#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 3.70 0.34 -3.48 1.02 -1.26 -4.45 119.74 115.60 2k43 s LYS 2 Ca 0.00 -0.26 -0.14 0.00 0.02 0.00 0.00 55.97 55.59 2k43 s LYS 2 Cb 0.00 -3.18 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2k43 s LYS 2 CO 0.00 0.51 0.75 1.63 -0.92 0.00 0.00 175.35 177.31 2k43 n LYS 3 N 2.82 0.98 -1.47 1.68 4.76 -1.26 -4.84 118.16 120.83 2k43 n LYS 3 Ca -0.18 -1.94 -0.50 0.00 -2.87 0.00 0.00 58.31 52.83 2k43 n LYS 3 Cb 0.53 2.44 -0.04 0.00 -1.84 0.00 0.00 35.03 36.12 2k43 n LYS 3 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2k43 n PRO 4 N -0.51 0.35 -1.82 1.97 -0.04 -1.26 -4.49 135.00 129.20 2k43 n PRO 4 Ca -0.07 0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.20 2k43 n PRO 4 Cb 0.54 -1.34 0.03 0.00 -0.04 0.00 0.00 33.50 32.69 2k43 n PRO 4 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2k43 s LYS 5 N -0.80 3.18 -0.13 0.54 -0.14 0.25 -2.88 119.74 119.78 2k43 s LYS 5 Ca 0.70 0.67 -0.05 0.00 -1.36 0.00 0.00 55.97 55.93 2k43 s LYS 5 Cb -0.95 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 33.12 2k43 s LYS 5 CO 0.56 -0.85 0.04 -1.17 -0.76 0.00 0.00 175.35 173.17 2k43 s LEU 6 N -5.32 3.77 -0.56 3.17 1.98 0.23 -1.54 118.68 120.41 2k43 s LEU 6 Ca 0.57 0.16 -0.19 0.00 -2.89 0.00 0.00 54.13 51.78 2k43 s LEU 6 Cb -0.12 -1.91 0.09 0.00 0.66 0.00 0.00 46.19 44.92 2k43 s LEU 6 CO 0.53 0.30 0.65 -0.22 -1.89 0.00 0.00 176.35 175.73 2k43 s LEU 7 N -0.39 5.33 -0.36 -0.68 0.20 -1.26 -2.30 118.68 119.22 2k43 s LEU 7 Ca 0.09 -1.30 0.04 0.00 0.69 0.00 0.00 54.13 53.65 2k43 s LEU 7 Cb -0.12 -2.33 0.10 0.00 -0.43 0.00 0.00 46.19 43.41 2k43 s LEU 7 CO 0.02 -1.01 0.07 -0.47 -0.29 0.00 0.00 176.35 174.67 2k43 s TYR 8 N 2.55 3.68 -0.11 5.38 5.04 -1.15 -3.29 117.35 129.45 2k43 s TYR 8 Ca 0.12 -3.01 -0.11 0.00 -2.44 0.00 0.00 57.07 51.63 2k43 s TYR 8 Cb -0.23 -2.90 -0.05 0.00 0.35 0.00 0.00 41.96 39.13 2k43 s TYR 8 CO 0.08 -0.93 0.24 0.00 -1.34 0.00 0.00 175.55 173.60 2k43 s SER 10 N -0.60 5.96 0.30 0.00 0.01 -1.12 -4.30 113.70 113.95 2k43 s SER 10 Ca 0.17 -1.48 0.07 0.00 1.31 0.00 0.00 55.95 56.02 2k43 s SER 10 Cb -0.13 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2k43 s SER 10 CO 0.06 -0.64 0.29 0.21 0.41 0.00 0.00 173.24 173.56 2k43 s ASN 11 N 2.58 5.50 -0.54 2.44 2.47 -1.26 -5.03 114.94 121.10 2k43 s ASN 11 Ca 0.04 -0.35 -0.25 0.00 0.42 0.00 0.00 52.86 52.71 2k43 s ASN 11 Cb -0.25 -1.18 -0.23 0.00 -1.45 0.00 0.00 41.25 38.14 2k43 s ASN 11 CO 0.04 -0.25 1.82 0.61 -3.72 0.00 0.00 177.10 175.60 2k43 n GLY 12 N -1.35 1.88 0.00 1.21 0.00 -1.26 -4.34 105.19 101.32 2k43 n GLY 12 Ca -0.04 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 4.71 0.43 3.33 -0.02 0.00 -1.26 -5.16 105.19 107.22 2k43 n GLY 13 Ca 0.49 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 1.57 -0.08 1.61 3.76 -1.26 -4.78 115.29 116.11 2k43 s HIS 14 Ca 0.00 -1.03 -0.01 0.00 -0.15 0.00 0.00 55.06 53.88 2k43 s HIS 14 Cb 0.00 -0.93 0.03 0.00 1.11 0.00 0.00 32.58 32.79 2k43 s HIS 14 CO 0.00 -0.15 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.65 2k43 s PHE 15 N -3.54 0.90 -0.24 1.40 0.08 -0.78 -4.76 117.98 111.04 2k43 s PHE 15 Ca 0.32 -0.32 -0.21 0.00 0.12 0.00 0.00 56.93 56.84 2k43 s PHE 15 Cb 0.07 -0.90 -0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2k43 s PHE 15 CO 0.11 -0.36 0.66 -1.17 -0.10 0.00 0.00 175.22 174.36 2k43 s LEU 16 N 1.74 4.09 0.10 -0.37 0.20 -1.21 -0.28 118.68 122.95 2k43 s LEU 16 Ca 0.03 0.79 0.04 0.00 0.69 0.00 0.00 54.13 55.68 2k43 s LEU 16 Cb -0.13 -2.91 -0.03 0.00 -0.43 0.00 0.00 46.19 42.68 2k43 s LEU 16 CO -0.05 -0.37 -0.12 0.00 -0.29 0.00 0.00 176.35 175.52 2k43 s ARG 17 N 2.40 0.87 0.05 1.98 3.03 0.13 -4.54 118.95 122.88 2k43 s ARG 17 Ca 0.28 -1.12 -0.10 0.00 2.03 0.00 0.00 55.73 56.82 2k43 s ARG 17 Cb -0.16 -0.67 -0.06 0.00 -1.03 0.00 0.00 34.95 33.03 2k43 s ARG 17 CO 0.09 0.12 0.37 0.96 -1.13 0.00 0.00 175.30 175.72 2k43 s ILE 18 N -2.10 5.13 0.22 4.99 -4.36 -1.15 -1.69 121.20 122.23 2k43 s ILE 18 Ca 0.04 0.45 0.10 0.00 -0.26 0.00 0.00 60.65 60.98 2k43 s ILE 18 Cb -0.05 -3.64 -0.05 0.00 1.25 0.00 0.00 42.46 39.98 2k43 s ILE 18 CO 0.01 0.34 -0.19 -1.48 0.24 0.00 0.00 174.94 173.86 2k43 s LEU 19 N -1.77 2.51 0.00 0.37 2.34 -0.74 -4.94 118.68 116.44 2k43 s LEU 