#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 0.61 0.43 -0.72 0.00 -1.23 -4.23 119.74 114.60 2k43 s LYS 2 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 55.97 56.53 2k43 s LYS 2 Cb 0.00 0.29 0.00 0.00 0.00 0.00 0.00 37.83 38.12 2k43 s LYS 2 CO 0.00 -0.10 0.00 1.63 0.00 0.00 0.00 175.35 176.88 2k43 n LYS 3 N 2.53 0.00 -3.71 1.78 4.76 -1.25 -4.82 118.16 117.45 2k43 n LYS 3 Ca -0.15 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 54.93 2k43 n LYS 3 Cb 0.57 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.70 2k43 n LYS 3 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k43 s PRO 4 N -2.00 3.64 0.39 1.97 0.04 -1.26 -4.43 135.00 133.35 2k43 s PRO 4 Ca 0.00 0.07 0.08 0.00 0.04 0.00 0.00 61.00 61.19 2k43 s PRO 4 Cb 0.00 -3.16 -0.06 0.00 0.04 0.00 0.00 34.50 31.32 2k43 s PRO 4 CO 0.00 0.71 0.08 0.15 0.04 0.00 0.00 177.00 177.98 2k43 s LYS 5 N -1.28 2.10 0.14 4.56 1.02 0.21 0.62 119.74 127.11 2k43 s LYS 5 Ca 0.22 -1.90 0.09 0.00 0.02 0.00 0.00 55.97 54.40 2k43 s LYS 5 Cb -0.14 -1.86 -0.04 0.00 -0.52 0.00 0.00 37.83 35.27 2k43 s LYS 5 CO 0.11 -0.02 -0.15 -0.48 -0.92 0.00 0.00 175.35 173.88 2k43 s LEU 6 N -3.79 2.78 -0.36 3.17 0.05 0.10 -0.12 118.68 120.51 2k43 s LEU 6 Ca 0.37 -0.58 -0.08 0.00 0.05 0.00 0.00 54.13 53.89 2k43 s LEU 6 Cb 0.04 -1.57 0.04 0.00 -2.05 0.00 0.00 46.19 42.66 2k43 s LEU 6 CO 0.20 0.15 0.16 -0.22 -0.55 0.00 0.00 176.35 176.09 2k43 s LEU 7 N -2.41 4.55 -0.32 1.48 0.20 -1.26 -2.17 118.68 118.74 2k43 s LEU 7 Ca 0.21 -1.13 0.04 0.00 0.69 0.00 0.00 54.13 53.93 2k43 s LEU 7 Cb -0.10 -1.93 0.09 0.00 -0.43 0.00 0.00 46.19 43.82 2k43 s LEU 7 CO 0.12 -0.37 0.02 -0.72 -0.29 0.00 0.00 176.35 175.11 2k43 s TYR 8 N 1.45 3.66 -0.64 5.38 1.13 -0.67 -2.20 117.35 125.47 2k43 s TYR 8 Ca 0.00 -2.87 0.05 0.00 -1.41 0.00 0.00 57.07 52.85 2k43 s TYR 8 Cb -0.20 -2.72 0.20 0.00 -1.10 0.00 0.00 41.96 38.14 2k43 s TYR 8 CO 0.04 -0.94 0.56 0.00 -2.51 0.00 0.00 175.55 172.71 2k43 s SER 10 N -1.64 0.82 -0.72 0.00 0.15 -1.23 -4.18 113.70 106.91 2k43 s SER 10 Ca 0.31 -0.74 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 2k43 s SER 10 Cb 0.04 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2k43 s SER 10 CO -0.12 -0.35 1.37 0.21 1.20 0.00 0.00 173.24 175.56 2k43 s ASN 11 N -2.19 6.02 0.00 5.45 3.84 -1.26 -4.66 114.94 122.14 2k43 s ASN 11 Ca -0.02 -0.34 0.00 0.00 0.21 0.00 0.00 52.86 52.72 2k43 s ASN 11 Cb -0.03 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.11 2k43 s ASN 11 CO -0.03 -1.92 0.00 0.61 -2.79 0.00 0.00 177.10 172.97 2k43 n GLY 12 N 5.44 2.68 2.74 1.21 0.00 -1.26 -5.12 105.19 110.88 2k43 n GLY 12 Ca 0.06 0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.67 0.25 -0.02 0.00 -1.26 -5.14 107.32 99.48 2k43 s GLY 13 Ca 0.00 0.42 0.05 0.00 0.00 0.00 0.00 44.72 45.19 2k43 s GLY 13 CO 0.00 4.11 -0.04 0.30 0.00 0.00 0.00 173.10 177.47 2k43 s HIS 14 N 1.14 1.76 -0.00 1.90 3.76 -1.26 -4.57 115.29 