#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 4.50 0.29 2.98 1.02 -1.00 -4.33 119.74 123.20 2k43 s LYS 2 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.05 2k43 s LYS 2 Cb 0.00 -3.34 0.00 0.00 -0.52 0.00 0.00 37.83 33.97 2k43 s LYS 2 CO 0.00 0.36 0.00 1.17 -0.92 0.00 0.00 175.35 175.96 2k43 n LYS 3 N 2.50 0.00 -3.39 1.68 4.81 -1.26 -4.96 118.16 117.54 2k43 n LYS 3 Ca -0.04 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.03 2k43 n LYS 3 Cb 0.50 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.49 2k43 n LYS 3 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k43 s PRO 4 N -2.00 4.04 0.23 1.64 0.05 -1.26 -4.58 135.00 133.12 2k43 s PRO 4 Ca 0.00 0.55 0.05 0.00 0.05 0.00 0.00 61.00 61.65 2k43 s PRO 4 Cb 0.00 -3.18 -0.03 0.00 0.05 0.00 0.00 34.50 31.34 2k43 s PRO 4 CO 0.00 0.63 0.32 0.15 0.05 0.00 0.00 177.00 178.15 2k43 s LYS 5 N -1.26 3.35 0.14 4.56 1.02 0.23 -2.20 119.74 125.59 2k43 s LYS 5 Ca 0.28 -0.79 0.04 0.00 0.02 0.00 0.00 55.97 55.53 2k43 s LYS 5 Cb -0.18 -2.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2k43 s LYS 5 CO 0.17 0.44 0.15 -0.48 -0.92 0.00 0.00 175.35 174.71 2k43 s LEU 6 N -3.83 3.93 -0.81 3.17 0.05 0.14 -1.53 118.68 119.80 2k43 s LEU 6 Ca 0.34 -0.03 -0.18 0.00 0.05 0.00 0.00 54.13 54.31 2k43 s LEU 6 Cb -0.09 -2.54 0.14 0.00 -2.05 0.00 0.00 46.19 41.65 2k43 s LEU 6 CO 0.28 0.09 0.93 -0.22 -0.55 0.00 0.00 176.35 176.89 2k43 s LEU 7 N -2.95 5.51 -0.57 1.48 1.98 -1.26 -2.96 118.68 119.91 2k43 s LEU 7 Ca 0.31 -2.00 -0.01 0.00 -2.89 0.00 0.00 54.13 49.54 2k43 s LEU 7 Cb -0.11 -2.33 0.15 0.00 0.66 0.00 0.00 46.19 44.56 2k43 s LEU 7 CO 0.24 -0.98 0.37 -0.47 -1.89 0.00 0.00 176.35 173.62 2k43 s TYR 8 N 2.15 3.39 -0.55 5.38 6.14 -1.03 -2.14 117.35 130.69 2k43 s TYR 8 Ca 0.24 -2.80 0.04 0.00 0.64 0.00 0.00 57.07 55.19 2k43 s TYR 8 Cb -0.11 -3.11 0.17 0.00 0.42 0.00 0.00 41.96 39.32 2k43 s TYR 8 CO -0.05 -0.84 0.41 0.00 0.64 0.00 0.00 175.55 175.72 2k43 s SER 10 N -0.66 0.27 -0.91 0.00 0.15 -1.26 -4.00 113.70 107.30 2k43 s SER 10 Ca 0.29 -0.66 -0.24 0.00 0.70 0.00 0.00 55.95 56.04 2k43 s SER 10 Cb -0.01 0.20 0.05 0.00 -1.71 0.00 0.00 66.02 64.55 2k43 s SER 10 CO -0.18 -0.50 1.36 0.21 1.20 0.00 0.00 173.24 175.33 2k43 s ASN 11 N -2.24 6.38 0.00 5.45 3.04 -1.26 -4.68 114.94 121.62 2k43 s ASN 11 Ca -0.03 -1.12 0.00 0.00 0.04 0.00 0.00 52.86 51.75 2k43 s ASN 11 Cb -0.00 -2.55 0.00 0.00 -1.54 0.00 0.00 41.25 37.16 2k43 s ASN 11 CO -0.06 -1.60 0.00 0.61 -3.04 0.00 0.00 177.10 173.01 2k43 n GLY 12 N 6.25 2.12 2.69 1.21 0.00 -1.26 -5.10 105.19 111.10 2k43 n GLY 12 Ca 0.21 0.27 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 2k43 n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k43 s GLY 13 N 0.00 -1.84 0.20 -0.02 0.00 -1.26 -5.18 107.32 99.22 2k43 s GLY 13 Ca 0.00 0.56 0.03 0.00 0.00 0.00 0.00 44.72 45.32 2k43 s GLY 13 CO 0.00 4.26 -0.01 0.30 0.00 0.00 0.00 173.10 177.65 2k43 s HIS 14 N 1.05 1.42 -0.04 1.90 3.76 -1.26 -4.23 115.29 117.89 2k43 s HIS 14 Ca 0.23 -0.93 -0.05 0.00 -0.15 0.00 0.00 55.06 54.16 2k43 s HIS 14 Cb 0.11 -0.81 0.01 0.00 1.11 0.00 0.00 32.58 33.00 2k43 s HIS 14 CO -0.11 -0.07 0.14 -0.06 -0.85 0.00 0.00 174.74 173.79 2k43 s PHE 15 N -3.48 -0.09 -0.17 1.40 0.40 0.13 -4.41 117.98 111.76 2k43 s PHE 15 Ca 0.26 0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 56.52 2k43 s PHE 15 Cb 0.05 0.02 -0.00 0.00 0.51 0.00 0.00 43.02 43.60 2k43 s PHE 15 CO 0.06 -0.13 1.01 -0.51 0.70 0.00 0.00 175.22 176.35 2k43 s LEU 16 N -0.35 4.17 0.06 -0.37 1.02 -0.91 0.25 118.68 122.55 2k43 s LEU 16 Ca -0.04 1.43 0.06 0.00 0.02 0.00 0.00 54.13 55.59 2k43 s LEU 16 Cb -0.03 -3.52 -0.03 0.00 0.02 0.00 0.00 46.19 42.63 2k43 s LEU 16 CO 0.00 -0.56 -0.16 -0.60 0.02 0.00 0.00 176.35 175.06 2k43 s ARG 17 N 2.62 1.00 -0.02 1.70 3.52 0.77 -4.55 118.95 123.99 2k43 s ARG 17 Ca 0.45 -0.93 -0.11 0.00 -0.13 0.00 0.00 55.73 55.02 2k43 s ARG 17 Cb -0.17 -1.08 -0.05 0.00 -1.56 0.00 0.00 34.95 32.09 2k43 s ARG 17 CO 0.12 0.26 0.32 0.96 -0.81 0.00 0.00 175.30 176.14 2k43 s ILE 18 N -1.03 5.19 0.23 4.11 -4.36 -1.24 -2.65 121.20 121.45 2k43 s ILE 18 Ca 0.02 0.54 0.09 0.00 -0.26 0.00 0.00 60.65 61.05 2k43 s ILE 18 Cb -0.09 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 39.97 2k43 s ILE 18 CO 0.02 