19 Ca 0.31 -0.95 0.04 0.00 0.06 0.00 0.00 54.13 53.58 2k43 s LEU 19 Cb -0.14 -0.96 0.22 0.00 -0.56 0.00 0.00 46.19 44.76 2k43 s LEU 19 CO 0.17 -0.00 0.90 -2.65 -1.06 0.00 0.00 176.35 173.70 2k43 n PRO 20 N -0.14 0.73 0.17 1.48 -0.02 -1.26 -2.00 135.00 133.95 2k43 n PRO 20 Ca -0.09 0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.44 2k43 n PRO 20 Cb 0.58 -1.08 0.10 0.00 -0.02 0.00 0.00 33.50 33.08 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 0.00 0.00 0.00 2.55 3.58 -1.95 -3.47 116.42 117.12 2k43 h ASP 21 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k43 h ASP 21 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2k43 h ASP 21 CO 0.00 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 177.31 2k43 n GLY 22 N 1.11 1.84 3.34 -0.78 0.00 -0.85 -5.01 105.19 104.85 2k43 n GLY 22 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 2.06 -0.26 2.61 2.01 -0.92 -1.38 115.64 117.75 2k43 s THR 23 Ca 0.00 -1.55 0.00 0.00 0.31 0.00 0.00 61.69 60.45 2k43 s THR 23 Cb 0.00 -1.81 0.08 0.00 0.01 0.00 0.00 72.50 70.77 2k43 s THR 23 CO 0.00 0.16 0.01 0.54 -0.69 0.00 0.00 174.62 174.63 2k43 s VAL 24 N -0.97 1.38 0.15 3.82 0.11 -1.26 -1.80 120.40 121.83 2k43 s VAL 24 Ca 0.11 -1.37 0.05 0.00 -2.93 0.00 0.00 61.98 57.85 2k43 s VAL 24 Cb -0.10 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 2k43 s VAL 24 CO 0.04 -0.33 -0.12 1.51 -3.33 0.00 0.00 175.10 172.88 2k43 s ASP 25 N 1.42 1.92 -0.05 3.54 1.47 -0.68 -3.38 116.67 120.91 2k43 s ASP 25 Ca 0.01 -0.95 -0.17 0.00 1.18 0.00 0.00 52.55 52.61 2k43 s ASP 25 Cb -0.18 -0.04 -0.05 0.00 -0.34 0.00 0.00 42.92 42.31 2k43 s ASP 25 CO -0.11 -0.26 0.47 -0.83 0.68 0.00 0.00 175.17 175.12 2k43 s GLY 26 N -2.96 2.47 -0.00 2.12 0.00 -0.64 0.21 107.32 108.50 2k43 s GLY 26 Ca 0.15 -0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.60 2k43 s GLY 26 CO 0.02 0.55 0.23 -1.59 0.00 0.00 0.00 173.10 172.31 2k43 s THR 27 N -0.14 0.07 -0.57 0.90 2.01 0.61 -4.32 115.64 114.21 2k43 s THR 27 Ca 0.26 -0.59 -0.25 0.00 0.31 0.00 0.00 61.69 61.42 2k43 s THR 27 Cb -0.16 -0.55 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2k43 s THR 27 CO 0.13 -0.32 1.03 -0.60 -0.69 0.00 0.00 174.62 174.16 2k43 s ARG 28 N -1.41 3.38 -0.20 4.92 3.52 -1.26 -1.86 118.95 126.04 2k43 s ARG 28 Ca -0.14 -0.11 -0.04 0.00 -0.13 0.00 0.00 55.73 55.31 2k43 s ARG 28 Cb -0.06 -4.05 0.10 0.00 -1.56 0.00 0.00 34.95 29.38 2k43 s ARG 28 CO 0.03 -1.57 0.33 0.34 -0.81 0.00 0.00 175.30 173.62 2k43 s ASP 29 N 2.92 0.38 -0.04 -2.12 2.15 -1.26 -4.99 116.67 113.71 2k43 s ASP 29 Ca 0.34 0.38 0.05 0.00 0.43 0.00 0.00 52.55 53.75 2k43 s ASP 29 Cb -0.11 0.93 0.08 0.00 -0.30 0.00 0.00 42.92 43.52 2k43 s ASP 29 CO 0.21 -0.28 0.93 -2.11 -0.17 0.00 0.00 175.17 173.75 2k43 n ARG 30 N 5.36 1.01 0.07 4.34 -4.01 -1.26 -4.69 116.66 117.47 2k43 n ARG 30 Ca -0.05 -1.44 0.11 0.00 -1.04 0.00 0.00 57.85 55.43 2k43 n ARG 30 Cb 0.50 -0.89 -0.01 0.00 -3.04 0.00 0.00 32.46 29.03 2k43 n ARG 30 CO 0.00 0.00 0.00 0.45 -3.04 0.00 0.00 177.63 175.04 2k43 n SER 31 N -0.51 0.65 -3.23 2.89 2.88 -1.26 -4.92 113.62 110.12 2k43 n SER 31 Ca 0.04 0.14 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 2k43 n SER 31 Cb 0.54 0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 64.71 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 -2.40 2.50 -3.88 -3.46 -0.08 -1.26 -5.06 116.55 102.90 2k43 n ASP 32 Ca 0.00 -1.99 -0.40 0.00 -1.51 0.00 0.00 54.79 50.89 2k43 n ASP 32 Cb 0.52 0.13 -0.00 0.00 2.34 0.00 0.00 41.12 44.10 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 -0.66 4.21 0.00 -0.67 10.64 -1.26 -4.50 117.38 125.13 2k43 n GLN 33 Ca -0.08 -4.59 0.00 0.00 -1.83 0.00 0.00 57.00 50.50 2k43 n GLN 33 Cb 0.29 -2.46 0.00 0.00 -0.86 0.00 0.00 30.24 27.21 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 1.15 0.00 -0.04 2.61 8.25 -1.26 -4.65 115.22 121.28 2k43 n HIS 34 Ca 0.28 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.76 2k43 n HIS 34 Cb 0.34 0.00 0.21 0.00 1.12 0.00 0.00 29.99 31.66 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 -1.86 1.56 -3.41 1.59 -0.00 -1.26 -2.94 119.36 113.03 2k43 n ILE 35 Ca 0.00 -0.78 -0.44 0.00 -0.00 0.00 0.00 62.75 61.53 2k43 n ILE 35 Cb 0.41 -0.42 -0.05 0.00 -0.00 0.00 0.00 39.64 39.58 