118.02 2k43 s HIS 14 Ca 0.23 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.39 2k43 s HIS 14 Cb 0.07 -0.99 -0.01 0.00 1.11 0.00 0.00 32.58 32.76 2k43 s HIS 14 CO -0.10 0.16 -0.07 -0.06 -0.85 0.00 0.00 174.74 173.82 2k43 s PHE 15 N -3.18 0.60 -0.29 1.40 0.08 -0.40 -4.15 117.98 112.04 2k43 s PHE 15 Ca 0.28 -0.14 -0.29 0.00 0.12 0.00 0.00 56.93 56.90 2k43 s PHE 15 Cb 0.04 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2k43 s PHE 15 CO 0.10 -0.01 1.22 -1.17 -0.10 0.00 0.00 175.22 175.25 2k43 s LEU 16 N -0.27 3.93 0.02 -0.37 0.20 -0.93 -0.05 118.68 121.20 2k43 s LEU 16 Ca 0.02 1.20 0.05 0.00 0.69 0.00 0.00 54.13 56.09 2k43 s LEU 16 Cb -0.03 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.17 2k43 s LEU 16 CO -0.00 -0.98 -0.15 -0.60 -0.29 0.00 0.00 176.35 174.33 2k43 s ARG 17 N 3.92 1.08 -0.09 1.98 3.52 0.23 -4.08 118.95 125.51 2k43 s ARG 17 Ca 0.52 -0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 55.35 2k43 s ARG 17 Cb -0.16 -1.08 -0.04 0.00 -1.56 0.00 0.00 34.95 32.11 2k43 s ARG 17 CO 0.20 0.28 0.22 0.96 -0.81 0.00 0.00 175.30 176.14 2k43 s ILE 18 N -0.63 5.37 0.07 4.11 -4.36 -1.24 -2.92 121.20 121.61 2k43 s ILE 18 Ca 0.04 0.39 0.10 0.00 -0.26 0.00 0.00 60.65 60.92 2k43 s ILE 18 Cb -0.07 -3.49 -0.03 0.00 1.25 0.00 0.00 42.46 40.12 2k43 s ILE 18 CO 0.01 0.60 -0.27 -0.76 0.24 0.00 0.00 174.94 174.76 2k43 s LEU 19 N -1.02 2.22 0.00 0.37 1.43 -1.24 -5.02 118.68 115.42 2k43 s LEU 19 Ca 0.17 -0.64 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2k43 s LEU 19 Cb -0.13 -1.26 0.15 0.00 0.03 0.00 0.00 46.19 44.97 2k43 s LEU 19 CO 0.07 0.23 0.84 -2.65 0.23 0.00 0.00 176.35 175.06 2k43 n PRO 20 N 1.49 0.73 0.00 1.29 -0.02 -1.26 -1.64 135.00 135.59 2k43 n PRO 20 Ca -0.17 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.43 2k43 n PRO 20 Cb 0.52 -1.05 0.33 0.00 -0.02 0.00 0.00 33.50 33.28 2k43 n PRO 20 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2k43 n ASP 21 N -0.55 0.70 -0.19 2.55 8.00 -1.26 -4.95 116.55 120.84 2k43 n ASP 21 Ca 0.02 -0.51 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2k43 n ASP 21 Cb 0.01 0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 2k43 n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k43 n GLY 22 N 1.42 0.61 3.12 0.44 0.00 -0.65 -5.11 105.19 105.03 2k43 n GLY 22 Ca 0.09 -0.27 -0.23 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 -1.57 1.20 -0.39 2.61 2.01 -1.22 -4.20 115.64 114.09 2k43 s THR 23 Ca 0.00 -0.64 -0.00 0.00 0.31 0.00 0.00 61.69 61.35 2k43 s THR 23 Cb 0.00 -1.01 0.11 0.00 0.01 0.00 0.00 72.50 71.61 2k43 s THR 23 CO 0.00 0.34 0.16 0.54 -0.69 0.00 0.00 174.62 174.97 2k43 s VAL 24 N -0.28 2.95 0.08 3.82 0.11 -1.11 -3.69 120.40 122.27 2k43 s VAL 24 Ca 0.04 -2.18 0.02 0.00 -2.93 0.00 0.00 61.98 56.93 2k43 s VAL 24 Cb -0.07 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.68 2k43 s VAL 24 CO -0.00 -0.67 -0.07 1.51 -3.33 0.00 0.00 175.10 172.55 