0.53 -0.05 -0.76 0.24 0.00 0.00 174.94 174.92 2k43 s LEU 19 N -1.26 3.09 0.00 0.37 2.01 -1.05 -5.00 118.68 116.84 2k43 s LEU 19 Ca 0.23 -0.63 0.16 0.00 0.01 0.00 0.00 54.13 53.90 2k43 s LEU 19 Cb -0.15 -1.67 0.95 0.00 0.01 0.00 0.00 46.19 45.33 2k43 s LEU 19 CO 0.12 0.05 1.46 -2.65 1.01 0.00 0.00 176.35 176.33 2k43 n PRO 20 N -0.49 0.78 0.17 1.29 -0.02 -1.26 -1.94 135.00 133.52 2k43 n PRO 20 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 2k43 n PRO 20 Cb 0.57 -1.32 0.17 0.00 -0.02 0.00 0.00 33.50 32.91 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 -0.13 2.55 5.19 -1.94 -3.48 116.42 118.61 2k43 h ASP 21 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 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 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 2k43 n GLY 22 N 1.16 1.21 3.44 2.75 0.00 -0.82 -5.02 105.19 107.92 2k43 n GLY 22 Ca 0.03 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2k43 n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k43 s THR 23 N -2.13 2.63 -0.29 2.61 2.01 -0.92 -1.50 115.64 118.05 2k43 s THR 23 Ca 0.00 -1.43 0.02 0.00 0.31 0.00 0.00 61.69 60.59 2k43 s THR 23 Cb 0.00 -2.14 0.08 0.00 0.01 0.00 0.00 72.50 70.45 2k43 s THR 23 CO 0.00 0.21 -0.00 0.54 -0.69 0.00 0.00 174.62 174.68 2k43 s VAL 24 N -1.01 1.81 0.21 3.82 0.11 -1.21 -2.52 120.40 121.62 2k43 s VAL 24 Ca 0.15 -1.74 0.04 0.00 -2.93 0.00 0.00 61.98 57.50 2k43 s VAL 24 Cb -0.10 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.51 2k43 s VAL 24 CO 0.07 -0.36 -0.02 1.51 -3.33 0.00 0.00 175.10 172.96 2k43 s ASP 25 N 1.20 1.82 0.03 3.54 1.47 -1.08 -3.32 116.67 120.33 2k43 s ASP 25 Ca 0.02 -1.18 -0.19 0.00 1.18 0.00 0.00 52.55 52.38 2k43 s ASP 25 Cb -0.19 0.01 -0.06 0.00 -0.34 0.00 0.00 42.92 42.34 2k43 s ASP 25 CO -0.10 -0.47 0.56 -0.83 0.68 0.00 0.00 175.17 175.01 2k43 s GLY 26 N -3.28 2.62 -0.02 2.12 0.00 -0.84 -0.16 107.32 107.76 2k43 s GLY 26 Ca 0.26 0.00 -0.08 0.00 0.00 0.00 0.00 44.72 44.91 2k43 s GLY 26 CO 0.07 0.54 0.16 -1.59 0.00 0.00 0.00 173.10 172.28 2k43 s THR 27 N -0.74 0.06 -0.39 0.90 2.01 0.14 -4.51 115.64 113.11 2k43 s THR 27 Ca 0.29 -0.49 -0.26 0.00 0.31 0.00 0.00 61.69 61.54 2k43 s THR 27 Cb -0.19 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 71.94 2k43 s THR 27 CO 0.18 -0.27 0.95 0.00 -0.69 0.00 0.00 174.62 174.79 2k43 s ARG 28 N -0.98 3.79 0.39 4.92 1.70 -1.26 0.20 118.95 127.71 2k43 s ARG 28 Ca -0.11 0.53 0.08 0.00 -0.47 0.00 0.00 55.73 55.76 2k43 s ARG 28 Cb -0.06 -3.83 -0.06 0.00 -0.57 0.00 0.00 34.95 30.44 2k43 s ARG 28 CO 0.01 -1.03 0.12 0.34 -1.08 0.00 0.00 175.30 173.66 2k43 s ASP 29 N 1.98 4.30 -0.01 -2.89 2.15 -1.26 -4.97 116.67 115.98 2k43 s ASP 29 Ca 0.39 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 52.31 2k43 s ASP 29 Cb -0.11 -0.49 0.08 0.00 -0.30 0.00 0.00 42.92 42.09 2k43 s ASP 29 CO 0.21 -0.45 0.97 -1.14 -0.17 0.00 0.00 175.17 174.59 2k43 n ARG 30 N -1.13 1.25 -3.61 4.34 0.63 -1.26 -4.65 116.66 112.24 2k43 n ARG 30 Ca -0.02 -0.32 -0.23 0.00 -0.92 0.00 0.00 57.85 56.36 2k43 n ARG 30 Cb 0.64 -1.18 0.07 0.00 0.45 0.00 0.00 32.46 32.44 2k43 n ARG 30 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2k43 n SER 31 N -0.18 -5.10 -2.73 6.15 2.88 -1.26 -4.98 113.62 108.40 2k43 n SER 31 Ca 0.03 -0.60 -0.10 0.00 -1.33 0.00 0.00 58.87 56.87 2k43 n SER 31 Cb 0.14 -4.88 0.07 0.00 -0.75 0.00 0.00 64.21 58.78 2k43 n SER 31 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2k43 n ASP 32 N -3.02 0.12 -1.98 -3.46 2.03 -1.26 -4.91 116.55 104.06 2k43 n ASP 32 Ca -0.06 -1.22 -0.15 0.00 0.52 0.00 0.00 54.79 53.88 2k43 n ASP 32 Cb 0.58 -0.34 0.19 0.00 -0.72 0.00 0.00 41.12 40.83 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k43 n GLN 33 N -1.95 2.51 0.00 -0.67 10.64 -1.26 -2.68 117.38 123.97 2k43 n GLN 33 Ca 0.06 -2.59 0.00 0.00 -1.83 0.00 0.00 57.00 52.64 2k43 n GLN 33 Cb 0.21 -2.04 0.00 0.00 -0.86 0.00 0.00 30.24 27.55 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 -0.63 0.00 0.98 2.61 8.25 -1.26 -4.63 115.22 120.54 2k43 n HIS 34 Ca 0.46 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.98 2k43 n HIS 34 Cb 1.42 0.00 0.17 0.00 1.12 0.00 0.00 29.99 32.70 2k43 n HIS 34 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2k43 n ILE 35 N -0.53 0.42 -3.49 1.59 