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2k43 s GLN 36 N -1.93 3.06 -0.13 6.28 -2.07 -1.26 -4.35 119.66 119.26 2k43 s GLN 36 Ca 0.29 -2.09 0.00 0.00 -1.82 0.00 0.00 55.36 51.75 2k43 s GLN 36 Cb 0.23 -4.21 -0.01 0.00 -1.09 0.00 0.00 33.01 27.93 2k43 s GLN 36 CO 0.08 -1.27 -0.14 -0.48 -1.32 0.00 0.00 175.29 172.17 2k43 s LEU 37 N 0.84 2.68 -0.46 2.60 0.05 -0.59 -2.76 118.68 121.04 2k43 s LEU 37 Ca 0.11 -0.34 -0.20 0.00 0.05 0.00 0.00 54.13 53.75 2k43 s LEU 37 Cb -0.21 -1.60 0.03 0.00 -2.05 0.00 0.00 46.19 42.37 2k43 s LEU 37 CO -0.03 0.17 0.62 -1.58 -0.55 0.00 0.00 176.35 174.98 2k43 s GLN 38 N 0.35 3.21 -0.51 1.48 0.74 0.91 0.87 119.66 126.71 2k43 s GLN 38 Ca -0.11 -0.57 -0.15 0.00 0.05 0.00 0.00 55.36 54.57 2k43 s GLN 38 Cb -0.16 -4.00 0.10 0.00 1.10 0.00 0.00 33.01 30.05 2k43 s GLN 38 CO 0.06 -1.07 0.45 -0.51 -0.55 0.00 0.00 175.29 173.66 2k43 s LEU 39 N 2.73 5.91 0.36 3.68 1.43 -1.26 -2.18 118.68 129.34 2k43 s LEU 39 Ca 0.19 -1.58 0.08 0.00 -1.03 0.00 0.00 54.13 51.79 2k43 s LEU 39 Cb -0.16 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2k43 s LEU 39 CO 0.16 -0.75 0.24 -0.94 0.23 0.00 0.00 176.35 175.28 2k43 s SER 40 N 3.10 4.88 -0.41 2.29 1.04 -1.02 -4.94 113.70 118.63 2k43 s SER 40 Ca 0.04 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 2k43 s SER 40 Cb -0.27 -0.72 0.11 0.00 0.10 0.00 0.00 66.02 65.24 2k43 s SER 40 CO 0.05 -0.42 0.20 0.00 0.98 0.00 0.00 173.24 174.04 2k43 s ALA 41 N -2.43 3.15 -0.22 5.32 0.00 -1.26 -0.66 121.76 125.66 2k43 s ALA 41 Ca 0.41 -2.60 -0.17 0.00 0.00 0.00 0.00 51.96 49.61 2k43 s ALA 41 Cb -0.03 -2.37 -0.18 0.00 0.00 0.00 0.00 23.12 20.54 2k43 s ALA 41 CO 0.25 -1.81 0.06 -1.91 0.00 0.00 0.00 175.76 172.35 2k43 n GLU 42 N 4.46 0.60 -4.22 0.00 4.07 -1.13 -4.91 120.64 119.50 2k43 n GLU 42 Ca -0.01 0.44 -0.23 0.00 -0.06 0.00 0.00 57.16 57.30 2k43 n GLU 42 Cb 0.41 -1.67 -0.06 0.00 -0.06 0.00 0.00 31.44 30.06 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 -7.03 4.76 -0.03 4.31 0.01 -1.23 -5.04 113.70 109.45 2k43 s SER 43 Ca -0.31 -0.59 -0.29 0.00 1.31 0.00 0.00 55.95 56.07 2k43 s SER 43 Cb 0.08 -0.94 -0.08 0.00 0.21 0.00 0.00 66.02 65.30 2k43 s SER 43 CO 0.59 -0.06 2.04 -0.69 0.41 0.00 0.00 173.24 175.53 2k43 s VAL 44 N -2.30 3.01 0.00 3.43 1.01 -1.26 -1.79 120.40 122.50 2k43 s VAL 44 Ca 0.33 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.32 2k43 s VAL 44 Cb -0.06 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2k43 s VAL 44 CO 0.21 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.92 2k43 n GLY 45 N 4.88 2.91 3.84 4.51 0.00 -1.26 -5.01 105.19 115.06 2k43 n GLY 45 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 2k43 n GLY 45 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k43 s GLU 46 N -0.09 3.31 0.03 1.61 -1.05 -0.74 -1.08 118.70 120.70 2k43 s GLU 46 Ca 0.00 -0.26 0.08 0.00 -0.15 0.00 0.00 54.97 54.64 2k43 s GLU 46 Cb 0.00 -3.06 -0.03 0.00 -0.44 0.00 0.00 34.13 30.60 2k43 s GLU 46 CO 0.00 0.73 -0.21 0.14 0.95 0.00 0.00 175.26 176.88 2k43 s VAL 47 N -1.07 2.58 -0.17 1.83 -7.23 -0.82 -2.84 120.40 112.68 2k43 s VAL 47 Ca 0.18 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.13 2k43 s VAL 47 Cb -0.12 -2.05 0.00 0.00 0.56 0.00 0.00 36.38 34.77 2k43 s VAL 47 CO 0.07 0.37 -0.15 -0.47 -0.31 0.00 0.00 175.10 174.61 2k43 s TYR 48 N -0.87 2.79 -0.53 2.82 5.04 0.16 -3.16 117.35 123.61 2k43 s TYR 48 Ca 0.13 -1.15 -0.16 0.00 -2.44 0.00 0.00 57.07 53.45 2k43 s TYR 48 Cb -0.10 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.41 2k43 s TYR 48 CO 0.04 -0.55 0.50 0.42 -1.34 0.00 0.00 175.55 174.62 2k43 s ILE 49 N 0.96 5.17 0.12 3.14 1.01 -1.26 -2.44 121.20 127.90 2k43 s ILE 49 Ca -0.02 -1.34 0.11 0.00 0.00 0.00 0.00 60.65 59.39 2k43 s ILE 49 Cb -0.15 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.98 2k43 s ILE 49 CO -0.03 -0.83 -0.27 -1.59 0.00 0.00 0.00 174.94 172.23 2k43 s LYS 50 N 1.72 1.47 -0.07 2.79 -2.85 -0.93 -4.66 119.74 117.22 2k43 s LYS 50 Ca 0.04 -1.31 -0.28 0.00 -1.00 0.00 0.00 55.97 53.42 2k43 s LYS 50 Cb -0.28 -1.92 -0.02 0.00 -2.06 0.00 0.00 37.83 33.55 2k43 s LYS 50 CO 0.04 0.46 0.90 0.45 0.10 0.00 0.00 175.35 177.30 2k43 s SER 51 N -1.95 7.19 0.00 0.03 0.15 -1.14 -0.06 113.70 117.92 2k43 s SER 51 Ca 0.14 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.24 