2k43 s ASP 25 N 1.47 1.03 -0.13 3.54 -4.77 -1.15 -0.50 116.67 116.17 2k43 s ASP 25 Ca 0.09 -0.90 -0.11 0.00 -3.30 0.00 0.00 52.55 48.33 2k43 s ASP 25 Cb -0.21 0.09 -0.05 0.00 -1.09 0.00 0.00 42.92 41.66 2k43 s ASP 25 CO -0.05 -0.42 0.23 -0.83 0.70 0.00 0.00 175.17 174.80 2k43 s GLY 26 N -2.71 2.20 -0.06 2.12 0.00 -0.63 0.76 107.32 109.00 2k43 s GLY 26 Ca 0.07 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.16 2k43 s GLY 26 CO -0.04 0.09 0.25 -1.59 0.00 0.00 0.00 173.10 171.81 2k43 s THR 27 N -0.24 0.03 -0.48 0.90 2.01 0.92 -4.15 115.64 114.63 2k43 s THR 27 Ca 0.15 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.69 2k43 s THR 27 Cb -0.13 -0.45 0.03 0.00 0.01 0.00 0.00 72.50 71.97 2k43 s THR 27 CO 0.04 -0.14 0.77 0.00 -0.69 0.00 0.00 174.62 174.60 2k43 s ARG 28 N -0.51 3.32 -0.19 4.92 1.70 -1.26 -1.28 118.95 125.66 2k43 s ARG 28 Ca -0.06 -0.31 -0.04 0.00 -0.47 0.00 0.00 55.73 54.85 2k43 s ARG 28 Cb -0.04 -3.99 0.09 0.00 -0.57 0.00 0.00 34.95 30.44 2k43 s ARG 28 CO 0.02 -1.19 0.24 -0.51 -1.08 0.00 0.00 175.30 172.78 2k43 s ASP 29 N 2.34 1.08 0.00 -2.89 1.01 -1.26 -4.98 116.67 111.97 2k43 s ASP 29 Ca 0.26 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.49 2k43 s ASP 29 Cb -0.14 0.50 0.00 0.00 1.01 0.00 0.00 42.92 44.30 2k43 s ASP 29 CO 0.20 -0.31 0.88 -2.11 0.21 0.00 0.00 175.17 174.04 2k43 n ARG 30 N 5.33 2.22 0.01 8.23 -4.01 -1.26 -4.45 116.66 122.73 2k43 n ARG 30 Ca -0.05 -1.27 0.14 0.00 -1.04 0.00 0.00 57.85 55.62 2k43 n ARG 30 Cb 0.50 -0.94 0.55 0.00 -3.04 0.00 0.00 32.46 29.53 2k43 n ARG 30 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 2k43 n SER 31 N -0.39 0.13 -3.83 2.89 7.64 -1.26 -4.83 113.62 113.97 2k43 n SER 31 Ca 0.00 0.40 -0.22 0.00 1.01 0.00 0.00 58.87 60.06 2k43 n SER 31 Cb 0.25 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 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 -1.56 2.88 -2.28 6.43 -0.08 -1.26 -5.06 116.55 115.63 2k43 n ASP 32 Ca 0.07 -2.49 -0.31 0.00 -1.51 0.00 0.00 54.79 50.55 2k43 n ASP 32 Cb 0.35 0.22 0.05 0.00 2.34 0.00 0.00 41.12 44.07 2k43 n ASP 32 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k43 n GLN 33 N -0.91 3.10 -0.04 -0.67 6.02 -1.26 -4.59 117.38 119.03 2k43 n GLN 33 Ca -0.13 -3.74 0.04 0.00 -0.01 0.00 0.00 57.00 53.16 2k43 n GLN 33 Cb 0.44 -2.28 -0.17 0.00 1.02 0.00 0.00 30.24 29.25 2k43 n GLN 33 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2k43 n HIS 34 N -0.77 0.00 1.15 1.08 8.25 -1.26 -4.28 115.22 119.39 2k43 n HIS 34 Ca 0.53 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 58.09 2k43 n HIS 34 Cb 0.74 -0.67 0.35 0.00 1.12 0.00 0.00 29.99 31.53 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -2.43 0.24 -3.03 1.59 -5.35 -1.26 -3.65 119.36 105.48 2k43 n ILE 35 Ca -0.14 -0.38 -0.44 0.00 -0.27 0.00 0.00 62.75 61.52 2k43 n ILE 35 Cb 0.77 0.40 -0.04 0.00 -1.74 0.00 0.00 39.64 39.03 2k43 n ILE 35 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k43 