0.13 -1.09 -3.61 119.36 112.77 2k43 n ILE 35 Ca 0.00 -0.43 -0.42 0.00 -1.10 0.00 0.00 62.75 60.80 2k43 n ILE 35 Cb 0.00 0.23 -0.08 0.00 -0.84 0.00 0.00 39.64 38.95 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2k43 s GLN 36 N -1.58 2.66 -0.05 9.51 -2.07 -1.26 -4.24 119.66 122.63 2k43 s GLN 36 Ca 0.23 -1.65 0.03 0.00 -1.82 0.00 0.00 55.36 52.15 2k43 s GLN 36 Cb 0.12 -4.00 -0.03 0.00 -1.09 0.00 0.00 33.01 28.02 2k43 s GLN 36 CO 0.16 -1.16 -0.14 -0.48 -1.32 0.00 0.00 175.29 172.35 2k43 s LEU 37 N 1.45 2.74 -0.47 2.60 2.34 -0.58 -2.30 118.68 124.46 2k43 s LEU 37 Ca 0.04 -0.20 -0.19 0.00 0.06 0.00 0.00 54.13 53.84 2k43 s LEU 37 Cb -0.26 -1.56 0.04 0.00 -0.56 0.00 0.00 46.19 43.85 2k43 s LEU 37 CO 0.01 0.34 0.61 -1.58 -1.06 0.00 0.00 176.35 174.67 2k43 s GLN 38 N -0.67 3.17 -0.51 1.48 -0.44 0.20 0.78 119.66 123.67 2k43 s GLN 38 Ca 0.10 -0.68 -0.05 0.00 -2.50 0.00 0.00 55.36 52.22 2k43 s GLN 38 Cb -0.11 -4.03 0.13 0.00 -1.64 0.00 0.00 33.01 27.37 2k43 s GLN 38 CO 0.01 -1.10 0.34 -1.17 0.50 0.00 0.00 175.29 173.87 2k43 s LEU 39 N 2.64 5.46 0.33 3.68 0.20 -1.26 -1.50 118.68 128.23 2k43 s LEU 39 Ca 0.17 -2.27 0.08 0.00 0.69 0.00 0.00 54.13 52.81 2k43 s LEU 39 Cb -0.17 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.64 2k43 s LEU 39 CO 0.15 -0.54 0.14 -0.44 -0.29 0.00 0.00 176.35 175.36 2k43 s SER 40 N 1.77 4.74 -0.40 3.68 0.01 -1.03 -4.91 113.70 117.56 2k43 s SER 40 Ca 0.10 -0.72 -0.01 0.00 1.31 0.00 0.00 55.95 56.64 2k43 s SER 40 Cb -0.22 -0.79 0.11 0.00 0.21 0.00 0.00 66.02 65.33 2k43 s SER 40 CO -0.03 -0.25 0.18 0.00 0.41 0.00 0.00 173.24 173.55 2k43 s ALA 41 N -2.39 3.12 -0.09 1.44 0.00 -1.26 -0.23 121.76 122.36 2k43 s ALA 41 Ca 0.37 -2.58 0.18 0.00 0.00 0.00 0.00 51.96 49.93 2k43 s ALA 41 Cb -0.03 -2.33 -0.27 0.00 0.00 0.00 0.00 23.12 20.49 2k43 s ALA 41 CO 0.23 -1.79 0.28 0.39 0.00 0.00 0.00 175.76 174.87 2k43 n GLU 42 N 4.45 0.77 -4.08 0.00 1.02 -1.13 -4.90 120.64 116.77 2k43 n GLU 42 Ca -0.00 -0.11 -0.23 0.00 -0.02 0.00 0.00 57.16 56.80 2k43 n GLU 42 Cb 0.41 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.31 2k43 n GLU 42 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2k43 s SER 43 N -4.62 4.86 -0.07 1.62 0.01 -1.22 -5.04 113.70 109.23 2k43 s SER 43 Ca -0.08 -0.65 -0.29 0.00 1.31 0.00 0.00 55.95 56.24 2k43 s SER 43 Cb 0.10 -0.86 -0.07 0.00 0.21 0.00 0.00 66.02 65.40 2k43 s SER 43 CO 0.78 -0.23 1.99 0.54 0.41 0.00 0.00 173.24 176.73 2k43 s VAL 44 N -2.36 3.12 0.00 3.43 0.11 -1.26 -1.96 120.40 121.49 2k43 s VAL 44 Ca 0.37 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.56 2k43 s VAL 44 Cb -0.04 -3.11 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 2k43 s VAL 44 CO 0.23 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.57 2k43 n GLY 45 N 4.89 1.30 3.54 6.54 0.00 -1.26 -4.97 105.19 115.23 2k43 n GLY 45 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.10 2.60 0.03 1.61 2.12 -0.83 0.55 118.70 124.68 2k43 s GLU 46 Ca 0.00 -0.65 0.09 0.00 0.36 0.00 0.00 54.97 54.77 2k43 s GLU 46 Cb 0.00 -2.48 -0.03 0.00 0.26 0.00 0.00 34.13 31.88 2k43 s GLU 46 CO 0.00 0.63 -0.26 0.14 -0.54 0.00 0.00 175.26 175.23 2k43 s VAL 47 N -0.82 2.16 -0.17 3.70 -7.23 0.65 -2.83 120.40 115.86 2k43 s VAL 47 Ca 0.13 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.96 2k43 s VAL 47 Cb -0.11 -1.83 0.01 0.00 0.56 0.00 0.00 36.38 35.01 2k43 s VAL 47 CO 0.02 0.40 -0.16 -0.47 -0.31 0.00 0.00 175.10 174.58 2k43 s TYR 48 N -0.78 2.79 -0.34 2.82 5.04 0.69 -2.40 117.35 125.16 2k43 s TYR 48 Ca 0.12 -1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 53.32 2k43 s TYR 48 Cb -0.10 -1.92 -0.01 0.00 0.35 0.00 0.00 41.96 40.28 2k43 s TYR 48 CO 0.02 -0.62 0.38 0.42 -1.34 0.00 0.00 175.55 174.41 2k43 s ILE 49 N 1.07 5.15 0.12 3.14 1.01 -1.26 -2.45 121.20 127.97 2k43 s ILE 49 Ca -0.00 0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.85 2k43 s ILE 49 Cb -0.14 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2k43 s ILE 49 CO -0.05 -0.09 -0.19 -1.59 0.00 0.00 0.00 174.94 173.02 2k43 s LYS 50 N 2.07 1.12 0.22 2.79 -2.85 -0.56 -4.85 119.74 117.68 2k43 s LYS 50 Ca 0.13 -1.20 -0.30 0.00 -1.00 0.00 0.00 55.97 53.60 2k43 s LYS 50 Cb -0.16 -1.28 -0.09 0.00 -2.06 0.00 0.00 37.83 34.25 2k43 s LYS 50 CO 0.12 0.28 0.93 -1.54 0.10 