0.00 0.00 176.35 174.81 2k43 s ARG 17 N 0.11 0.93 -0.09 1.98 1.70 0.19 -4.17 118.95 119.60 2k43 s ARG 17 Ca 0.46 -1.08 -0.12 0.00 -0.47 0.00 0.00 55.73 54.52 2k43 s ARG 17 Cb -0.22 -0.93 -0.05 0.00 -0.57 0.00 0.00 34.95 33.18 2k43 s ARG 17 CO 0.28 0.20 0.28 0.96 -1.08 0.00 0.00 175.30 175.94 2k43 s ILE 18 N -1.54 5.27 -0.07 4.99 -0.00 -1.24 -2.93 121.20 125.69 2k43 s ILE 18 Ca 0.03 0.54 -0.01 0.00 -0.00 0.00 0.00 60.65 61.20 2k43 s ILE 18 Cb -0.08 -3.59 -0.03 0.00 -0.00 0.00 0.00 42.46 38.76 2k43 s ILE 18 CO 0.03 0.53 0.01 -0.76 -0.00 0.00 0.00 174.94 174.75 2k43 s LEU 19 N -0.54 3.62 0.00 0.37 1.02 -1.25 -5.00 118.68 116.90 2k43 s LEU 19 Ca 0.18 0.13 0.00 0.00 0.02 0.00 0.00 54.13 54.47 2k43 s LEU 19 Cb -0.14 -1.89 0.00 0.00 0.02 0.00 0.00 46.19 44.18 2k43 s LEU 19 CO 0.07 0.36 0.67 -2.65 0.02 0.00 0.00 176.35 174.82 2k43 n PRO 20 N 1.96 0.72 0.05 1.29 -0.02 -1.26 -2.11 135.00 135.63 2k43 n PRO 20 Ca -0.18 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.18 2k43 n PRO 20 Cb 0.53 -1.05 -0.14 0.00 -0.02 0.00 0.00 33.50 32.83 2k43 n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2k43 h ASP 21 N 0.04 0.22 0.00 2.55 3.58 -1.94 -3.48 116.42 117.39 2k43 h ASP 21 Ca 0.00 -0.29 0.00 0.00 0.42 0.00 0.00 57.03 57.16 2k43 h ASP 21 Cb 0.05 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.03 2k43 h ASP 21 CO 0.00 1.24 0.00 0.61 -2.88 0.00 0.00 179.24 178.21 2k43 n GLY 22 N 1.55 0.60 3.31 -0.78 0.00 -0.90 -4.99 105.19 103.97 2k43 n GLY 22 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.65 1.98 -0.44 2.61 2.01 -1.19 -4.18 115.64 115.78 2k43 s THR 23 Ca 0.00 -1.24 -0.03 0.00 0.31 0.00 0.00 61.69 60.74 2k43 s THR 23 Cb 0.00 -1.68 0.12 0.00 0.01 0.00 0.00 72.50 70.95 2k43 s THR 23 CO 0.00 0.39 0.23 -0.69 -0.69 0.00 0.00 174.62 173.87 2k43 s VAL 24 N -0.73 3.31 0.01 3.82 1.01 -1.26 -3.83 120.40 122.73 2k43 s VAL 24 Ca 0.10 -2.20 0.01 0.00 0.00 0.00 0.00 61.98 59.89 2k43 s VAL 24 Cb -0.10 -3.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2k43 s VAL 24 CO 0.01 -0.72 -0.05 1.51 0.00 0.00 0.00 175.10 175.85 2k43 s ASP 25 N 1.62 0.57 0.04 3.32 -4.77 -1.15 0.91 116.67 117.22 2k43 s ASP 25 Ca 0.10 -0.20 -0.20 0.00 -3.30 0.00 0.00 52.55 48.95 2k43 s ASP 25 Cb -0.22 -0.03 -0.06 0.00 -1.09 0.00 0.00 42.92 41.51 2k43 s ASP 25 CO -0.04 -0.02 0.59 -0.83 0.70 0.00 0.00 175.17 175.57 2k43 s GLY 26 N -0.48 2.66 -0.03 2.12 0.00 -0.39 0.53 107.32 111.73 2k43 s GLY 26 Ca -0.02 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.69 2k43 s GLY 26 CO -0.00 0.60 0.14 -1.59 0.00 0.00 0.00 173.10 172.24 2k43 s THR 27 N -0.73 0.04 -0.48 0.90 2.01 0.17 -4.15 115.64 113.40 2k43 s THR 27 Ca 0.30 -0.33 -0.17 0.00 0.31 0.00 0.00 61.69 61.80 2k43 s THR 27 Cb -0.19 -0.31 0.06 0.00 0.01 0.00 0.00 72.50 72.07 2k43 s THR 27 CO 0.19 -0.18 0.50 0.00 -0.69 0.00 0.00 174.62 174.43 2k43 s ARG 28 N -0.60 3.06 -0.25 4.92 1.70 -1.26 -2.52 118.95 124.00 2k43 s ARG 28 Ca -0.07 -1.07 -0.02 0.00 -0.47 0.00 0.00 55.73 54.10 2k43 s ARG 28 Cb -0.04 -4.09 0.12 0.00 -0.57 0.00 0.00 34.95 30.37 2k43 s ARG 28 CO 0.01 -1.09 0.30 -0.51 -1.08 0.00 0.00 175.30 172.93 2k43 s ASP 29 N 2.52 1.10 -0.04 -2.89 1.01 -1.26 -5.01 116.67 112.10 2k43 s ASP 29 Ca 0.10 -0.28 0.18 0.00 0.71 0.00 0.00 52.55 53.26 2k43 s ASP 29 Cb -0.21 0.67 0.58 0.00 1.01 0.00 0.00 42.92 44.97 2k43 s ASP 29 CO 0.10 -0.34 1.49 -2.11 0.21 0.00 0.00 175.17 174.52 2k43 n ARG 30 N 5.33 3.06 -0.20 8.23 0.00 -1.26 -3.03 116.66 128.79 2k43 n ARG 30 Ca -0.03 -2.59 0.10 0.00 -0.00 0.00 0.00 57.85 55.33 2k43 n ARG 30 Cb 0.49 -1.60 0.21 0.00 -0.00 0.00 0.00 32.46 31.56 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 1.10 3.35 -4.94 2.89 7.64 -1.26 -4.97 113.62 117.43 2k43 n SER 31 Ca 0.22 -1.95 -0.21 0.00 1.01 0.00 0.00 58.87 57.94 2k43 n SER 31 Cb 0.66 -0.27 