s GLN 36 N -1.76 3.21 -0.12 6.28 -2.07 -1.26 -4.16 119.66 119.79 2k43 s GLN 36 Ca 0.32 -1.38 0.01 0.00 -1.82 0.00 0.00 55.36 52.49 2k43 s GLN 36 Cb 0.17 -4.39 -0.02 0.00 -1.09 0.00 0.00 33.01 27.68 2k43 s GLN 36 CO 0.26 -1.63 -0.14 -0.48 -1.32 0.00 0.00 175.29 171.98 2k43 s LEU 37 N 2.82 2.69 -0.50 2.60 2.34 0.82 -2.58 118.68 126.87 2k43 s LEU 37 Ca 0.18 -0.32 -0.21 0.00 0.06 0.00 0.00 54.13 53.85 2k43 s LEU 37 Cb -0.18 -1.59 0.04 0.00 -0.56 0.00 0.00 46.19 43.91 2k43 s LEU 37 CO 0.03 0.19 0.71 -1.58 -1.06 0.00 0.00 176.35 174.64 2k43 s GLN 38 N 0.20 3.22 -0.54 1.48 0.74 0.22 0.68 119.66 125.66 2k43 s GLN 38 Ca -0.08 -0.59 -0.13 0.00 0.05 0.00 0.00 55.36 54.60 2k43 s GLN 38 Cb -0.15 -4.05 0.13 0.00 1.10 0.00 0.00 33.01 30.04 2k43 s GLN 38 CO 0.05 -1.23 0.46 -1.17 -0.55 0.00 0.00 175.29 172.85 2k43 s LEU 39 N 3.02 6.04 0.26 3.68 1.98 -1.26 -2.46 118.68 129.94 2k43 s LEU 39 Ca 0.21 -1.92 0.08 0.00 -2.89 0.00 0.00 54.13 49.61 2k43 s LEU 39 Cb -0.16 -2.13 -0.04 0.00 0.66 0.00 0.00 46.19 44.52 2k43 s LEU 39 CO 0.16 -0.77 0.09 -0.44 -1.89 0.00 0.00 176.35 173.50 2k43 s SER 40 N 3.11 4.97 -0.41 3.68 0.01 -1.09 -4.95 113.70 119.03 2k43 s SER 40 Ca 0.05 -0.49 -0.01 0.00 1.31 0.00 0.00 55.95 56.82 2k43 s SER 40 Cb -0.27 -1.07 0.11 0.00 0.21 0.00 0.00 66.02 65.00 2k43 s SER 40 CO 0.01 -0.04 0.18 0.00 0.41 0.00 0.00 173.24 173.80 2k43 s ALA 41 N -2.25 3.12 -0.15 1.44 0.00 -1.26 -0.11 121.76 122.55 2k43 s ALA 41 Ca 0.32 -2.59 0.04 0.00 0.00 0.00 0.00 51.96 49.74 2k43 s ALA 41 Cb -0.07 -2.32 -0.23 0.00 0.00 0.00 0.00 23.12 20.50 2k43 s ALA 41 CO 0.22 -1.80 0.24 -1.91 0.00 0.00 0.00 175.76 172.52 2k43 n GLU 42 N 4.43 0.69 -4.09 0.00 2.13 -1.10 -4.90 120.64 117.80 2k43 n GLU 42 Ca -0.00 0.20 -0.24 0.00 0.66 0.00 0.00 57.16 57.78 2k43 n GLU 42 Cb 0.41 -1.65 -0.07 0.00 0.27 0.00 0.00 31.44 30.40 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 -6.42 4.53 -0.03 4.31 0.01 -1.24 -5.04 113.70 109.81 2k43 s SER 43 Ca -0.19 -0.95 -0.29 0.00 1.31 0.00 0.00 55.95 55.82 2k43 s SER 43 Cb 0.07 -0.57 -0.08 0.00 0.21 0.00 0.00 66.02 65.66 2k43 s SER 43 CO 0.75 -0.45 2.01 0.54 0.41 0.00 0.00 173.24 176.50 2k43 s VAL 44 N -2.53 3.05 0.00 3.43 0.11 -1.26 -2.20 120.40 121.00 2k43 s VAL 44 Ca 0.40 0.05 0.00 0.00 -2.93 0.00 0.00 61.98 59.51 2k43 s VAL 44 Cb 0.01 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2k43 s VAL 44 CO 0.23 -0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 2k43 n GLY 45 N 4.83 3.13 3.68 6.54 0.00 -1.26 -4.99 105.19 117.12 2k43 n GLY 45 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.38 2.60 0.04 1.61 -1.05 -0.93 -0.00 118.70 120.59 2k43 s GLU 46 Ca 0.00 -0.78 0.08 0.00 -0.15 0.00 0.00 54.97 54.12 2k43 s GLU 46 Cb 0.00 -2.57 -0.03 0.00 -0.44 0.00 0.00 34.13 31.09 2k43 s GLU 46 CO 0.00 0.56 -0.23 0.14 0.95 0.00 0.00 175.26 176.68 2k43 s VAL 47 N -1.24 2.40 -0.18 1.83 -7.23 -0.44 -2.69 120.40 112.85 