0.00 0.00 175.35 175.24 2k43 s SER 51 N -2.11 7.62 0.00 0.03 1.04 -1.25 0.58 113.70 119.61 2k43 s SER 51 Ca 0.08 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.42 2k43 s SER 51 Cb -0.09 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.43 2k43 s SER 51 CO 0.04 0.14 0.00 0.41 0.98 0.00 0.00 173.24 174.81 2k43 n THR 52 N 1.64 0.00 -0.09 2.02 -1.04 -1.21 -4.76 114.28 110.84 2k43 n THR 52 Ca -0.02 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 2k43 n THR 52 Cb 0.47 -0.13 -0.12 0.00 -1.82 0.00 0.00 70.33 68.74 2k43 n THR 52 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k43 n GLU 53 N 0.00 0.65 -0.40 -2.82 1.02 -1.26 -4.68 120.64 113.14 2k43 n GLU 53 Ca 0.00 0.33 0.08 0.00 -0.02 0.00 0.00 57.16 57.55 2k43 n GLU 53 Cb 0.00 -1.63 0.23 0.00 -0.02 0.00 0.00 31.44 30.02 2k43 n GLU 53 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2k43 n THR 54 N -3.87 2.23 0.03 2.62 -2.24 -1.26 -4.85 114.28 106.95 2k43 n THR 54 Ca -0.40 -2.01 0.03 0.00 -2.27 0.00 0.00 64.05 59.40 2k43 n THR 54 Cb 0.90 -0.26 -0.08 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.72 -1.22 0.00 3.38 0.00 -0.97 -4.41 105.19 101.25 2k43 n GLY 55 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.76 0.00 -3.01 1.61 10.64 -1.20 -4.47 117.38 118.19 2k43 n GLN 56 Ca -0.09 0.00 -0.44 0.00 -1.83 0.00 0.00 57.00 54.64 2k43 n GLN 56 Cb 0.77 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.15 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 -1.38 4.94 -1.94 2.61 9.36 -1.10 -3.15 117.16 126.48 2k43 n TYR 57 Ca 0.00 -3.45 -0.32 0.00 3.32 0.00 0.00 57.90 57.45 2k43 n TYR 57 Cb 0.00 -2.07 -0.04 0.00 -0.63 0.00 0.00 39.34 36.59 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 0.87 3.22 -0.24 2.98 0.05 -0.91 -3.24 118.68 121.42 2k43 s LEU 58 Ca 0.40 0.06 0.01 0.00 0.05 0.00 0.00 54.13 54.65 2k43 s LEU 58 Cb -0.04 -2.54 0.06 0.00 -2.05 0.00 0.00 46.19 41.63 2k43 s LEU 58 CO -0.01 -2.70 -0.05 0.00 -0.55 0.00 0.00 176.35 173.04 2k43 s ALA 59 N 10.31 2.04 0.23 1.48 0.00 -0.88 -3.80 121.76 131.14 2k43 s ALA 59 Ca 0.74 -1.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.00 2k43 s ALA 59 Cb -0.11 -1.47 -0.09 0.00 0.00 0.00 0.00 23.12 21.46 2k43 s ALA 59 CO 0.13 -1.22 0.86 0.00 0.00 0.00 0.00 175.76 175.53 2k43 s MET 60 N 1.36 4.63 -0.31 0.00 0.23 -1.26 -1.10 119.30 122.84 2k43 s MET 60 Ca -0.05 1.27 -0.03 0.00 -1.03 0.00 0.00 55.69 55.85 2k43 s MET 60 Cb -0.19 -3.14 0.05 0.00 -1.53 0.00 0.00 34.83 30.02 2k43 s MET 60 CO -0.06 0.48 0.03 0.16 -2.03 0.00 0.00 175.02 173.59 2k43 s ASP 61 N -1.30 4.99 0.00 -1.18 1.47 0.81 -4.61 116.67 116.85 2k43 s ASP 61 Ca 0.41 -1.26 0.00 0.00 1.18 0.00 0.00 52.55 52.88 2k43 s ASP 61 Cb -0.23 -1.75 0.00 0.00 -0.34 0.00 0.00 42.92 40.61 2k43 s ASP 61 CO 0.27 -0.28 0.00 0.35 0.68 0.00 0.00 175.17 176.19 2k43 n THR 62 N 4.66 0.00 -1.06 2.11 -2.24 -1.26 -1.92 114.28 114.57 2k43 n THR 62 Ca -0.13 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2k43 n THR 62 Cb 0.44 -0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.25 -3.49 -0.09 3.42 2.03 -1.26 -4.81 116.55 112.10 2k43 n ASP 63 Ca 0.00 0.06 -0.09 0.00 0.52 0.00 0.00 54.79 55.27 2k43 n ASP 63 Cb 0.23 -1.18 -0.13 0.00 -0.72 0.00 0.00 41.12 39.32 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 -2.43 -0.74 3.00 0.27 0.00 -0.81 -3.35 105.19 101.12 2k43 n GLY 64 Ca -0.02 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -5.39 1.97 -0.03 0.99 1.43 -1.18 0.27 118.68 116.74 2k43 s LEU 65 Ca -0.12 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2k43 s LEU 65 Cb 0.05 0.26 0.03 0.00 0.03 0.00 0.00 46.19 46.56 2k43 s LEU 65 CO 0.66 -0.26 0.02 -1.48 0.23 0.00 0.00 176.35 175.52 2k43 s LEU 66 N -1.11 0.90 0.09 1.79 0.05 -1.23 -0.13 118.68 119.03 2k43 s LEU 66 Ca -0.12 0.01 0.08 0.00 0.05 0.00 0.00 54.13 54.15 2k43 s LEU 66 Cb -0.07 -0.17 -0.03 0.00 -2.05 0.00 0.00 46.19 43.86 2k43 s LEU 66 CO -0.00 -0.14 -0.22 -0.72 -0.55 0.00 0.00 176.35 174.72 2k43 s TYR 67 N 1.33 1.88 0.02 3.48 1.13 -0.26 -4.62 117.35 120.30 2k43 s TYR 67 Ca -0.06 -0.40 -0.28 0.00 -1.41 0.00 0.00 57.07 54.92 2k43 s TYR 67 Cb -0.13 -1.05 0.09 0.00 -1.10 0.00 0.00 41.96 39.78 2k43 s TYR 67 CO -0.03 0.20 0.82 0.20 -2.51 0.00 0.00 175.55 174.23 2k43 s GLY 68 N -1.78 -0.49 0.15 