0.06 0.00 -1.01 0.00 0.00 64.21 63.65 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 1.30 2.23 -2.47 6.43 2.03 -1.17 -5.04 116.55 119.87 2k43 n ASP 32 Ca 0.18 -2.61 -0.33 0.00 0.52 0.00 0.00 54.79 52.56 2k43 n ASP 32 Cb 0.55 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.63 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 -2.20 3.05 0.00 -0.67 3.00 -1.26 -4.48 117.38 114.82 2k43 n GLN 33 Ca 0.13 -3.78 0.00 0.00 -0.01 0.00 0.00 57.00 53.34 2k43 n GLN 33 Cb 0.61 -2.27 0.00 0.00 0.00 0.00 0.00 30.24 28.57 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 2k43 n HIS 34 N -0.68 0.00 0.30 1.08 8.25 -1.26 -4.65 115.22 118.27 2k43 n HIS 34 Ca 0.52 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 58.02 2k43 n HIS 34 Cb 0.60 0.00 0.19 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.16 1.09 -3.65 1.59 -6.64 -1.26 -3.66 119.36 106.68 2k43 n ILE 35 Ca 0.00 -0.62 -0.39 0.00 -1.77 0.00 0.00 62.75 59.97 2k43 n ILE 35 Cb 0.00 -0.21 -0.10 0.00 -1.44 0.00 0.00 39.64 37.89 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k43 s GLN 36 N -1.76 2.31 0.05 6.28 0.00 -1.26 -4.18 119.66 121.09 2k43 s GLN 36 Ca 0.26 -1.76 0.06 0.00 -0.00 0.00 0.00 55.36 53.92 2k43 s GLN 36 Cb 0.18 -3.78 -0.03 0.00 0.00 0.00 0.00 33.01 29.38 2k43 s GLN 36 CO 0.10 -1.12 -0.13 -0.48 0.00 0.00 0.00 175.29 173.66 2k43 s LEU 37 N 1.28 2.89 -0.48 2.60 2.34 0.60 -2.47 118.68 125.44 2k43 s LEU 37 Ca 0.06 -0.33 -0.20 0.00 0.06 0.00 0.00 54.13 53.72 2k43 s LEU 37 Cb -0.25 -1.69 0.04 0.00 -0.56 0.00 0.00 46.19 43.74 2k43 s LEU 37 CO -0.02 0.24 0.65 -1.58 -1.06 0.00 0.00 176.35 174.59 2k43 s GLN 38 N -1.63 3.20 -0.51 1.48 -0.44 0.23 0.12 119.66 122.11 2k43 s GLN 38 Ca 0.17 -0.64 -0.06 0.00 -2.50 0.00 0.00 55.36 52.33 2k43 s GLN 38 Cb -0.11 -4.03 0.13 0.00 -1.64 0.00 0.00 33.01 27.36 2k43 s GLN 38 CO 0.08 -1.16 0.35 -1.17 0.50 0.00 0.00 175.29 173.90 2k43 s LEU 39 N 2.81 5.56 0.25 3.68 1.98 -1.26 -1.03 118.68 130.67 2k43 s LEU 39 Ca 0.19 -2.19 0.09 0.00 -2.89 0.00 0.00 54.13 49.33 2k43 s LEU 39 Cb -0.17 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.70 2k43 s LEU 39 CO 0.15 -0.58 0.04 -0.44 -1.89 0.00 0.00 176.35 173.63 2k43 s SER 40 N 2.01 4.80 -0.38 3.68 0.01 -1.07 -4.95 113.70 117.80 2k43 s SER 40 Ca 0.09 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.85 2k43 s SER 40 Cb -0.23 -1.00 0.11 0.00 0.21 0.00 0.00 66.02 65.11 2k43 s SER 40 CO -0.03 0.01 0.14 0.00 0.41 0.00 0.00 173.24 173.77 2k43 s ALA 41 N -2.17 3.04 -0.14 1.44 0.00 -1.26 -0.04 121.76 122.64 2k43 s ALA 41 Ca 0.31 -2.55 0.01 0.00 0.00 0.00 0.00 51.96 49.73 2k43 s ALA 41 Cb -0.07 -2.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.74 2k43 s ALA 41 CO 0.21 -1.76 -0.12 -1.91 0.00 0.00 0.00 175.76 172.18 2k43 n GLU 42 N 4.41 0.37 -3.28 0.00 2.13 -1.17 -4.97 120.64 118.13 2k43 n GLU 42 Ca 0.01 0.08 -0.22 0.00 0.66 0.00 0.00 57.16 57.69 2k43 n GLU 42 Cb 0.42 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.84 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2k43 s SER 43 N -5.35 5.98 -0.11 4.31 0.01 -1.26 -4.99 113.70 112.30 2k43 s SER 43 Ca -0.19 0.14 -0.31 0.00 1.31 0.00 0.00 55.95 56.90 2k43 s SER 43 Cb 0.05 -1.54 -0.08 0.00 0.21 0.00 0.00 66.02 64.66 2k43 s SER 43 CO 0.33 -0.50 2.06 1.33 0.41 0.00 0.00 173.24 176.86 2k43 n VAL 44 N -1.84 0.54 -0.31 3.43 0.24 -1.26 -0.95 118.33 118.18 2k43 n VAL 44 Ca -0.01 -0.25 0.00 0.00 -2.04 0.00 0.00 64.34 62.04 2k43 n VAL 44 Cb 0.58 -2.25 0.00 0.00 -1.47 0.00 0.00 33.84 30.69 2k43 n VAL 44 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k43 n GLY 45 N 5.11 2.03 3.82 7.63 0.00 -1.26 -4.96 105.19 117.55 2k43 n GLY 45 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 2k43 n GLY 45 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k43 s GLU 46 N -0.04 4.14 -0.00 1.61 2.56 -0.13 0.45 118.70 127.29 2k43 s GLU 46 Ca 0.00 0.66 0.08 0.00 0.00 0.00 0.00 54.97 55.71 2k43 s GLU 46 Cb 0.00 -3.24 -0.02 0.00 2.00 0.00 0.00 34.13 32.87 2k43 s GLU 46 CO 0.00 0.65 -0.26 0.14 -0.56 0.00 0.00 175.26 175.23 2k43 s VAL 47 N -1.08 2.05 -0.15 3.70 -7.23 -0.09 -3.05 120.40 114.54 2k43 s VAL 47 Ca 0.28 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2k43 s VAL 47 Cb -0.19 -1.71 0.01 0.00 0.56 0.00 0.00 36.38 35.05 2k43 s VAL 47 CO 0.18 0.51 -0.21 -0.47 -0.31 0.00 0.00 175.10 174.80 2k43 s TYR 48 N -0.66 2.70 -0.45 2.82 5.04 0.95 -2.39 117.35 125.35 2k43 s TYR 48 Ca 0.10 -1.38 -0.17 0.00 -2.44 0.00 0.00 57.07 53.18 2k43 s TYR 48 Cb -0.10 -1.84 0.04 0.00 0.35 0.00 0.00 41.96 40.41 2k43 s TYR 48 CO -0.00 -0.64 0.44 0.42 -1.34 0.00 0.00 175.55 174.42 2k43 s ILE 49 N 0.90 5.12 0.16 3.14 1.01 -1.26 -2.60 121.20 127.67 2k43 s ILE 49 Ca -0.05 -0.61 0.11 0.00 0.00 0.00 0.00 60.65 60.10 2k43 s ILE 49 Cb -0.15 -4.09 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2k43 s ILE 49 CO -0.04 -0.51 -0.24 -0.54 0.00 0.00 0.00 174.94 173.61 2k43 s LYS 50 N 2.02 1.52 0.10 2.79 1.02 -0.20 -4.73 119.74 122.26 2k43 s LYS 50 Ca 0.09 -1.42 -0.26 0.00 0.02 0.00 0.00 55.97 54.41 2k43 s LYS 50 Cb -0.20 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 2k43 s LYS 50 CO 0.11 0.43 0.79 0.45 -0.92 0.00 0.00 175.35 176.20 2k43 s SER 51 N -2.41 7.31 0.00 2.83 0.15 -0.92 0.77 113.70 121.43 2k43 s SER 51 Ca 0.18 1.55 0.00 0.00 0.70 0.00 0.00 55.95 58.39 2k43 s SER 51 Cb -0.09 -2.49 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2k43 s SER 51 CO 0.09 0.08 0.00 0.41 1.20 0.00 0.00 173.24 175.02 2k43 n THR 52 N 2.35 0.00 -0.08 6.45 -1.04 -1.20 -4.64 114.28 116.12 2k43 n THR 52 Ca -0.03 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.75 2k43 n THR 52 Cb 0.50 -0.09 -0.12 0.00 -1.82 0.00 0.00 70.33 68.79 2k43 n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k43 n GLU 53 N 0.00 0.61 -0.28 -2.82 4.07 -1.26 -4.66 120.64 116.30 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 -1.71 0.20 0.00 -0.06 0.00 0.00 31.44 29.87 2k43 n GLU 53 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2k43 n THR 54 N -4.17 2.11 0.05 6.31 -2.24 -1.26 -4.89 114.28 110.19 2k43 n THR 54 Ca -0.35 -2.10 0.05 0.00 -2.27 0.00 0.00 64.05 59.38 2k43 n THR 54 Cb 0.79 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.71 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k43 n GLY 55 N -0.97 -1.26 0.00 3.38 0.00 -1.03 -4.23 105.19 101.08 2k43 n GLY 55 Ca 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2k43 n GLY 55 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k43 n GLN 56 N -2.74 0.00 -2.97 1.61 0.00 -1.26 -4.19 117.38 107.83 2k43 n GLN 56 Ca -0.07 0.00 -0.36 0.00 -0.00 0.00 0.00 57.00 56.57 2k43 n GLN 56 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 30.24 30.95 2k43 n GLN 56 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2k43 n TYR 57 N -0.60 2.99 -2.75 3.69 4.02 -1.26 -2.18 117.16 121.07 2k43 n TYR 57 Ca 0.00 -3.13 -0.40 0.00 -0.01 0.00 0.00 57.90 54.36 2k43 n TYR 57 Cb 0.00 -0.97 -0.06 0.00 -0.02 0.00 0.00 39.34 38.29 2k43 n TYR 57 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2k43 s LEU 58 N -3.30 4.64 -0.13 7.72 1.43 -1.26 -2.54 118.68 125.24 2k43 s LEU 58 Ca 0.38 1.95 -0.04 0.00 -1.03 0.00 0.00 54.13 55.40 2k43 s LEU 58 Cb 0.15 -3.62 0.05 0.00 0.03 0.00 0.00 46.19 42.80 2k43 s LEU 58 CO -0.03 0.15 0.10 0.00 0.23 0.00 0.00 176.35 176.80 2k43 s ALA 59 N -1.19 0.23 -0.24 4.21 0.00 -0.49 -3.52 121.76 120.76 2k43 s ALA 59 Ca 0.41 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 2k43 s ALA 59 Cb -0.26 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 2k43 s ALA 59 CO 0.32 -0.93 0.75 -1.64 0.00 0.00 0.00 175.76 174.27 2k43 s MET 60 N 