2k43 s SER 51 Cb -0.10 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2k43 s SER 51 CO 0.06 -0.29 0.00 0.35 1.20 0.00 0.00 173.24 174.55 2k43 n THR 52 N 4.15 0.00 -0.10 6.45 -2.24 -1.23 -4.72 114.28 116.60 2k43 n THR 52 Ca 0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 2k43 n THR 52 Cb 0.50 -0.05 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 2k43 n THR 52 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k43 h GLU 53 N 0.00 0.00 -0.09 -0.78 3.07 -1.95 -3.42 114.58 111.41 2k43 h GLU 53 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 2k43 h GLU 53 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2k43 h GLU 53 CO 0.00 0.85 -0.06 0.25 -1.40 0.00 0.00 179.01 178.64 2k43 n THR 54 N -4.48 2.08 0.04 1.13 -2.24 -1.26 -4.93 114.28 104.61 2k43 n THR 54 Ca -0.27 -2.32 0.02 0.00 -2.27 0.00 0.00 64.05 59.22 2k43 n THR 54 Cb 0.60 -0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.50 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 -1.15 -1.22 0.00 3.38 0.00 -1.11 -4.26 105.19 100.83 2k43 n GLY 55 Ca 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.80 0.00 -2.84 1.61 -0.06 -1.26 -4.02 117.38 108.01 2k43 n GLN 56 Ca -0.09 0.00 -0.40 0.00 -2.00 0.00 0.00 57.00 54.52 2k43 n GLN 56 Cb 0.79 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.97 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 -0.20 0.00 0.00 177.06 177.84 2k43 n TYR 57 N -1.41 2.74 -2.32 3.69 9.36 -1.11 -2.87 117.16 125.24 2k43 n TYR 57 Ca 0.00 -2.78 -0.37 0.00 3.32 0.00 0.00 57.90 58.07 2k43 n TYR 57 Cb 0.00 -1.12 -0.04 0.00 -0.63 0.00 0.00 39.34 37.56 2k43 n TYR 57 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2k43 s LEU 58 N -3.62 3.29 -0.45 2.98 1.43 -1.26 -3.54 118.68 117.51 2k43 s LEU 58 Ca 0.37 -0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 2k43 s LEU 58 Cb 0.15 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.87 2k43 s LEU 58 CO -0.04 -2.08 0.36 0.00 0.23 0.00 0.00 176.35 174.82 2k43 s ALA 59 N 7.32 3.52 -0.17 4.21 0.00 -0.74 -2.22 121.76 133.67 2k43 s ALA 59 Ca 0.54 -2.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.23 2k43 s ALA 59 Cb -0.06 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.06 2k43 s ALA 59 CO 0.04 -1.65 0.88 1.41 0.00 0.00 0.00 175.76 176.44 2k43 s MET 60 N 1.64 4.30 -0.10 0.00 1.75 -1.22 -2.02 119.30 123.64 2k43 s MET 60 Ca 0.04 1.09 0.01 0.00 -1.25 0.00 0.00 55.69 55.59 2k43 s MET 60 Cb -0.23 -3.58 -0.02 0.00 2.84 0.00 0.00 34.83 33.84 2k43 s MET 60 CO 0.07 -0.38 -0.14 0.34 -0.65 0.00 0.00 175.02 174.26 2k43 s ASP 61 N 1.17 3.95 0.00 1.11 2.15 -0.28 -4.43 116.67 120.34 2k43 s ASP 61 Ca 0.40 -0.30 0.00 0.00 0.43 0.00 0.00 52.55 53.08 2k43 s ASP 61 Cb -0.16 -1.34 0.00 0.00 -0.30 0.00 0.00 42.92 41.11 2k43 s ASP 61 CO 0.12 0.22 0.00 0.41 -0.17 0.00 0.00 175.17 175.75 2k43 n THR 62 N 3.13 0.00 0.00 1.71 -1.04 -1.26 -2.57 114.28 114.24 2k43 n THR 62 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2k43 n THR 62 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 2k43 n THR 62 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2k43 n ASP 63 N 0.25 0.00 -0.02 8.00 2.03 -1.26 -4.70 116.55 120.86 2k43 n ASP 63 Ca 0.00 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.30 2k43 n ASP 63 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -1.82 -0.54 3.67 0.27 0.00 -1.06 -4.71 105.19 101.00 2k43 n GLY 64 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 2k43 n GLY 64 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k43 s LEU 65 N -5.40 3.00 -0.01 0.99 0.05 -1.21 0.14 118.68 116.24 2k43 s LEU 65 Ca -0.04 -1.18 0.01 0.00 0.05 0.00 0.00 54.13 52.96 2k43 s LEU 65 Cb 0.01 -1.21 0.00 0.00 -2.05 0.00 0.00 46.19 42.94 2k43 s LEU 65 CO 0.06 -0.46 -0.03 -1.48 -0.55 0.00 0.00 176.35 173.90 2k43 s LEU 66 N -3.80 1.86 0.05 1.48 0.05 -1.26 -1.12 118.68 115.94 2k43 s LEU 66 Ca 0.38 -0.06 0.06 0.00 0.05 0.00 0.00 54.13 54.56 2k43 s LEU 66 Cb 0.06 -0.19 -0.02 0.00 -2.05 0.00 0.00 46.19 43.98 2k43 s LEU 66 CO 0.20 0.02 -0.18 -0.72 -0.55 0.00 0.00 176.35 175.12 2k43 s TYR 67 N 0.11 1.55 -0.23 3.48 1.13 -0.86 -4.95 117.35 117.59 2k43 s TYR 67 Ca -0.01 -0.37 -0.27 0.00 -1.41 0.00 0.00 57.07 55.02 2k43 s TYR 67 Cb -0.04 -0.92 0.11 0.00 -1.10 0.00 