5.49 0.00 -0.56 -2.08 107.32 108.05 2k43 s GLY 68 Ca 0.08 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.81 2k43 s GLY 68 CO 0.04 0.40 0.00 -1.26 0.00 0.00 0.00 173.10 172.28 2k43 n SER 69 N -0.11 -0.69 -0.07 1.64 2.88 -1.25 -2.18 113.62 113.86 2k43 n SER 69 Ca -0.12 0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.48 2k43 n SER 69 Cb 0.62 0.80 -0.12 0.00 -0.75 0.00 0.00 64.21 64.76 2k43 n SER 69 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2k43 h GLN 70 N 0.00 0.08 -5.00 -1.46 4.15 -1.87 -2.94 115.11 108.06 2k43 h GLN 70 Ca 0.00 -0.14 -0.37 0.00 0.77 0.00 0.00 58.65 58.91 2k43 h GLN 70 Cb 0.00 0.05 -0.14 0.00 0.21 0.00 0.00 27.48 27.60 2k43 h GLN 70 CO 0.00 1.07 -0.64 0.95 -1.93 0.00 0.00 178.83 178.28 2k43 s THR 71 N -2.40 0.85 -0.33 2.39 -4.23 -1.19 -4.52 115.64 106.21 2k43 s THR 71 Ca -0.26 -2.01 -0.03 0.00 -1.18 0.00 0.00 61.69 58.21 2k43 s THR 71 Cb 0.05 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.49 2k43 s THR 71 CO 0.65 -0.20 0.06 -2.16 -0.54 0.00 0.00 174.62 172.43 2k43 s PRO 72 N -3.93 2.38 0.69 3.99 0.04 -1.25 -2.13 135.00 134.78 2k43 s PRO 72 Ca 0.32 -1.36 -0.02 0.00 0.04 0.00 0.00 61.00 59.98 2k43 s PRO 72 Cb 0.07 -3.32 0.10 0.00 0.04 0.00 0.00 34.50 31.39 2k43 s PRO 72 CO 0.10 -0.72 0.96 1.21 0.04 0.00 0.00 177.00 178.59 2k43 s ASN 73 N 1.39 4.57 -0.46 6.66 2.47 -1.26 -4.98 114.94 123.33 2k43 s ASN 73 Ca -0.02 -0.15 -0.10 0.00 0.42 0.00 0.00 52.86 53.01 2k43 s ASN 73 Cb -0.20 -0.36 0.11 0.00 -1.45 0.00 0.00 41.25 39.34 2k43 s ASN 73 CO -0.01 -1.70 0.33 -1.61 -3.72 0.00 0.00 177.10 170.39 2k43 s GLU 74 N -5.10 2.53 0.00 0.43 8.01 -1.26 -4.16 118.70 119.15 2k43 s GLU 74 Ca 0.64 -1.69 0.00 0.00 0.01 0.00 0.00 54.97 53.93 2k43 s GLU 74 Cb -0.07 -3.91 0.00 0.00 -4.31 0.00 0.00 34.13 25.84 2k43 s GLU 74 CO 0.43 -1.15 0.00 0.39 0.01 0.00 0.00 175.26 174.95 2k43 n GLU 75 N 4.93 1.77 -0.89 1.61 1.02 -1.26 -4.84 120.64 122.97 2k43 n GLU 75 Ca -0.09 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.91 2k43 n GLU 75 Cb 0.41 -0.61 0.16 0.00 -0.02 0.00 0.00 31.44 31.38 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 -2.44 4.38 0.16 0.00 1.43 -1.26 -4.39 118.68 116.57 2k43 s LEU 77 Ca 0.43 2.15 0.04 0.00 -1.03 0.00 0.00 54.13 55.71 2k43 s LEU 77 Cb 0.36 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.94 2k43 s LEU 77 CO 0.09 -0.51 -0.07 -0.36 0.23 0.00 0.00 176.35 175.73 2k43 s PHE 78 N 0.88 1.31 -0.11 0.29 0.08 -1.01 -3.22 117.98 116.19 2k43 s PHE 78 Ca 0.59 -0.82 -0.04 0.00 0.12 0.00 0.00 56.93 56.79 2k43 s PHE 78 Cb -0.32 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.40 2k43 s PHE 78 CO 0.31 0.03 0.03 -1.17 -0.10 0.00 0.00 175.22 174.32 2k43 s LEU 79 N -3.19 3.72 -0.15 -0.37 0.20 -0.57 -0.25 118.68 118.06 2k43 s LEU 79 Ca 0.19 0.16 -0.12 0.00 0.69 0.00 0.00 54.13 55.06 2k43 s LEU 79 Cb 0.04 -1.88 -0.05 0.00 -0.43 0.00 0.00 46.19 43.87 2k43 s LEU 79 CO 0.02 0.33 0.24 -0.70 -0.29 0.00 0.00 176.35 175.96 2k43 s GLU 80 N -0.60 4.11 -0.14 1.98 2.12 0.19 0.92 118.70 127.28 2k43 s GLU 80 Ca 0.10 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 2k43 s GLU 80 Cb -0.12 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.87 2k43 s GLU 80 CO 0.02 0.36 -0.05 0.50 -0.54 0.00 0.00 175.26 175.55 2k43 s ARG 81 N 0.13 3.53 -0.39 4.30 3.52 -0.09 -4.85 118.95 125.11 2k43 s ARG 81 Ca 0.15 -0.53 -0.19 0.00 -0.13 0.00 0.00 55.73 55.03 2k43 s ARG 81 Cb -0.13 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.42 2k43 s ARG 81 CO 0.03 0.30 0.55 -0.51 -0.81 0.00 0.00 175.30 174.87 2k43 s LEU 82 N 0.19 4.46 0.56 -0.88 1.43 -1.26 -0.82 118.68 122.35 2k43 s LEU 82 Ca -0.02 -0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2k43 s LEU 82 Cb -0.14 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 2k43 s LEU 82 CO 0.03 -0.59 0.88 -1.61 0.23 0.00 0.00 176.35 175.28 2k43 s GLU 83 N 2.51 3.19 -0.73 1.70 0.41 -1.00 -4.97 118.70 119.82 2k43 s GLU 83 Ca 0.19 0.15 -0.22 0.00 -0.41 0.00 0.00 54.97 54.68 2k43 s GLU 83 Cb -0.15 -2.28 0.07 0.00 -1.78 0.00 0.00 34.13 29.99 2k43 s GLU 83 CO 0.15 -0.53 1.05 -2.00 -0.49 0.00 0.00 175.26 173.44 2k43 s GLU 84 N -4.93 3.22 -1.14 1.61 2.12 -1.26 -4.28 118.70 114.03 2k43 s GLU 84 Ca 0.52 -0.93 -0.11 0.00 0.36 0.00 0.00 54.97 54.81 2k43 s GLU 84 Cb -0.10 -4.39 0.10 0.00 0.26 0.00 0.00 34.13 30.00 2k43 s GLU 84 CO 0.46 -1.87 0.40 0.09 -0.54 0.00 0.00 175.26 173.80 2k43 n ASN 85 N 7.76 -2.52 0.00 -1.70 3.02 -1.26 -4.57 115.26 116.00 2k43 n ASN 85 Ca 0.03 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2k43 n ASN 85 Cb 0.47 -2.15 0.00 0.00 -0.61 0.00 0.00 39.78 37.49 2k43 n ASN 85 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k43 n HIS 86 N -3.62 0.00 -3.70 3.10 1.44 -1.26 -5.15 115.22 106.03 2k43 n HIS 86 Ca 0.03 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.63 2k43 n HIS 86 Cb 0.51 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.56 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 -2.81 0.00 0.00 176.34 174.24 2k43 s TYR 87 N -0.86 -0.15 -0.10 -1.40 2.02 -1.26 -4.95 117.35 110.65 2k43 s TYR 87 Ca 0.00 -0.07 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2k43 s TYR 87 Cb 0.00 0.16 -0.03 0.00 -0.40 0.00 0.00 41.96 41.69 2k43 s TYR 87 CO 0.00 -0.60 -0.03 -0.80 -1.57 0.00 0.00 175.55 172.56 2k43 s ASN 88 N -2.42 4.98 0.29 2.29 -0.87 -0.29 -2.38 114.94 116.54 2k43 s ASN 88 Ca -0.01 0.03 0.10 0.00 -1.57 0.00 0.00 52.86 51.42 2k43 s ASN 88 Cb 0.01 -1.47 -0.05 0.00 -0.02 0.00 0.00 41.25 39.72 2k43 s ASN 88 CO -0.07 0.32 -0.07 -0.89 -2.57 0.00 0.00 177.10 173.82 2k43 s THR 89 N -0.55 2.85 0.04 1.60 2.01 0.00 -1.28 115.64 120.32 2k43 s THR 89 Ca 0.09 -2.11 -0.08 0.00 0.31 0.00 0.00 61.69 59.89 2k43 s THR 89 Cb -0.12 -2.63 -0.00 0.00 0.01 0.00 0.00 72.50 69.76 2k43 s THR 89 CO 0.02 -0.33 0.16 -0.31 -0.69 0.00 0.00 174.62 173.47 2k43 s TYR 90 N -2.45 0.11 0.15 4.92 2.02 -1.26 -0.91 117.35 119.93 2k43 s TYR 90 Ca 0.32 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.75 2k43 s TYR 90 Cb -0.04 -0.07 -0.04 0.00 -0.40 0.00 0.00 41.96 41.41 2k43 s TYR 90 CO 0.18 -0.41 -0.25 -1.50 -1.57 0.00 0.00 175.55 172.00 2k43 s ILE 91 N -2.66 2.20 -0.68 2.71 1.10 0.26 -0.28 121.20 123.85 2k43 s ILE 91 Ca -0.04 -1.85 -0.22 0.00 -0.51 0.00 0.00 60.65 58.03 2k43 s ILE 91 Cb -0.01 -1.99 0.08 0.00 0.15 0.00 0.00 42.46 40.70 2k43 s ILE 91 CO -0.05 -0.03 0.94 -0.44 -2.11 0.00 0.00 174.94 173.26 2k43 s SER 92 N -2.31 6.23 0.00 4.50 0.01 -1.05 -1.51 113.70 119.57 2k43 s SER 92 Ca 0.16 -1.19 0.19 0.00 1.31 0.00 0.00 55.95 56.42 2k43 s SER 92 Cb -0.09 -2.40 0.89 0.00 0.21 0.00 0.00 66.02 64.64 2k43 s SER 92 CO 0.07 -1.35 1.58 0.29 0.41 0.00 0.00 173.24 174.25 2k43 n LYS 93 N 7.35 0.18 0.09 12.44 4.76 -1.20 -0.41 118.16 141.37 2k43 n LYS 93 Ca -0.01 0.13 -0.05 0.00 -2.87 0.00 0.00 58.31 55.51 2k43 n LYS 93 Cb 0.45 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.12 2k43 n LYS 93 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2k43 h LYS 94 N 0.00 -0.28 -1.61 1.97 1.63 -1.84 -3.21 116.57 113.23 2k43 h LYS 94 Ca 0.00 0.02 -0.48 0.00 -0.85 0.00 0.00 60.65 59.34 2k43 h LYS 94 Cb 0.22 0.06 -0.19 0.00 -0.60 0.00 0.00 32.23 31.73 2k43 h LYS 94 CO 0.00 -0.19 0.55 0.72 -3.45 0.00 0.00 179.45 177.08 2k43 n HIS 95 N -4.01 2.00 -0.22 1.91 8.25 -1.16 -4.63 115.22 117.37 2k43 n HIS 95 Ca -0.04 -2.19 0.03 0.00 -0.26 0.00 0.00 57.72 55.26 2k43 n HIS 95 Cb 0.12 -1.20 0.29 0.00 1.12 0.00 0.00 29.99 30.31 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 2.17 1.56 0.00 -1.41 0.00 -0.74 -1.71 119.26 119.13 2k43 h ALA 96 Ca 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.28 2k43 h ALA 96 Cb 0.76 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k43 h ALA 96 CO 1.01 0.35 0.00 -0.85 0.00 0.00 0.00 179.25 179.77 2k43 n GLU 97 N -4.46 0.01 0.00 0.00 -0.00 -1.26 -1.49 120.64 113.45 2k43 n GLU 97 Ca 0.10 0.09 0.13 0.00 -0.00 0.00 0.00 57.16 57.48 2k43 n GLU 97 Cb 0.14 -1.50 0.31 0.00 -0.00 0.00 0.00 31.44 30.38 2k43 n GLU 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2k43 n LYS 98 N -1.49 1.67 -1.12 3.44 4.01 -0.65 -4.94 118.16 119.08 2k43 n LYS 98 Ca 0.06 -1.18 -0.01 0.00 -0.51 0.00 0.00 58.31 56.67 2k43 n LYS 98 Cb 0.28 -1.48 -0.00 0.00 -0.51 0.00 0.00 35.03 33.32 2k43 n LYS 98 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2k43 n ASN 99 N 0.37 -2.97 -4.76 4.39 3.02 -0.55 -5.00 115.26 109.76 2k43 n ASN 99 Ca 0.15 0.02 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 2k43 n ASN 99 Cb 0.44 -0.73 -0.04 0.00 -0.61 0.00 0.00 39.78 38.85 