2.18 4.17 -0.35 0.00 -1.94 -1.24 -2.70 119.30 119.43 2k43 s MET 60 Ca 0.03 0.80 -0.14 0.00 -1.71 0.00 0.00 55.69 54.68 2k43 s MET 60 Cb -0.14 -3.63 -0.01 0.00 2.01 0.00 0.00 34.83 33.05 2k43 s MET 60 CO -0.07 -0.45 0.32 0.34 -0.01 0.00 0.00 175.02 175.15 2k43 s ASP 61 N 1.35 6.13 0.00 3.03 2.15 -1.16 -4.08 116.67 124.10 2k43 s ASP 61 Ca 0.32 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2k43 s ASP 61 Cb -0.15 -2.17 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 2k43 s ASP 61 CO 0.08 -0.31 0.00 0.35 -0.17 0.00 0.00 175.17 175.12 2k43 n THR 62 N 5.19 0.00 -0.40 1.71 -2.24 -1.26 -1.90 114.28 115.37 2k43 n THR 62 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 2k43 n THR 62 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.21 -0.02 3.42 -0.08 -1.26 -4.49 116.55 112.91 2k43 n ASP 63 Ca 0.00 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.12 2k43 n ASP 63 Cb 0.00 -0.20 -0.14 0.00 2.34 0.00 0.00 41.12 43.12 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k43 n GLY 64 N -2.40 -0.73 2.79 0.27 0.00 -0.80 -3.44 105.19 100.88 2k43 n GLY 64 Ca 0.00 -0.19 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2k43 n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k43 s LEU 65 N -6.56 0.78 -0.36 0.99 1.43 -1.24 0.17 118.68 113.89 2k43 s LEU 65 Ca -0.16 -0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 2k43 s LEU 65 Cb 0.07 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.91 2k43 s LEU 65 CO 0.78 -0.16 0.61 -0.76 0.23 0.00 0.00 176.35 177.06 2k43 s LEU 66 N 1.64 4.28 0.06 1.79 1.02 -0.10 -2.97 118.68 124.40 2k43 s LEU 66 Ca -0.00 0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.28 2k43 s LEU 66 Cb -0.13 -2.75 -0.03 0.00 0.02 0.00 0.00 46.19 43.31 2k43 s LEU 66 CO -0.04 -0.58 -0.12 -0.72 0.02 0.00 0.00 176.35 174.92 2k43 s TYR 67 N 2.65 1.00 -0.29 0.29 1.13 -1.10 -4.08 117.35 116.96 2k43 s TYR 67 Ca 0.23 -0.47 -0.14 0.00 -1.41 0.00 0.00 57.07 55.28 2k43 s TYR 67 Cb -0.15 -0.57 0.11 0.00 -1.10 0.00 0.00 41.96 40.25 2k43 s TYR 67 CO 0.15 0.00 0.71 0.20 -2.51 0.00 0.00 175.55 174.10 2k43 s GLY 68 N -1.67 -0.60 0.00 5.49 0.00 -1.26 -1.40 107.32 107.88 2k43 s GLY 68 Ca -0.05 2.48 0.00 0.00 0.00 0.00 0.00 44.72 47.15 2k43 s GLY 68 CO 0.02 2.71 0.00 1.44 0.00 0.00 0.00 173.10 177.27 2k43 n SER 69 N 4.73 0.00 0.02 1.64 7.64 -1.05 -4.00 113.62 122.59 2k43 n SER 69 Ca -0.16 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.52 2k43 n SER 69 Cb 0.55 0.28 -0.14 0.00 -1.01 0.00 0.00 64.21 63.88 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 0.23 -5.22 1.43 4.15 -1.93 -3.43 115.11 110.34 2k43 h GLN 70 Ca 0.00 -0.39 -0.43 0.00 0.77 0.00 0.00 58.65 58.60 2k43 h GLN 70 Cb 0.00 0.15 -0.25 0.00 0.21 0.00 0.00 27.48 27.59 2k43 h GLN 70 CO 0.00 1.19 -0.79 0.95 -1.93 0.00 0.00 178.83 178.25 2k43 s THR 71 N -2.41 1.04 -0.41 2.39 -4.23 -1.26 -5.05 115.64 105.72 2k43 s THR 71 Ca -0.17 -0.93 -0.05 0.00 -1.18 0.00 0.00 61.69 59.36 2k43 s THR 71 Cb 0.01 -0.95 0.10 0.00 1.34 0.00 0.00 72.50 73.01 2k43 s THR 71 CO 0.78 0.01 0.22 -2.16 -0.54 0.00 0.00 174.62 172.93 2k43 s PRO 72 N -1.05 2.24 0.52 3.99 0.04 -1.26 -4.07 135.00 135.41 2k43 s PRO 72 Ca 0.01 -1.69 -0.00 0.00 0.04 0.00 0.00 61.00 59.36 2k43 s PRO 72 Cb -0.07 -3.64 0.10 0.00 0.04 0.00 0.00 34.50 30.93 2k43 s PRO 72 CO 0.01 -1.03 0.72 0.09 0.04 0.00 0.00 177.00 176.83 2k43 n ASN 73 N 4.71 0.94 -4.29 6.66 3.02 -1.25 -4.96 115.26 120.09 2k43 n ASN 73 Ca -0.06 -1.80 -0.45 0.00 -0.03 0.00 0.00 54.58 52.24 2k43 n ASN 73 Cb 0.42 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 39.07 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k43 s GLU 74 N -4.33 3.02 0.00 3.52 8.01 -1.26 -3.79 118.70 123.86 2k43 s GLU 74 Ca 0.47 -1.89 0.00 0.00 0.01 0.00 0.00 54.97 53.57 2k43 s GLU 74 Cb -0.03 -4.25 0.00 