0.00 41.96 40.01 2k43 s TYR 67 CO -0.00 0.08 0.94 0.20 -2.51 0.00 0.00 175.55 174.25 2k43 s GLY 68 N -1.22 -0.29 0.11 5.49 0.00 -0.48 -1.79 107.32 109.15 2k43 s GLY 68 Ca 0.05 2.29 0.00 0.00 0.00 0.00 0.00 44.72 47.06 2k43 s GLY 68 CO 0.02 1.56 0.00 -1.26 0.00 0.00 0.00 173.10 173.41 2k43 n SER 69 N 1.84 -0.58 0.05 1.64 2.88 -1.23 -2.18 113.62 116.04 2k43 n SER 69 Ca -0.13 0.20 -0.22 0.00 -1.33 0.00 0.00 58.87 57.39 2k43 n SER 69 Cb 0.56 0.73 -0.15 0.00 -0.75 0.00 0.00 64.21 64.61 2k43 n SER 69 CO 0.00 0.00 0.00 0.06 -1.23 0.00 0.00 175.04 173.87 2k43 h GLN 70 N 0.00 0.34 -5.13 -1.46 3.07 -1.90 -3.23 115.11 106.81 2k43 h GLN 70 Ca 0.00 -0.58 -0.53 0.00 0.09 0.00 0.00 58.65 57.63 2k43 h GLN 70 Cb 0.00 0.22 -0.13 0.00 0.08 0.00 0.00 27.48 27.64 2k43 h GLN 70 CO 0.00 1.28 -0.55 0.99 0.09 0.00 0.00 178.83 180.63 2k43 s THR 71 N -2.52 0.88 -0.31 1.86 2.01 -1.26 -4.81 115.64 111.49 2k43 s THR 71 Ca -0.17 -2.00 -0.01 0.00 0.31 0.00 0.00 61.69 59.83 2k43 s THR 71 Cb 0.04 -2.51 0.06 0.00 0.01 0.00 0.00 72.50 70.11 2k43 s THR 71 CO 0.82 0.00 0.01 -2.16 -0.69 0.00 0.00 174.62 172.60 2k43 s PRO 72 N -3.80 2.27 0.63 4.92 0.04 -1.26 -2.77 135.00 135.04 2k43 s PRO 72 Ca 0.27 -1.39 0.01 0.00 0.04 0.00 0.00 61.00 59.93 2k43 s PRO 72 Cb 0.05 -3.17 0.12 0.00 0.04 0.00 0.00 34.50 31.54 2k43 s PRO 72 CO 0.14 -0.69 0.86 0.09 0.04 0.00 0.00 177.00 177.45 2k43 n ASN 73 N 4.56 1.27 -4.21 6.66 4.13 -1.26 -4.99 115.26 121.41 2k43 n ASN 73 Ca -0.11 -2.05 -0.41 0.00 1.68 0.00 0.00 54.58 53.70 2k43 n ASN 73 Cb 0.43 -0.55 -0.08 0.00 -1.54 0.00 0.00 39.78 38.04 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k43 s GLU 74 N -4.74 2.64 0.00 3.52 2.02 -1.26 -3.91 118.70 116.97 2k43 s GLU 74 Ca 0.58 -1.98 0.00 0.00 0.02 0.00 0.00 54.97 53.59 2k43 s GLU 74 Cb -0.03 -3.97 0.00 0.00 0.10 0.00 0.00 34.13 30.23 2k43 s GLU 74 CO 0.38 -1.21 0.00 0.39 0.02 0.00 0.00 175.26 174.85 2k43 n GLU 75 N 4.56 5.17 0.15 1.61 1.02 -1.26 -4.82 120.64 127.08 2k43 n GLU 75 Ca -0.03 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.23 2k43 n GLU 75 Cb 0.41 -0.57 0.56 0.00 -0.02 0.00 0.00 31.44 31.82 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 -4.48 4.28 0.20 0.00 1.43 -1.26 -4.32 118.68 114.52 2k43 s LEU 77 Ca -0.01 1.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.93 2k43 s LEU 77 Cb 0.07 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.68 2k43 s LEU 77 CO 0.24 -0.58 -0.03 -0.36 0.23 0.00 0.00 176.35 175.86 2k43 s PHE 78 N 2.19 1.41 0.08 0.29 0.08 -1.19 -3.90 117.98 116.95 2k43 s PHE 78 Ca 0.56 -0.90 -0.23 0.00 0.12 0.00 0.00 56.93 56.48 2k43 s PHE 78 Cb -0.24 -0.79 -0.07 0.00 -0.57 0.00 0.00 43.02 41.35 2k43 s PHE 78 CO 0.22 -0.04 0.69 -1.17 -0.10 0.00 0.00 175.22 174.82 2k43 s LEU 79 N -3.24 4.51 -0.18 -0.37 2.96 0.22 -1.95 118.68 120.63 2k43 s LEU 79 Ca 0.24 1.41 -0.14 0.00 -0.22 0.00 0.00 54.13 55.43 2k43 s LEU 79 Cb 0.05 -3.11 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 2k43 s LEU 79 CO 0.06 0.16 0.30 -0.70 -1.32 0.00 0.00 176.35 174.84 2k43 s GLU 80 N -0.68 4.22 -0.12 1.98 -6.30 -0.24 -0.73 118.70 116.84 2k43 s GLU 80 Ca 0.34 0.07 0.01 0.00 -2.50 0.00 0.00 54.97 52.89 2k43 s GLU 80 Cb -0.21 -3.46 0.02 0.00 0.00 0.00 0.00 34.13 30.48 2k43 s GLU 80 CO 0.22 0.16 -0.13 0.50 0.02 0.00 0.00 175.26 176.04 2k43 s ARG 81 N 0.71 2.00 -0.19 4.30 6.06 0.14 -4.95 118.95 127.02 2k43 s ARG 81 Ca 0.16 -0.46 -0.18 0.00 -2.50 0.00 0.00 55.73 52.75 2k43 s ARG 81 Cb -0.13 -1.82 -0.04 0.00 0.06 0.00 0.00 34.95 33.02 2k43 s ARG 81 CO 0.04 -0.16 0.48 -0.51 -2.50 0.00 0.00 175.30 172.65 2k43 s LEU 82 N 1.30 4.16 0.39 -0.88 1.43 -1.26 -0.12 118.68 123.70 2k43 s LEU 82 Ca -0.01 0.64 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2k43 s LEU 82 Cb -0.14 -2.65 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 2k43 s LEU 82 CO -0.06 -0.13 0.64 -0.70 0.23 0.00 0.00 176.35 176.33 2k43 s GLU 83 N 1.44 3.54 0.09 1.70 -6.30 -0.46 -4.96 118.70 113.74 2k43 s GLU 83 Ca 0.23 -0.06 0.23 0.00 -2.50 0.00 0.00 54.97 52.87 2k43 s GLU 83 Cb -0.15 -2.55 0.13 0.00 0.00 0.00 0.00 34.13 31.56 2k43 s GLU 83 CO 0.09 0.03 1.11 0.39 0.02 0.00 0.00 175.26 176.90 2k43 n GLU 84 N -1.79 0.33 -0.96 4.30 -0.58 -1.26 -3.62 120.64 117.06 2k43 n GLU 84 Ca -0.02 0.03 -0.20 0.00 -0.42 0.00 0.00 57.16 56.55 2k43 n GLU 84 Cb 0.55 -1.64 0.08 0.00 -0.57 0.00 0.00 31.44 29.86 2k43 n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2k43 n ASN 85 N -2.09 5.53 -3.65 1.62 5.15 -1.26 -4.86 115.26 115.70 2k43 n ASN 85 Ca 0.02 -3.22 -0.28 0.00 -0.60 0.00 0.00 54.58 50.50 2k43 n ASN 85 Cb 0.45 -0.91 0.04 0.00 -0.53 0.00 0.00 39.78 38.84 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 -0.31 -1.95 -4.14 1.20 8.25 -1.24 -5.02 115.22 112.01 2k43 n HIS 86 Ca 0.41 0.57 -0.14 0.00 -0.26 0.00 0.00 57.72 58.30 2k43 n HIS 86 Cb 0.88 -3.66 -0.11 0.00 1.12 0.00 0.00 29.99 28.23 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 -3.52 0.95 -0.13 4.41 2.02 -1.25 -4.92 117.35 114.90 2k43 s TYR 87 Ca 0.38 -0.59 -0.06 0.00 -0.37 0.00 0.00 57.07 56.43 2k43 s TYR 87 Cb -0.12 -0.54 -0.04 0.00 -0.40 0.00 0.00 41.96 40.86 2k43 s TYR 87 CO 0.84 -0.03 0.08 -0.80 -1.57 0.00 0.00 175.55 174.08 2k43 s ASN 88 N -2.10 5.86 0.16 2.29 -0.87 0.15 -1.36 114.94 119.07 2k43 s ASN 88 Ca -0.00 0.26 0.10 0.00 -1.57 0.00 0.00 52.86 51.65 2k43 s ASN 88 Cb -0.06 -1.88 -0.04 0.00 -0.02 0.00 0.00 41.25 39.25 2k43 s ASN 88 CO 0.00 0.32 -0.23 -0.89 -2.57 0.00 0.00 177.10 173.73 2k43 s THR 89 N -0.52 2.13 -0.02 1.60 2.01 0.84 -2.34 115.64 119.33 2k43 s THR 89 Ca 0.11 -1.86 0.01 0.00 0.31 0.00 0.00 61.69 60.26 2k43 s THR 89 Cb -0.12 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.45 2k43 s THR 89 CO 0.02 -0.08 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.52 2k43 s TYR 90 N -1.48 0.52 0.05 4.92 1.51 -1.26 -0.68 117.35 120.92 2k43 s TYR 90 Ca 0.16 -0.10 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 2k43 s TYR 90 Cb -0.08 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.29 2k43 s TYR 90 CO 0.07 -0.09 0.03 -1.50 -1.11 0.00 0.00 175.55 172.95 2k43 s ILE 91 N 0.47 4.29 -0.75 2.71 1.10 0.09 -1.61 121.20 127.50 2k43 s ILE 91 Ca -0.05 -0.75 -0.24 0.00 -0.51 0.00 0.00 60.65 59.10 2k43 s ILE 91 Cb -0.09 -3.01 0.06 0.00 0.15 0.00 0.00 42.46 39.58 2k43 s ILE 91 CO -0.00 0.22 1.13 -0.94 -2.11 0.00 0.00 174.94 173.24 2k43 s SER 92 N -2.06 6.25 0.00 4.50 1.04 -1.13 -0.61 113.70 121.69 2k43 s SER 92 Ca 0.25 -0.98 0.30 0.00 0.48 0.00 0.00 55.95 56.01 2k43 s SER 92 Cb -0.12 -2.48 1.53 0.00 0.10 0.00 0.00 66.02 65.05 2k43 s SER 92 CO 0.17 -1.54 2.05 0.29 0.98 0.00 0.00 173.24 175.19 2k43 n LYS 93 N 8.25 0.52 0.05 4.02 4.76 -1.25 -0.87 118.16 133.64 2k43 n LYS 93 Ca 0.05 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.44 2k43 n LYS 93 Cb 0.48 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.07 -0.13 -2.08 1.97 3.64 -1.89 -3.19 116.57 114.97 2k43 h LYS 94 Ca 0.00 0.01 -0.77 0.00 -1.27 0.00 0.00 60.65 58.62 2k43 h LYS 94 Cb 0.27 0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 31.85 2k43 h LYS 94 CO 0.00 -0.09 1.06 0.72 -2.27 0.00 0.00 179.45 178.87 2k43 n HIS 95 N -2.47 2.86 -0.35 1.91 8.25 -1.24 -4.77 115.22 119.40 2k43 n HIS 95 Ca -0.02 -2.38 0.34 0.00 -0.26 0.00 0.00 57.72 55.41 2k43 n HIS 95 Cb 0.05 -1.21 0.71 0.00 1.12 0.00 0.00 29.99 30.66 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 3.35 3.01 -0.15 -1.41 0.00 -0.99 0.30 119.26 123.36 2k43 h ALA 96 Ca 0.56 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.49 2k43 h ALA 96 Cb 0.13 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k43 h ALA 96 CO 1.35 -1.38 0.25 1.05 0.00 0.00 0.00 179.25 180.51 2k43 h GLU 97 N 0.07 0.00 -0.01 0.00 4.11 -1.86 -1.24 114.58 115.66 2k43 h GLU 97 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 2k43 h GLU 97 Cb 2.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.50 2k43 h GLU 97 CO -0.07 0.00 -0.37 1.17 0.07 0.00 0.00 179.01 179.80 2k43 n LYS 98 N -3.47 0.71 -1.10 1.06 3.00 0.10 -4.94 118.16 113.53 2k43 n LYS 98 Ca 0.01 -0.47 -0.04 0.00 -0.00 0.00 0.00 58.31 57.82 2k43 n LYS 98 Cb 0.35 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 33.88 2k43 n LYS 98 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2k43 n ASN 99 N -0.74 -3.48 -4.78 3.14 4.13 -0.47 -4.97 115.26 108.10 2k43 n ASN 99 Ca 0.10 0.09 -0.36 0.00 1.68 0.00 0.00 54.58 56.09 2k43 n ASN 99 Cb 0.36 -1.29 -0.03 0.00 -1.54 0.00 0.00 39.78 37.28 2k43 n ASN 99 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2k43 s TRP 100 N -2.12 3.07 -0.31 