2k43 s VAL 47 Ca 0.24 -1.32 -0.01 0.00 -1.81 0.00 0.00 61.98 59.08 2k43 s VAL 47 Cb -0.12 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2k43 s VAL 47 CO 0.16 0.35 -0.12 -0.47 -0.31 0.00 0.00 175.10 174.71 2k43 s TYR 48 N -0.86 2.85 -0.49 2.82 6.14 0.85 -2.87 117.35 125.79 2k43 s TYR 48 Ca 0.13 -1.13 -0.13 0.00 0.64 0.00 0.00 57.07 56.58 2k43 s TYR 48 Cb -0.10 -1.97 0.10 0.00 0.42 0.00 0.00 41.96 40.41 2k43 s TYR 48 CO 0.03 -0.57 0.40 0.42 0.64 0.00 0.00 175.55 176.48 2k43 s ILE 49 N 1.15 4.87 0.14 3.14 1.09 -1.26 -2.67 121.20 127.66 2k43 s ILE 49 Ca 0.01 -1.42 0.10 0.00 -1.10 0.00 0.00 60.65 58.24 2k43 s ILE 49 Cb -0.14 -4.05 -0.04 0.00 -1.06 0.00 0.00 42.46 37.16 2k43 s ILE 49 CO -0.04 -0.71 -0.23 -1.59 -0.10 0.00 0.00 174.94 172.26 2k43 s LYS 50 N 1.54 1.34 -0.05 2.79 -2.85 -1.03 -4.54 119.74 116.94 2k43 s LYS 50 Ca 0.04 -1.35 -0.30 0.00 -1.00 0.00 0.00 55.97 53.36 2k43 s LYS 50 Cb -0.27 -1.67 -0.02 0.00 -2.06 0.00 0.00 37.83 33.81 2k43 s LYS 50 CO 0.03 0.38 1.03 0.45 0.10 0.00 0.00 175.35 177.34 2k43 s SER 51 N -2.25 7.27 0.00 0.03 0.15 -1.17 0.71 113.70 118.44 2k43 s SER 51 Ca 0.14 1.64 0.00 0.00 0.70 0.00 0.00 55.95 58.42 2k43 s SER 51 Cb -0.09 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2k43 s SER 51 CO 0.07 -0.39 0.00 0.41 1.20 0.00 0.00 173.24 174.53 2k43 n THR 52 N 4.27 0.00 -0.10 6.45 -1.04 -1.17 -4.73 114.28 117.96 2k43 n THR 52 Ca 0.08 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.91 2k43 n THR 52 Cb 0.49 -0.24 -0.09 0.00 -1.82 0.00 0.00 70.33 68.67 2k43 n THR 52 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2k43 h GLU 53 N 0.00 0.00 -0.08 -2.82 4.39 -1.93 -3.42 114.58 110.72 2k43 h GLU 53 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2k43 h GLU 53 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k43 h GLU 53 CO 0.00 0.80 -0.03 2.41 -1.16 0.00 0.00 179.01 181.03 2k43 n THR 54 N -4.47 2.03 -0.02 1.13 -1.04 -1.26 -4.95 114.28 105.70 2k43 n THR 54 Ca -0.27 -2.24 -0.06 0.00 -2.04 0.00 0.00 64.05 59.44 2k43 n THR 54 Cb 0.59 -0.25 -0.13 0.00 -1.82 0.00 0.00 70.33 68.73 2k43 n THR 54 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k43 n GLY 55 N -1.18 -1.06 0.00 3.41 0.00 -1.06 -4.34 105.19 100.96 2k43 n GLY 55 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.94 0.00 -3.44 1.61 -0.00 -1.22 -4.10 117.38 107.29 2k43 n GLN 56 Ca -0.17 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 56.42 2k43 n GLN 56 Cb 0.99 0.00 -0.02 0.00 -0.00 0.00 0.00 30.24 31.21 2k43 n GLN 56 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2k43 n TYR 57 N -1.54 4.81 -2.36 2.61 9.36 -0.98 -3.03 117.16 126.03 2k43 n TYR 57 Ca 0.00 -3.96 -0.43 0.00 3.32 0.00 0.00 57.90 56.83 2k43 n TYR 57 Cb 0.00 -1.48 -0.02 0.00 -0.63 0.00 0.00 39.34 37.21 2k43 n TYR 57 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 2k43 s LEU 58 N -1.39 4.25 -0.26 2.98 0.20 -1.26 -2.97 118.68 120.24 2k43 s LEU 58 Ca 