0.00 -4.31 0.00 0.00 34.13 25.54 2k43 s GLU 74 CO 0.31 -1.30 0.00 0.39 0.01 0.00 0.00 175.26 174.68 2k43 n GLU 75 N 4.90 3.61 0.00 1.61 1.02 -1.26 -4.78 120.64 125.75 2k43 n GLU 75 Ca -0.07 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.20 2k43 n GLU 75 Cb 0.41 -0.48 0.65 0.00 -0.02 0.00 0.00 31.44 32.00 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 -2.76 4.47 0.12 0.00 0.05 -1.26 -4.23 118.68 115.07 2k43 s LEU 77 Ca 0.21 1.42 0.01 0.00 0.05 0.00 0.00 54.13 55.82 2k43 s LEU 77 Cb 0.18 -3.28 -0.04 0.00 -2.05 0.00 0.00 46.19 41.00 2k43 s LEU 77 CO 0.46 0.16 -0.03 -0.36 -0.55 0.00 0.00 176.35 176.03 2k43 s PHE 78 N -1.29 0.96 -0.02 3.48 0.08 -1.01 -3.87 117.98 116.32 2k43 s PHE 78 Ca 0.36 -0.99 -0.18 0.00 0.12 0.00 0.00 56.93 56.24 2k43 s PHE 78 Cb -0.19 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.65 2k43 s PHE 78 CO 0.22 -0.22 0.50 -1.17 -0.10 0.00 0.00 175.22 174.44 2k43 s LEU 79 N -3.08 4.41 -0.16 -0.37 2.96 -0.89 -0.91 118.68 120.63 2k43 s LEU 79 Ca 0.17 1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 54.94 2k43 s LEU 79 Cb 0.06 -2.75 -0.04 0.00 0.50 0.00 0.00 46.19 43.96 2k43 s LEU 79 CO -0.02 0.17 0.33 -0.70 -1.32 0.00 0.00 176.35 174.81 2k43 s GLU 80 N -0.36 4.25 -0.23 1.98 -6.30 0.17 -0.36 118.70 117.85 2k43 s GLU 80 Ca 0.27 0.15 -0.00 0.00 -2.50 0.00 0.00 54.97 52.89 2k43 s GLU 80 Cb -0.17 -3.45 0.07 0.00 0.00 0.00 0.00 34.13 30.57 2k43 s GLU 80 CO 0.14 0.17 -0.01 0.50 0.02 0.00 0.00 175.26 176.08 2k43 s ARG 81 N 0.66 1.26 -0.40 4.30 3.52 -0.09 -4.93 118.95 123.27 2k43 s ARG 81 Ca 0.18 -0.87 -0.21 0.00 -0.13 0.00 0.00 55.73 54.69 2k43 s ARG 81 Cb -0.14 -2.42 0.01 0.00 -1.56 0.00 0.00 34.95 30.84 2k43 s ARG 81 CO 0.05 -0.66 0.67 -0.51 -0.81 0.00 0.00 175.30 174.05 2k43 s LEU 82 N 1.53 4.33 -0.00 -0.88 1.43 -1.26 -0.26 118.68 123.57 2k43 s LEU 82 Ca -0.02 -0.06 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 2k43 s LEU 82 Cb -0.18 -2.81 -0.06 0.00 0.03 0.00 0.00 46.19 43.17 2k43 s LEU 82 CO -0.09 -0.72 0.40 -1.61 0.23 0.00 0.00 176.35 174.56 2k43 s GLU 83 N 2.87 3.90 -0.18 1.70 0.41 -1.03 -4.97 118.70 121.40 2k43 s GLU 83 Ca 0.25 0.39 0.07 0.00 -0.41 0.00 0.00 54.97 55.27 2k43 s GLU 83 Cb -0.14 -3.21 0.47 0.00 -1.78 0.00 0.00 34.13 29.47 2k43 s GLU 83 CO 0.18 0.69 1.34 -0.85 -0.49 0.00 0.00 175.26 176.13 2k43 n GLU 84 N 1.79 2.91 -0.84 1.61 0.28 -1.26 -3.02 120.64 122.11 2k43 n GLU 84 Ca -0.14 -1.88 -0.17 0.00 -0.16 0.00 0.00 57.16 54.81 2k43 n GLU 84 Cb 0.52 -1.89 0.10 0.00 1.43 0.00 0.00 31.44 31.60 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2k43 n ASN 85 N 0.13 4.37 -3.08 -1.84 5.03 -1.26 -4.87 115.26 113.74 2k43 n ASN 85 Ca 0.22 -3.08 -0.15 0.00 0.87 0.00 0.00 54.58 52.44 2k43 n ASN 85 Cb 0.93 -0.80 0.08 0.00 -1.02 0.00 0.00 39.78 38.97 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2k43 n HIS 86 N -0.40 -1.88 -3.47 3.10 8.25 -1.22 -5.04 115.22 114.56 2k43 n HIS 86 Ca 0.38 0.80 -0.12 0.00 -0.26 0.00 0.00 57.72 58.52 2k43 n HIS 86 Cb 1.07 -4.64 -0.03 0.00 1.12 0.00 0.00 29.99 27.51 2k43 n HIS 86 CO 0.00 0.00 0.00 1.52 0.64 0.00 0.00 176.34 178.50 2k43 s TYR 87 N -3.31 -0.51 0.01 4.41 -0.85 -1.17 -5.05 117.35 110.89 2k43 s TYR 87 Ca 0.00 0.50 -0.12 0.00 -0.52 0.00 0.00 57.07 56.93 2k43 s TYR 87 Cb -0.00 0.51 -0.06 0.00 0.38 0.00 0.00 41.96 42.80 2k43 s TYR 87 CO 0.62 -0.70 0.38 -0.80 -1.52 0.00 0.00 175.55 173.54 2k43 s ASN 88 N -2.23 6.72 0.20 -0.18 -0.87 -0.36 -2.46 114.94 115.76 2k43 s ASN 88 Ca -0.01 0.86 0.09 0.00 -1.57 0.00 0.00 52.86 52.23 2k43 s ASN 88 Cb -0.01 -2.21 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 2k43 s ASN 88 CO -0.06 0.29 -0.18 -0.89 -2.57 0.00 0.00 177.10 173.68 2k43 s THR 89 N -1.17 2.00 -0.00 1.60 2.01 0.64 -1.47 115.64 119.24 2k43 s THR 89 Ca 0.26 -2.