3.10 0.51 -1.26 -5.00 118.94 116.94 2k43 s TRP 100 Ca 0.00 1.59 -0.11 0.00 -2.12 0.00 0.00 56.10 55.46 2k43 s TRP 100 Cb 0.00 -3.21 -0.03 0.00 -0.81 0.00 0.00 33.47 29.42 2k43 s TRP 100 CO 0.00 -0.99 0.19 -0.06 -0.51 0.00 0.00 176.95 175.58 2k43 s PHE 101 N -1.67 3.20 -0.27 -1.98 0.40 -1.26 -2.86 117.98 113.55 2k43 s PHE 101 Ca 0.62 -0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 2k43 s PHE 101 Cb -0.23 -2.40 0.00 0.00 0.51 0.00 0.00 43.02 40.90 2k43 s PHE 101 CO 0.29 -0.32 0.03 0.14 0.70 0.00 0.00 175.22 176.07 2k43 s VAL 102 N 1.70 3.72 0.07 -0.44 -7.23 -0.64 -3.31 120.40 114.28 2k43 s VAL 102 Ca 0.06 -0.65 0.03 0.00 -1.81 0.00 0.00 61.98 59.62 2k43 s VAL 102 Cb -0.17 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 2k43 s VAL 102 CO 0.09 0.19 -0.10 -0.83 -0.31 0.00 0.00 175.10 174.14 2k43 s GLY 103 N 1.48 0.72 0.09 2.32 0.00 -1.26 -4.33 107.32 106.34 2k43 s GLY 103 Ca 0.03 -0.98 0.08 0.00 0.00 0.00 0.00 44.72 43.86 2k43 s GLY 103 CO 0.00 -1.03 -0.19 0.48 0.00 0.00 0.00 173.10 172.37 2k43 s LEU 104 N -1.92 2.61 -0.54 0.66 2.34 -0.47 -4.05 118.68 117.31 2k43 s LEU 104 Ca -0.02 -0.52 -0.18 0.00 0.06 0.00 0.00 54.13 53.46 2k43 s LEU 104 Cb -0.07 -1.50 0.09 0.00 -0.56 0.00 0.00 46.19 44.14 2k43 s LEU 104 CO 0.01 0.21 0.60 -0.75 -1.06 0.00 0.00 176.35 175.36 2k43 s LYS 105 N -1.83 3.06 0.25 1.48 2.47 -0.81 -4.54 119.74 119.82 2k43 s LYS 105 Ca 0.16 -1.21 0.10 0.00 -1.56 0.00 0.00 55.97 53.46 2k43 s LYS 105 Cb -0.10 -4.19 0.28 0.00 -1.46 0.00 0.00 37.83 32.35 2k43 s LYS 105 CO 0.08 -1.32 1.56 1.57 0.16 0.00 0.00 175.35 177.40 2k43 h LYS 106 N 9.02 0.00 0.00 4.03 5.09 -1.78 1.07 116.57 134.00 2k43 h LYS 106 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.45 2k43 h LYS 106 Cb 1.09 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.42 2k43 h LYS 106 CO 1.01 0.67 0.00 -1.71 -2.09 0.00 0.00 179.45 177.33 2k43 n ASN 107 N -3.73 0.00 0.00 7.07 5.15 -1.26 -1.88 115.26 120.61 2k43 n ASN 107 Ca -0.01 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.32 2k43 n ASN 107 Cb 0.66 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k43 n GLY 108 N 0.30 0.49 3.75 8.20 0.00 -0.58 -4.89 105.19 112.47 2k43 n GLY 108 Ca 0.06 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.31 -0.40 1.61 1.04 0.36 -1.62 113.70 115.38 2k43 s SER 109 Ca 0.00 -0.45 -0.27 0.00 0.48 0.00 0.00 55.95 55.70 2k43 s SER 109 Cb 0.00 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.81 2k43 s SER 109 CO 0.00 -1.21 1.02 0.00 0.98 0.00 0.00 173.24 174.03 2k43 s LYS 111 N 3.81 2.24 0.07 0.00 1.02 -1.26 -4.77 119.74 120.84 2k43 s LYS 111 Ca 0.42 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2k43 s LYS 111 Cb -0.10 -2.79 -0.00 0.00 -0.52 0.00 0.00 37.83 34.41 2k43 s LYS 111 CO 0.22 -0.52 0.01 0.54 -0.92 0.00 0.00 175.35 174.68 2k43 n ARG 112 N 4.49 1.41 0.33 1.68 5.12 -1.26 -4.28 116.66 124.16 2k43 n ARG 112 Ca -0.15 -0.54 0.14 0.00 -1.93 0.00 0.00 57.85 55.37 2k43 n ARG 112 Cb 0.43 0.21 0.74 0.00 -1.16 0.00 0.00 32.46 32.68 2k43 n ARG 112 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2k43 h GLY 113 N 0.21 0.00 0.69 -0.13 0.00 0.90 0.70 103.07 105.44 2k43 h GLY 113 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.28 2k43 h GLY 113 CO 0.09 0.00 0.65 -2.55 0.00 0.00 0.00 176.54 174.73 2k43 h PRO 114 N 0.00 0.00 0.00 4.80 0.11 -1.94 -2.60 132.00 132.37 2k43 h PRO 114 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2k43 h PRO 114 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2k43 h PRO 114 CO 0.00 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.33 2k43 n ARG 115 N -2.74 0.15 -3.61 1.05 5.12 0.24 -5.07 116.66 111.79 2k43 n ARG 115 Ca -0.00 -0.21 -0.23 0.00 -1.93 0.00 0.00 57.85 55.48 2k43 n ARG 115 Cb 0.68 -0.67 -0.01 0.00 -1.16 0.00 0.00 32.46 31.30 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 -0.08 2.25 -0.34 0.55 -4.23 -0.98 -3.99 115.64 108.81 2k43 s THR 116 Ca 0.00 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2k43 s THR 116 Cb 0.00 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.24 2k43 s THR 116 CO 0.00 0.00 0.00 1.57 -0.54 0.00 0.00 174.62 175.65 2k43 n HIS 117 N -1.71 0.00 -2.58 3.99 -0.00 -1.21 -4.70 115.22 109.01 2k43 n HIS 117 Ca 0.03 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.32 