0.30 1.85 -0.01 0.00 0.69 0.00 0.00 54.13 56.96 2k43 s LEU 58 Cb -0.08 -3.55 0.08 0.00 -0.43 0.00 0.00 46.19 42.21 2k43 s LEU 58 CO -0.09 -0.72 0.05 0.00 -0.29 0.00 0.00 176.35 175.30 2k43 s ALA 59 N 3.01 1.39 -0.24 5.97 0.00 -0.33 -1.64 121.76 129.92 2k43 s ALA 59 Ca 0.58 -1.26 -0.27 0.00 0.00 0.00 0.00 51.96 51.02 2k43 s ALA 59 Cb -0.25 -1.43 0.00 0.00 0.00 0.00 0.00 23.12 21.44 2k43 s ALA 59 CO 0.20 -1.42 0.92 1.41 0.00 0.00 0.00 175.76 176.88 2k43 s MET 60 N 1.68 4.22 -0.75 0.00 1.75 -1.21 -2.47 119.30 122.51 2k43 s MET 60 Ca 0.04 1.13 -0.16 0.00 -1.25 0.00 0.00 55.69 55.44 2k43 s MET 60 Cb -0.17 -3.64 0.16 0.00 2.84 0.00 0.00 34.83 34.02 2k43 s MET 60 CO -0.16 -0.56 0.79 0.34 -0.65 0.00 0.00 175.02 174.77 2k43 s ASP 61 N 1.27 6.52 0.00 1.11 2.15 -0.78 -4.30 116.67 122.64 2k43 s ASP 61 Ca 0.39 -2.13 0.00 0.00 0.43 0.00 0.00 52.55 51.24 2k43 s ASP 61 Cb -0.15 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2k43 s ASP 61 CO 0.07 -0.84 0.00 0.35 -0.17 0.00 0.00 175.17 174.58 2k43 n THR 62 N 4.83 0.00 -0.48 1.71 -2.24 -1.26 -1.45 114.28 115.39 2k43 n THR 62 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 2k43 n THR 62 Cb 0.45 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.43 -0.04 3.42 2.03 -1.26 -4.80 116.55 114.47 2k43 n ASP 63 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 2k43 n ASP 63 Cb 0.00 -0.24 -0.14 0.00 -0.72 0.00 0.00 41.12 40.02 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 -2.48 -1.04 3.13 0.27 0.00 -0.53 -3.62 105.19 100.93 2k43 n GLY 64 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.75 0.60 -0.31 0.99 1.43 -1.19 0.66 118.68 115.11 2k43 s LEU 65 Ca -0.06 0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.47 2k43 s LEU 65 Cb 0.08 0.91 -0.02 0.00 0.03 0.00 0.00 46.19 47.19 2k43 s LEU 65 CO 0.83 -0.14 0.40 -0.76 0.23 0.00 0.00 176.35 176.91 2k43 s LEU 66 N 0.76 4.22 0.04 1.79 1.02 -1.06 -1.87 118.68 123.58 2k43 s LEU 66 Ca -0.05 0.06 0.06 0.00 0.02 0.00 0.00 54.13 54.23 2k43 s LEU 66 Cb -0.06 -2.43 -0.02 0.00 0.02 0.00 0.00 46.19 43.70 2k43 s LEU 66 CO -0.05 -0.29 -0.18 -0.72 0.02 0.00 0.00 176.35 175.13 2k43 s TYR 67 N 2.11 1.62 -0.28 0.29 1.13 -1.03 -4.48 117.35 116.71 2k43 s TYR 67 Ca 0.15 -0.36 -0.19 0.00 -1.41 0.00 0.00 57.07 55.25 2k43 s TYR 67 Cb -0.16 -0.96 0.12 0.00 -1.10 0.00 0.00 41.96 39.86 2k43 s TYR 67 CO 0.11 0.07 0.92 0.20 -2.51 0.00 0.00 175.55 174.34 2k43 s GLY 68 N -1.14 -0.21 0.18 5.49 0.00 -1.23 -1.19 107.32 109.21 2k43 s GLY 68 Ca 0.06 2.78 0.00 0.00 0.00 0.00 0.00 44.72 47.55 2k43 s GLY 68 CO 0.02 2.26 0.00 1.44 0.00 0.00 0.00 173.10 176.82 2k43 n SER 69 N 3.30 -0.71 -0.01 1.64 7.64 -1.16 -2.75 113.62 121.57 2k43 n SER 69 Ca -0.17 0.31 -0.21 0.00 1.01 0.00 0.00 58.87 59.82 2k43 n SER 69 Cb 0.57 0.81 -0.13 0.00 -1.01 0.00 0.00 64.21 64.45 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 0.20 -5.03 1.43 5.75 -1.84 -2.60 115.11 113.02 2k43 h GLN 70 