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.15 2k43 s THR 89 Cb -0.15 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.33 2k43 s THR 89 CO 0.14 -0.38 0.01 -0.31 -0.69 0.00 0.00 174.62 173.39 2k43 s TYR 90 N -2.32 0.05 0.10 4.92 2.02 -1.26 -0.92 117.35 119.94 2k43 s TYR 90 Ca 0.21 -0.09 0.02 0.00 -0.37 0.00 0.00 57.07 56.84 2k43 s TYR 90 Cb -0.05 -0.04 -0.04 0.00 -0.40 0.00 0.00 41.96 41.43 2k43 s TYR 90 CO 0.09 -0.06 0.18 -1.50 -1.57 0.00 0.00 175.55 172.69 2k43 s ILE 91 N -0.39 5.02 -0.62 2.71 1.10 0.51 -3.67 121.20 125.86 2k43 s ILE 91 Ca -0.04 -0.66 -0.23 0.00 -0.51 0.00 0.00 60.65 59.20 2k43 s ILE 91 Cb -0.03 -3.49 0.06 0.00 0.15 0.00 0.00 42.46 39.15 2k43 s ILE 91 CO -0.00 0.04 0.98 -0.55 -2.11 0.00 0.00 174.94 173.30 2k43 s SER 92 N -2.74 6.23 0.00 4.50 0.15 -1.18 -2.10 113.70 118.56 2k43 s SER 92 Ca 0.33 -0.70 0.20 0.00 0.70 0.00 0.00 55.95 56.48 2k43 s SER 92 Cb -0.12 -2.43 1.00 0.00 -1.71 0.00 0.00 66.02 62.75 2k43 s SER 92 CO 0.26 -1.39 1.64 0.29 1.20 0.00 0.00 173.24 175.24 2k43 n LYS 93 N 7.73 0.25 0.00 5.44 5.02 -1.25 0.70 118.16 136.05 2k43 n LYS 93 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2k43 n LYS 93 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 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 -1.31 0.00 -1.27 1.97 3.00 -1.26 -3.38 118.16 115.90 2k43 n LYS 94 Ca 0.09 0.43 -0.27 0.00 -0.00 0.00 0.00 58.31 58.55 2k43 n LYS 94 Cb 0.17 -1.31 0.03 0.00 0.00 0.00 0.00 35.03 33.92 2k43 n LYS 94 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2k43 n HIS 95 N -1.78 2.25 -0.29 5.64 8.25 -1.15 -4.68 115.22 123.46 2k43 n HIS 95 Ca 0.00 -2.33 -0.02 0.00 -0.26 0.00 0.00 57.72 55.10 2k43 n HIS 95 Cb 0.00 -1.22 0.09 0.00 1.12 0.00 0.00 29.99 29.98 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 2.13 1.05 0.00 -1.41 0.00 0.26 -1.97 119.26 119.32 2k43 h ALA 96 Ca 0.44 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2k43 h ALA 96 Cb 0.73 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k43 h ALA 96 CO 1.13 0.35 -0.13 0.93 0.00 0.00 0.00 179.25 181.53 2k43 h GLU 97 N 1.01 0.00 -0.02 0.00 4.39 -1.83 -1.41 114.58 116.72 2k43 h GLU 97 Ca 0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2k43 h GLU 97 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2k43 h GLU 97 CO -0.11 0.13 -0.04 1.63 -1.16 0.00 0.00 179.01 179.46 2k43 n LYS 98 N -3.49 1.83 -1.42 2.33 5.02 -0.77 -4.93 118.16 116.73 2k43 n LYS 98 Ca -0.01 -1.29 -0.00 0.00 -2.02 0.00 0.00 58.31 54.98 2k43 n LYS 98 Cb 0.28 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2k43 n ASN 99 N 0.55 -2.17 -4.81 4.39 4.05 -0.53 -5.03 115.26 111.71 2k43 n ASN 99 Ca 0.16 0.00 -0.29 0.00 0.45 0.00 0.00 54.58 54.90 2k43 n ASN 99 Cb 0.45 -0.51 0.11 0.00 1.23 0.00 0.00 39.78 41.06 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 -2.00 2.74 0.09 1.20 0.52 -1.03 -5.02 118.94 115.44 2k43 s TRP 100 Ca 0.00 1.00 0.09 0.00 0.02 0.00 0.00 56.10 57.21 2k43 s TRP 100 Cb 0.00 -3.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.04 2k43 s TRP 100 CO 0.00 -1.98 -0.23 -0.06 0.02 0.00 0.00 176.95 174.70 2k43 s PHE 101 N -3.24 1.99 -0.28 -1.98 0.40 -1.26 -3.12 117.98 110.49 2k43 s PHE 101 Ca 0.62 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 56.35 2k43 s PHE 101 Cb -0.14 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.26 2k43 s PHE 101 CO 0.53 0.21 0.63 0.54 0.70 0.00 0.00 175.22 177.83 2k43 s VAL 102 N -1.02 4.96 -0.01 -0.44 0.11 -1.24 -4.63 120.40 118.12 2k43 s VAL 102 Ca 0.09 1.01 0.02 0.00 -2.93 0.00 0.00 61.98 60.17 2k43 s VAL 102 Cb -0.10 -3.96 -0.00 0.00 -1.53 0.00 0.00 36.38 30.79 2k43 s VAL 102 CO 0.04 -0.05 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.86 2k43 s GLY 103 N 1.55 0.38 0.01 6.54 0.00 -1.26 -4.78 107.32 109.76 2k43 s GLY 103 Ca 0.26 -0.28 0.03 0.00 0.00 0.00 0.00 