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 2k43 s TRP 100 N -2.04 3.42 0.21 3.10 0.52 -1.19 -5.03 118.94 117.93 2k43 s TRP 100 Ca 0.00 1.63 -0.06 0.00 0.02 0.00 0.00 56.10 57.69 2k43 s TRP 100 Cb 0.00 -3.37 -0.06 0.00 -1.15 0.00 0.00 33.47 28.89 2k43 s TRP 100 CO 0.00 -0.88 0.48 -0.06 0.02 0.00 0.00 176.95 176.51 2k43 s PHE 101 N -1.19 3.46 -0.34 -1.98 0.40 -1.26 -2.53 117.98 114.54 2k43 s PHE 101 Ca 0.47 0.67 -0.09 0.00 -0.60 0.00 0.00 56.93 57.38 2k43 s PHE 101 Cb -0.33 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.11 2k43 s PHE 101 CO 0.43 0.31 0.14 0.54 0.70 0.00 0.00 175.22 177.34 2k43 s VAL 102 N -1.83 4.26 -0.02 -0.44 0.11 0.61 -4.22 120.40 118.87 2k43 s VAL 102 Ca 0.44 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 2k43 s VAL 102 Cb -0.11 -3.31 0.02 0.00 -1.53 0.00 0.00 36.38 31.45 2k43 s VAL 102 CO 0.25 -0.10 0.01 -0.83 -3.33 0.00 0.00 175.10 171.10 2k43 s GLY 103 N 1.52 0.16 0.02 6.54 0.00 -1.26 -4.14 107.32 110.16 2k43 s GLY 103 Ca 0.02 0.17 0.08 0.00 0.00 0.00 0.00 44.72 44.98 2k43 s GLY 103 CO 0.05 0.50 -0.24 0.48 0.00 0.00 0.00 173.10 173.88 2k43 s LEU 104 N 0.82 2.12 -0.67 0.66 0.05 -1.11 -3.45 118.68 117.10 2k43 s LEU 104 Ca -0.08 -0.51 -0.19 0.00 0.05 0.00 0.00 54.13 53.41 2k43 s LEU 104 Cb -0.11 -1.19 0.12 0.00 -2.05 0.00 0.00 46.19 42.96 2k43 s LEU 104 CO -0.02 0.25 0.78 -0.75 -0.55 0.00 0.00 176.35 176.07 2k43 s LYS 105 N -0.94 3.18 0.41 1.48 2.36 -0.99 -4.59 119.74 120.65 2k43 s LYS 105 Ca 0.10 -1.48 0.22 0.00 -2.55 0.00 0.00 55.97 52.26 2k43 s LYS 105 Cb -0.09 -4.37 0.56 0.00 -1.05 0.00 0.00 37.83 32.87 2k43 s LYS 105 CO 0.01 -1.56 1.67 1.57 1.55 0.00 0.00 175.35 178.59 2k43 h LYS 106 N 9.01 0.00 0.00 4.03 5.09 -1.77 1.41 116.57 134.34 2k43 h LYS 106 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.55 2k43 h LYS 106 Cb 1.07 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.40 2k43 h LYS 106 CO 1.07 0.20 0.00 -1.71 -2.09 0.00 0.00 179.45 176.92 2k43 n ASN 107 N -3.21 0.37 0.00 7.07 2.85 -1.26 -2.06 115.26 119.01 2k43 n ASN 107 Ca 0.02 0.57 0.00 0.00 -0.11 0.00 0.00 54.58 55.06 2k43 n ASN 107 Cb 0.53 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.90 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 0.47 0.52 3.39 8.20 0.00 -0.57 -4.88 105.19 112.32 2k43 n GLY 108 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.43 -0.38 1.61 1.04 0.47 -1.99 113.70 115.02 2k43 s SER 109 Ca 0.00 0.16 -0.20 0.00 0.48 0.00 0.00 55.95 56.39 2k43 s SER 109 Cb 0.00 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.62 2k43 s SER 109 CO 0.00 -0.72 0.62 0.00 0.98 0.00 0.00 173.24 174.12 2k43 s LYS 111 N 2.69 2.04 -0.52 0.00 3.01 -1.26 -3.55 119.74 122.14 2k43 s LYS 111 Ca 0.23 -0.83 0.05 0.00 -1.01 0.00 0.00 55.97 54.40 2k43 s LYS 111 Cb -0.15 -2.40 0.18 0.00 -1.01 0.00 0.00 37.83 34.45 2k43 s LYS 111 CO 0.16 -0.42 0.42 0.54 0.51 0.00 0.00 175.35 176.56 2k43 n ARG 112 N 4.69 0.88 0.00 1.68 1.74 -0.72 -4.38 116.66 120.54 2k43 n ARG 112 Ca -0.15 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 53.24 2k43 n ARG 112 Cb 0.47 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2k43 n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k43 n GLY 113 N 2.37 0.74 0.37 -0.13 0.00 0.14 -3.99 105.19 104.69 2k43 n GLY 113 Ca 0.26 -0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 1.15 -0.65 1.61 0.11 -1.88 -2.78 132.00 129.56 2k43 h PRO 114 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2k43 h PRO 114 Cb 0.00 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.85 2k43 h PRO 114 CO 0.00 0.76 0.00 2.89 -0.21 0.00 0.00 178.00 181.44 2k43 n ARG 115 N -4.43 3.14 0.01 1.05 0.00 -1.26 -3.85 116.66 111.32 2k43 n ARG 115 Ca 0.12 -2.02 0.13 0.00 -0.00 0.00 0.00 57.85 56.08 2k43 n ARG 115 Cb 0.08 -1.81 0.47 0.00 -0.00 0.00 0.00 32.46 31.21 2k43 n ARG 115 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2k43 n THR 116 N 0.61 0.09 -1.07 8.89 -2.24 -1.05 -3.69 114.28 115.81 2k43 n THR 116 Ca 0.18 -0.05 -0.07 0.00 -2.27 0.00 0.00 64.05 61.84 2k43 n THR 116 Cb 0.73 -0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.73 2k43 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k43 n HIS 117 N -1.62 -3.79 -2.65 4.78 1.44 -1.25 -4.63 115.22 107.51 2k43 n HIS 117 Ca 0.06 -0.28 -0.43 0.00 -2.01 0.00 