Ca 0.00 -0.34 -0.58 0.00 -0.15 0.00 0.00 58.65 57.58 2k43 h GLN 70 Cb 0.00 0.13 -0.13 0.00 1.07 0.00 0.00 27.48 28.55 2k43 h GLN 70 CO 0.00 1.16 -0.50 0.95 -2.65 0.00 0.00 178.83 177.79 2k43 s THR 71 N -2.45 0.55 -0.33 2.39 -4.23 -1.26 -4.67 115.64 105.63 2k43 s THR 71 Ca -0.21 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.32 2k43 s THR 71 Cb 0.04 -2.28 0.09 0.00 1.34 0.00 0.00 72.50 71.69 2k43 s THR 71 CO 0.74 0.00 0.04 -2.16 -0.54 0.00 0.00 174.62 172.70 2k43 s PRO 72 N -3.68 1.82 0.53 3.99 0.04 -1.26 -2.52 135.00 133.92 2k43 s PRO 72 Ca 0.21 -1.70 0.00 0.00 0.04 0.00 0.00 61.00 59.55 2k43 s PRO 72 Cb 0.02 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.45 2k43 s PRO 72 CO 0.14 -0.86 0.73 0.27 0.04 0.00 0.00 177.00 177.32 2k43 n ASN 73 N 4.39 1.04 -4.25 6.66 6.94 -1.26 -5.01 115.26 123.78 2k43 n ASN 73 Ca -0.02 -1.87 -0.42 0.00 -0.02 0.00 0.00 54.58 52.25 2k43 n ASN 73 Cb 0.42 -0.47 -0.08 0.00 -2.36 0.00 0.00 39.78 37.29 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 2k43 s GLU 74 N -4.38 2.60 0.00 -3.83 8.01 -1.26 -3.87 118.70 115.97 2k43 s GLU 74 Ca 0.49 -1.67 0.00 0.00 0.01 0.00 0.00 54.97 53.80 2k43 s GLU 74 Cb -0.03 -3.96 0.00 0.00 -4.31 0.00 0.00 34.13 25.83 2k43 s GLU 74 CO 0.32 -1.15 0.00 0.39 0.01 0.00 0.00 175.26 174.83 2k43 n GLU 75 N 4.97 3.38 0.00 1.61 -0.58 -1.26 -4.83 120.64 123.93 2k43 n GLU 75 Ca -0.09 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.75 2k43 n GLU 75 Cb 0.41 -0.72 0.52 0.00 -0.57 0.00 0.00 31.44 31.09 2k43 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k43 s LEU 77 N -2.56 4.31 0.23 0.00 1.43 -1.26 -4.34 118.68 116.49 2k43 s LEU 77 Ca 0.20 2.17 0.08 0.00 -1.03 0.00 0.00 54.13 55.55 2k43 s LEU 77 Cb 0.14 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.77 2k43 s LEU 77 CO 0.31 -0.86 -0.13 -0.36 0.23 0.00 0.00 176.35 175.55 2k43 s PHE 78 N 3.51 1.84 -0.13 0.29 0.08 -1.14 -3.58 117.98 118.85 2k43 s PHE 78 Ca 0.69 -0.58 -0.05 0.00 0.12 0.00 0.00 56.93 57.12 2k43 s PHE 78 Cb -0.32 -0.90 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 2k43 s PHE 78 CO 0.27 0.38 0.03 -1.17 -0.10 0.00 0.00 175.22 174.64 2k43 s LEU 79 N -3.37 3.71 -0.37 -0.37 0.20 0.52 -1.32 118.68 117.67 2k43 s LEU 79 Ca 0.25 0.12 -0.17 0.00 0.69 0.00 0.00 54.13 55.02 2k43 s LEU 79 Cb 0.00 -1.89 0.00 0.00 -0.43 0.00 0.00 46.19 43.87 2k43 s LEU 79 CO 0.09 0.28 0.44 -0.70 -0.29 0.00 0.00 176.35 176.17 2k43 s GLU 80 N -0.28 3.43 -0.28 1.98 2.12 1.00 -1.45 118.70 125.22 2k43 s GLU 80 Ca 0.07 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.96 2k43 s GLU 80 Cb -0.12 -3.86 0.09 0.00 0.26 0.00 0.00 34.13 30.50 2k43 s GLU 80 CO 0.02 -0.68 0.07 0.50 -0.54 0.00 0.00 175.26 174.63 2k43 s ARG 81 N 2.20 0.83 -0.54 4.30 3.52 -0.32 -4.89 118.95 124.05 2k43 s ARG 81 Ca 0.14 -1.00 -0.19 0.00 -0.13 0.00 0.00 55.73 54.55 2k43 s ARG 81 Cb -0.16 -2.13 0.07 0.00 -1.56 0.00 0.00 34.95 31.17 2k43 s ARG 81 CO 