44.72 44.73 2k43 s GLY 103 CO 0.10 -0.16 -0.11 0.48 0.00 0.00 0.00 173.10 173.42 2k43 s LEU 104 N -0.00 2.08 -0.56 0.66 0.05 -0.98 -0.57 118.68 119.36 2k43 s LEU 104 Ca 0.00 -0.28 -0.16 0.00 0.05 0.00 0.00 54.13 53.74 2k43 s LEU 104 Cb -0.05 -0.49 0.13 0.00 -2.05 0.00 0.00 46.19 43.73 2k43 s LEU 104 CO -0.00 0.07 0.53 -0.75 -0.55 0.00 0.00 176.35 175.64 2k43 s LYS 105 N -0.59 3.02 0.38 1.48 2.47 -1.05 -4.55 119.74 120.90 2k43 s LYS 105 Ca 0.02 -1.72 0.27 0.00 -1.56 0.00 0.00 55.97 52.98 2k43 s LYS 105 Cb -0.05 -4.31 0.84 0.00 -1.46 0.00 0.00 37.83 32.85 2k43 s LYS 105 CO 0.00 -1.34 1.77 1.57 0.16 0.00 0.00 175.35 177.51 2k43 h LYS 106 N 8.86 0.00 0.00 4.03 -0.00 -1.78 0.93 116.57 128.60 2k43 h LYS 106 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 2k43 h LYS 106 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.33 2k43 h LYS 106 CO 1.03 0.00 0.00 -1.71 -0.00 0.00 0.00 179.45 178.77 2k43 n ASN 107 N -2.75 0.52 0.00 7.07 2.85 -1.26 -2.05 115.26 119.65 2k43 n ASN 107 Ca 0.03 0.59 0.00 0.00 -0.11 0.00 0.00 54.58 55.09 2k43 n ASN 107 Cb 0.39 -0.72 0.00 0.00 1.24 0.00 0.00 39.78 40.69 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 0.57 0.47 3.42 8.20 0.00 -0.33 -4.82 105.19 112.70 2k43 n GLY 108 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.50 -0.57 1.61 0.01 0.31 -1.26 113.70 114.30 2k43 s SER 109 Ca 0.00 0.45 -0.20 0.00 1.31 0.00 0.00 55.95 57.52 2k43 s SER 109 Cb 0.00 0.47 0.08 0.00 0.21 0.00 0.00 66.02 66.78 2k43 s SER 109 CO 0.00 -0.59 0.72 0.00 0.41 0.00 0.00 173.24 173.78 2k43 s LYS 111 N 2.87 0.13 -0.35 0.00 0.00 -1.24 -0.93 119.74 120.22 2k43 s LYS 111 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 55.97 56.03 2k43 s LYS 111 Cb -0.21 -1.77 0.14 0.00 0.00 0.00 0.00 37.83 35.99 2k43 s LYS 111 CO 0.09 -0.64 0.24 1.03 0.00 0.00 0.00 175.35 176.07 2k43 s ARG 112 N 2.11 0.53 -0.08 1.78 1.81 0.26 -4.52 118.95 120.83 2k43 s ARG 112 Ca 0.02 -1.11 -0.07 0.00 -1.72 0.00 0.00 55.73 52.85 2k43 s ARG 112 Cb -0.16 -1.13 -0.02 0.00 -0.45 0.00 0.00 34.95 33.19 2k43 s ARG 112 CO -0.08 -1.18 -0.14 0.41 -0.68 0.00 0.00 175.30 173.62 2k43 n GLY 113 N 4.24 -0.55 0.34 -3.53 0.00 0.13 -3.93 105.19 101.89 2k43 n GLY 113 Ca 0.10 -0.14 0.18 0.00 0.00 0.00 0.00 46.02 46.16 2k43 n GLY 113 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2k43 h PRO 114 N -0.45 0.00 0.00 1.61 0.11 -1.91 -2.54 132.00 128.82 2k43 h PRO 114 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2k43 h PRO 114 Cb 0.41 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 2k43 h PRO 114 CO 0.00 0.00 -0.20 0.54 -0.21 0.00 0.00 178.00 178.13 2k43 n ARG 115 N -3.65 1.15 -2.60 1.05 5.12 -1.26 -4.93 116.66 111.55 2k43 n ARG 115 Ca 0.01 -2.53 -0.42 0.00 -1.93 0.00 0.00 57.85 52.98 2k43 n ARG 115 Cb 0.32 -1.35 -0.02 0.00 -1.16 0.00 0.00 32.46 30.24 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2k43 s THR 116 N -2.51 4.05 -5.00 0.55 -4.23 -0.96 -3.95 115.64 103.59 2k43 s THR 116 Ca 0.30 0.90 0.00 0.00 -1.18 0.00 0.00 61.69 61.70 2k43 s THR 116 Cb 0.27 -4.71 0.00 0.00 1.34 0.00 0.00 72.50 69.40 2k43 s THR 116 CO -0.00 -1.31 0.00 1.41 -0.54 0.00 0.00 174.62 174.18 2k43 n HIS 117 N 8.35 0.00 -2.73 3.99 -0.00 -1.26 -4.29 115.22 119.28 2k43 n HIS 117 Ca 0.08 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.37 2k43 n HIS 117 Cb 0.49 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.48 2k43 n HIS 117 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k43 s TYR 118 N -2.18 3.05 -0.11 4.41 2.02 -1.26 -3.88 117.35 119.40 2k43 s TYR 118 Ca 0.00 -1.76 0.03 0.00 -0.37 0.00 0.00 57.07 54.96 2k43 s TYR 118 Cb 0.00 -4.57 -0.09 0.00 -0.40 0.00 0.00 41.96 36.91 2k43 s TYR 118 CO 0.00 -1.65 -0.08 0.41 -1.57 0.00 0.00 175.55 172.66 2k43 n GLY 119 N 5.01 -0.23 3.01 0.71 0.00 -1.26 -5.07 105.19 