0.00 57.72 55.06 2k43 n HIS 117 Cb 0.35 -0.27 -0.00 0.00 0.12 0.00 0.00 29.99 30.20 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k43 s TYR 118 N -1.67 2.91 -0.08 -1.40 5.04 -1.26 -3.75 117.35 117.13 2k43 s TYR 118 Ca 0.19 -1.69 0.02 0.00 -2.44 0.00 0.00 57.07 53.15 2k43 s TYR 118 Cb -0.01 -4.67 -0.06 0.00 0.35 0.00 0.00 41.96 37.57 2k43 s TYR 118 CO 0.13 -1.74 -0.05 0.41 -1.34 0.00 0.00 175.55 172.97 2k43 n GLY 119 N 5.22 -0.17 3.11 8.97 0.00 -1.26 -5.09 105.19 115.97 2k43 n GLY 119 Ca 0.46 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 46.26 2k43 n GLY 119 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k43 s GLN 120 N -2.17 0.65 0.00 1.61 2.00 -1.24 -5.02 119.66 115.48 2k43 s GLN 120 Ca -0.10 -0.84 0.21 0.00 -2.00 0.00 0.00 55.36 52.63 2k43 s GLN 120 Cb 0.03 -0.51 0.76 0.00 0.80 0.00 0.00 33.01 34.09 2k43 s GLN 120 CO 0.22 0.10 1.55 1.17 -0.50 0.00 0.00 175.29 177.84 2k43 n LYS 121 N 1.39 1.70 0.00 1.67 4.81 -1.26 -3.30 118.16 123.17 2k43 n LYS 121 Ca -0.22 -1.05 0.12 0.00 -0.87 0.00 0.00 58.31 56.28 2k43 n LYS 121 Cb 0.54 -1.39 0.63 0.00 0.02 0.00 0.00 35.03 34.83 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 0.28 2.26 1.40 3.14 0.00 -1.26 -2.03 120.51 124.31 2k43 n ALA 122 Ca 0.16 -0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.61 2k43 n ALA 122 Cb 0.32 -1.38 0.46 0.00 0.00 0.00 0.00 19.45 18.85 2k43 n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k43 n ILE 123 N -1.17 0.03 -3.59 0.00 2.08 -1.21 -2.76 119.36 112.74 2k43 n ILE 123 Ca 0.14 -0.29 -0.40 0.00 0.56 0.00 0.00 62.75 62.75 2k43 n ILE 123 Cb 0.14 0.60 -0.09 0.00 -0.75 0.00 0.00 39.64 39.55 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 -1.95 5.64 0.10 1.39 2.01 -0.86 -4.70 118.68 120.31 2k43 s LEU 124 Ca 0.36 -2.02 -0.08 0.00 0.01 0.00 0.00 54.13 52.40 2k43 s LEU 124 Cb 0.21 -1.98 -0.06 0.00 0.01 0.00 0.00 46.19 44.37 2k43 s LEU 124 CO 0.32 -0.65 0.39 -0.36 1.01 0.00 0.00 176.35 177.06 2k43 s PHE 125 N 1.20 3.54 -0.09 0.29 0.40 -0.40 -4.21 117.98 118.71 2k43 s PHE 125 Ca 0.07 0.71 -0.01 0.00 -0.60 0.00 0.00 56.93 57.09 2k43 s PHE 125 Cb -0.25 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.21 2k43 s PHE 125 CO -0.02 0.49 -0.00 -1.17 0.70 0.00 0.00 175.22 175.22 2k43 s LEU 126 N -2.14 0.71 -0.42 -0.37 2.96 -0.51 -1.14 118.68 117.78 2k43 s LEU 126 Ca 0.35 -0.19 -0.12 0.00 -0.22 0.00 0.00 54.13 53.95 2k43 s LEU 126 Cb -0.13 -0.50 0.05 0.00 0.50 0.00 0.00 46.19 46.11 2k43 s LEU 126 CO 0.20 -0.20 0.28 -2.16 -1.32 0.00 0.00 176.35 173.15 2k43 s PRO 127 N 1.93 2.81 -0.26 0.98 0.04 -1.26 -2.47 135.00 136.77 2k43 s PRO 127 Ca 0.04 -1.26 -0.07 0.00 0.04 0.00 0.00 61.00 59.76 2k43 s PRO 127 Cb -0.13 -3.88 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 2k43 s PRO 127 CO -0.06 -0.87 0.06 -0.51 0.04 0.00 0.00 177.00 175.67 2k43 s LEU 128 N 1.55 3.52 0.35 -3.56 1.43 -1.16 -4.84 118.68 115.98 2k43 s LEU 128 Ca 0.03 -0.38 -0.15 0.00 -1.03 0.00 0.00 54.13 52.61 2k43 s LEU 128 Cb -0.22 -1.90 -0.09 0.00 0.03 0.00 0.00 46.19 44.02 2k43 s LEU 128 CO 0.06 -0.08 0.77 -2.16 0.23 0.00 0.00 176.35 175.16 2k43 s PRO 129 N 1.57 3.98 0.55 1.29 0.04 -1.26 0.28 135.00 141.45 2k43 s PRO 129 Ca 0.05 0.68 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 2k43 s PRO 129 Cb -0.16 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 31.95 2k43 s PRO 129 CO 0.03 0.09 1.36 0.08 0.04 0.00 0.00 177.00 178.60 2k43 s VAL 130 N -2.09 2.03 0.57 -0.36 1.01 -0.93 -4.83 120.40 115.79 2k43 s VAL 130 Ca 0.55 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 62.50 2k43 s VAL 130 Cb -0.10 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2k43 s VAL 130 CO 0.20 -0.00 0.87 -0.55 0.00 0.00 0.00 175.10 175.62 2k43 s SER 131 N -0.96 5.63 -1.18 3.32 0.15 -1.26 -1.51 113.70 117.89 2k43 s SER 131 Ca 0.72 0.66 -0.15 0.00 0.70 0.00 0.00 55.95 57.89 2k43 s SER 131 Cb -0.41 -1.69 0.15 0.00 -1.71 0.00 0.00 66.02 62.36 2k43 s SER 131 CO 0.48 -1.01 1.43 -0.44 1.20 0.00 0.00 173.24 174.90 2k43 s SER 132 N -4.29 6.98 0.00 5.45 0.01 -1.26 -3.30 113.70 117.29 2k43 s SER 132 Ca 0.53 -2.79 0.06 0.00 1.31 0.00 0.00 55.95 55.06 2k43 s SER 132 Cb -0.10 -2.43 0.05 0.00 0.21 0.00 0.00 66.02 63.75 2k43 s SER 132 CO 0.44 -0.85 0.69 0.47 0.41 0.00 0.00 173.24 174.40