2k43 n HIS 117 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.62 2k43 n HIS 117 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2k43 s TYR 118 N -0.28 2.78 -0.12 1.57 5.04 -1.26 -3.86 117.35 121.22 2k43 s TYR 118 Ca 0.00 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.01 2k43 s TYR 118 Cb 0.00 -4.76 -0.08 0.00 0.35 0.00 0.00 41.96 37.48 2k43 s TYR 118 CO 0.00 -1.81 -0.11 0.41 -1.34 0.00 0.00 175.55 172.70 2k43 n GLY 119 N 5.41 -0.17 2.95 8.97 0.00 -1.26 -5.07 105.19 116.02 2k43 n GLY 119 Ca 0.49 -0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 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 0.12 0.00 1.61 -0.21 -1.25 -4.99 119.66 112.69 2k43 s GLN 120 Ca -0.16 0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.25 2k43 s GLN 120 Cb 0.04 0.05 0.11 0.00 1.00 0.00 0.00 33.01 34.22 2k43 s GLN 120 CO 0.28 -0.02 1.08 1.63 -2.12 0.00 0.00 175.29 176.13 2k43 n LYS 121 N 2.85 1.06 0.12 2.91 4.01 -1.26 -3.20 118.16 124.65 2k43 n LYS 121 Ca -0.14 -0.09 0.10 0.00 -0.51 0.00 0.00 58.31 57.67 2k43 n LYS 121 Cb 0.59 -1.04 0.48 0.00 -0.51 0.00 0.00 35.03 34.55 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k43 n ALA 122 N -0.45 1.35 1.61 7.82 0.00 -1.26 -1.25 120.51 128.34 2k43 n ALA 122 Ca 0.02 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.72 2k43 n ALA 122 Cb 0.03 -1.32 0.62 0.00 0.00 0.00 0.00 19.45 18.78 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 -2.14 0.00 -3.61 0.00 5.41 -1.19 -1.37 119.36 116.46 2k43 n ILE 123 Ca 0.01 -0.19 -0.39 0.00 1.00 0.00 0.00 62.75 63.18 2k43 n ILE 123 Cb 0.13 0.26 -0.07 0.00 -0.71 0.00 0.00 39.64 39.24 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2k43 s LEU 124 N -2.02 5.66 0.24 1.39 1.43 -0.38 -4.39 118.68 120.62 2k43 s LEU 124 Ca 0.40 -3.05 0.09 0.00 -1.03 0.00 0.00 54.13 50.54 2k43 s LEU 124 Cb 0.21 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2k43 s LEU 124 CO 0.35 -0.36 -0.15 0.72 0.23 0.00 0.00 176.35 177.13 2k43 s PHE 125 N -0.36 1.93 -0.02 0.29 -0.71 -0.99 -2.81 117.98 115.31 2k43 s PHE 125 Ca 0.20 -0.51 0.02 0.00 -1.04 0.00 0.00 56.93 55.60 2k43 s PHE 125 Cb -0.15 -0.90 0.00 0.00 -1.21 0.00 0.00 43.02 40.77 2k43 s PHE 125 CO -0.07 0.47 -0.07 -1.17 -1.34 0.00 0.00 175.22 173.04 2k43 s LEU 126 N -3.39 1.83 -0.37 -1.99 1.98 -0.66 0.35 118.68 116.42 2k43 s LEU 126 Ca 0.26 -0.14 -0.13 0.00 -2.89 0.00 0.00 54.13 51.23 2k43 s LEU 126 Cb -0.02 -0.42 0.01 0.00 0.66 0.00 0.00 46.19 46.43 2k43 s LEU 126 CO 0.10 0.05 0.24 -2.16 -1.89 0.00 0.00 176.35 172.70 2k43 s PRO 127 N 0.13 3.07 -0.23 0.98 0.04 -1.26 -2.95 135.00 134.78 2k43 s PRO 127 Ca -0.01 -0.93 -0.08 0.00 0.04 0.00 0.00 61.00 60.02 2k43 s PRO 127 Cb -0.06 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.62 2k43 s PRO 127 CO -0.00 -0.64 0.08 -0.51 0.04 0.00 0.00 177.00 175.97 2k43 s LEU 128 N 1.64 3.62 0.30 -3.56 1.43 -0.97 -4.84 118.68 116.30 2k43 s LEU 128 Ca 0.04 -0.08 -0.19 0.00 -1.03 0.00 0.00 54.13 52.87 2k43 s LEU 128 Cb -0.18 -1.95 -0.09 0.00 0.03 0.00 0.00 46.19 43.99 2k43 s LEU 128 CO 0.09 0.04 0.79 -2.16 0.23 0.00 0.00 176.35 175.34 2k43 s PRO 129 N 1.15 4.19 0.28 1.29 0.04 -1.26 0.74 135.00 141.43 2k43 s PRO 129 Ca 0.05 0.89 -0.25 0.00 0.04 0.00 0.00 61.00 61.72 2k43 s PRO 129 Cb -0.14 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 31.71 2k43 s PRO 129 CO 0.03 0.23 0.88 0.14 0.04 0.00 0.00 177.00 178.32 2k43 s VAL 130 N -1.81 4.30 -0.06 -0.36 -7.23 -1.14 -4.88 120.40 109.22 2k43 s VAL 130 Ca 0.51 1.71 -0.30 0.00 -1.81 0.00 0.00 61.98 62.09 2k43 s VAL 130 Cb -0.13 -4.01 -0.04 0.00 0.56 0.00 0.00 36.38 32.77 2k43 s VAL 130 CO 0.19 0.21 1.30 -0.44 -0.31 0.00 0.00 175.10 176.05 2k43 s SER 131 N -1.57 6.94 -0.82 4.85 0.01 -1.26 -4.11 113.70 117.75 2k43 s SER 131 Ca 0.47 1.90 0.01 0.00 1.31 0.00 0.00 55.95 59.64 2k43 s SER 131 Cb -0.19 -2.55 0.20 0.00 0.21 0.00 0.00 66.02 63.69 2k43 s SER 131 CO 0.24 -0.68 0.68 -1.54 0.41 0.00 0.00 173.24 172.34 2k43 n SER 132 N 5.68 3.76 0.00 2.44 3.41 -1.26 -5.04 113.62 122.61 2k43 n SER 132 Ca 0.13 -3.18 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 2k43 n SER 132 Cb 0.45 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2k43 n SER 132 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98