107.36 2k43 n GLY 119 Ca 0.42 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 2k43 n GLY 119 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k43 s GLN 120 N -2.24 0.39 -0.01 1.61 -1.52 -1.25 -5.01 119.66 111.63 2k43 s GLN 120 Ca -0.14 -0.61 0.02 0.00 -1.95 0.00 0.00 55.36 52.68 2k43 s GLN 120 Cb 0.04 -0.10 0.07 0.00 -0.22 0.00 0.00 33.01 32.80 2k43 s GLN 120 CO 0.30 0.01 0.78 1.63 -0.25 0.00 0.00 175.29 177.75 2k43 n LYS 121 N 1.72 1.29 0.00 2.91 5.02 -1.26 -3.06 118.16 124.78 2k43 n LYS 121 Ca -0.22 -0.27 0.11 0.00 -2.02 0.00 0.00 58.31 55.91 2k43 n LYS 121 Cb 0.55 -1.38 0.61 0.00 -0.02 0.00 0.00 35.03 34.80 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k43 n ALA 122 N -0.07 2.23 1.24 7.82 0.00 -1.26 -1.78 120.51 128.68 2k43 n ALA 122 Ca 0.02 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.47 2k43 n ALA 122 Cb 0.23 -1.37 0.36 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.20 0.06 -3.37 0.00 2.08 -1.17 -2.31 119.36 113.45 2k43 n ILE 123 Ca 0.13 -0.37 -0.45 0.00 0.56 0.00 0.00 62.75 62.62 2k43 n ILE 123 Cb 0.15 0.82 -0.05 0.00 -0.75 0.00 0.00 39.64 39.81 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2k43 s LEU 124 N -1.91 6.26 -0.01 1.39 1.43 -0.73 -4.68 118.68 120.43 2k43 s LEU 124 Ca 0.34 -2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 51.20 2k43 s LEU 124 Cb 0.20 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.21 2k43 s LEU 124 CO 0.31 -0.72 0.29 -0.36 0.23 0.00 0.00 176.35 176.10 2k43 s PHE 125 N 1.01 3.62 -0.09 0.29 0.40 -0.54 -4.03 117.98 118.64 2k43 s PHE 125 Ca 0.09 0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 57.08 2k43 s PHE 125 Cb -0.22 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2k43 s PHE 125 CO -0.02 0.63 0.02 -1.17 0.70 0.00 0.00 175.22 175.39 2k43 s LEU 126 N -1.48 0.56 -0.40 -0.37 2.96 -0.23 -1.22 118.68 118.49 2k43 s LEU 126 Ca 0.25 -0.17 -0.11 0.00 -0.22 0.00 0.00 54.13 53.87 2k43 s LEU 126 Cb -0.14 -0.39 0.05 0.00 0.50 0.00 0.00 46.19 46.22 2k43 s LEU 126 CO 0.13 -0.23 0.25 -2.16 -1.32 0.00 0.00 176.35 173.03 2k43 s PRO 127 N 2.01 2.76 -0.23 0.98 0.04 -1.26 -2.29 135.00 137.01 2k43 s PRO 127 Ca 0.04 -1.26 -0.07 0.00 0.04 0.00 0.00 61.00 59.75 2k43 s PRO 127 Cb -0.13 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.58 2k43 s PRO 127 CO -0.05 -0.84 0.05 -0.51 0.04 0.00 0.00 177.00 175.68 2k43 s LEU 128 N 1.52 3.42 0.56 -3.56 1.43 -1.07 -4.84 118.68 116.13 2k43 s LEU 128 Ca 0.03 -0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 52.87 2k43 s LEU 128 Cb -0.21 -1.90 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 2k43 s LEU 128 CO 0.05 0.02 0.91 -2.16 0.23 0.00 0.00 176.35 175.39 2k43 s PRO 129 N 1.30 3.40 0.48 1.29 0.04 -1.26 0.85 135.00 141.10 2k43 s PRO 129 Ca 0.05 0.36 -0.20 0.00 0.04 0.00 0.00 61.00 61.25 2k43 s PRO 129 Cb -0.15 -2.24 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2k43 s PRO 129 CO 0.03 -0.47 1.02 0.08 0.04 0.00 0.00 177.00 177.70 2k43 s VAL 130 N -2.97 3.93 0.69 -0.36 1.01 0.17 -4.87 120.40 118.00 2k43 s VAL 130 Ca 0.52 1.18 -0.11 0.00 0.00 0.00 0.00 61.98 63.57 2k43 s VAL 130 Cb -0.11 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2k43 s VAL 130 CO 0.48 -0.28 1.06 -0.94 0.00 0.00 0.00 175.10 175.43 2k43 s SER 131 N -2.08 5.55 -1.15 3.32 1.04 -1.26 0.30 113.70 119.42 2k43 s SER 131 Ca 0.66 1.38 -0.13 0.00 0.48 0.00 0.00 55.95 58.34 2k43 s SER 131 Cb -0.15 -2.28 0.20 0.00 0.10 0.00 0.00 66.02 63.90 2k43 s SER 131 CO 0.19 -1.30 1.30 -0.44 0.98 0.00 0.00 173.24 173.97 2k43 s SER 132 N -4.08 7.10 0.00 7.02 0.01 -1.26 -4.30 113.70 118.18 2k43 s SER 132 Ca 0.57 -3.08 0.00 0.00 1.31 0.00 0.00 55.95 54.76 2k43 s SER 132 Cb -0.12 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2k43 s SER 132 CO 0.54 -0.64 0.23 -0.67 0.41 0.00 0.00 173.24 173.11