0.13 -0.89 0.68 -0.48 -0.81 0.00 0.00 175.30 173.93 2k43 s LEU 82 N 1.60 5.03 -0.36 -0.88 0.05 -1.26 -0.69 118.68 122.17 2k43 s LEU 82 Ca 0.06 -1.06 0.04 0.00 0.05 0.00 0.00 54.13 53.22 2k43 s LEU 82 Cb -0.17 -2.42 0.10 0.00 -2.05 0.00 0.00 46.19 41.65 2k43 s LEU 82 CO -0.20 -1.00 0.08 -1.83 -0.55 0.00 0.00 176.35 172.85 2k43 s GLU 83 N 2.77 1.57 0.00 1.48 -1.05 0.33 -4.46 118.70 119.34 2k43 s GLU 83 Ca 0.15 -1.96 0.00 0.00 -0.15 0.00 0.00 54.97 53.01 2k43 s GLU 83 Cb -0.20 -3.24 0.00 0.00 -0.44 0.00 0.00 34.13 30.24 2k43 s GLU 83 CO 0.10 -0.97 0.67 0.39 0.95 0.00 0.00 175.26 176.41 2k43 n GLU 84 N 4.14 0.00 -1.51 -4.83 -0.58 -1.11 -4.65 120.64 112.10 2k43 n GLU 84 Ca 0.04 -0.42 -0.13 0.00 -0.42 0.00 0.00 57.16 56.23 2k43 n GLU 84 Cb 0.41 -0.22 -0.05 0.00 -0.57 0.00 0.00 31.44 31.01 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2k43 n ASN 85 N 0.00 -3.49 0.00 1.62 3.02 -1.26 -4.31 115.26 110.85 2k43 n ASN 85 Ca 0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 2k43 n ASN 85 Cb 0.58 -3.23 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 2k43 n ASN 85 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2k43 n HIS 86 N -2.06 0.00 -3.75 3.10 -0.00 -1.26 -5.15 115.22 106.10 2k43 n HIS 86 Ca -0.13 0.00 -0.32 0.00 0.46 0.00 0.00 57.72 57.72 2k43 n HIS 86 Cb 0.45 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.27 2k43 n HIS 86 CO 0.00 0.00 0.00 0.71 0.46 0.00 0.00 176.34 177.51 2k43 s TYR 87 N -0.89 3.52 0.01 1.57 1.51 -1.26 -4.97 117.35 116.83 2k43 s TYR 87 Ca 0.00 0.50 -0.12 0.00 -1.01 0.00 0.00 57.07 56.44 2k43 s TYR 87 Cb 0.00 -1.95 -0.05 0.00 -0.11 0.00 0.00 41.96 39.85 2k43 s TYR 87 CO 0.00 0.52 0.37 -0.80 -1.11 0.00 0.00 175.55 174.53 2k43 s ASN 88 N -2.23 6.69 0.16 2.29 0.01 -0.79 -0.51 114.94 120.55 2k43 s ASN 88 Ca 0.36 0.83 0.08 0.00 -0.71 0.00 0.00 52.86 53.42 2k43 s ASN 88 Cb -0.13 -2.20 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2k43 s ASN 88 CO 0.23 0.28 -0.17 -0.89 -1.51 0.00 0.00 177.10 175.04 2k43 s THR 89 N -1.19 1.70 -0.02 1.60 2.01 0.13 -0.95 115.64 118.92 2k43 s THR 89 Ca 0.26 -1.91 -0.00 0.00 0.31 0.00 0.00 61.69 60.35 2k43 s THR 89 Cb -0.15 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.59 2k43 s THR 89 CO 0.14 -0.37 0.03 -0.31 -0.69 0.00 0.00 174.62 173.42 2k43 s TYR 90 N -2.18 0.02 0.11 4.92 2.02 -1.26 -1.17 117.35 119.81 2k43 s TYR 90 Ca 0.15 0.12 0.04 0.00 -0.37 0.00 0.00 57.07 57.01 2k43 s TYR 90 Cb -0.05 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2k43 s TYR 90 CO 0.06 -0.08 0.10 -1.50 -1.57 0.00 0.00 175.55 172.56 2k43 s ILE 91 N 0.92 4.54 -0.38 2.71 2.07 -0.53 -0.87 121.20 129.67 2k43 s ILE 91 Ca -0.08 -0.86 -0.23 0.00 -1.41 0.00 0.00 60.65 58.08 2k43 s ILE 91 Cb -0.11 -3.23 0.01 0.00 0.13 0.00 0.00 42.46 39.26 2k43 s ILE 91 CO -0.03 0.05 0.76 -0.94 -1.91 0.00 0.00 174.94 172.87 2k43 s SER 92 N -2.63 6.51 0.00 4.50 1.04 -0.84 -0.35 113.70 121.93 2k43 s SER 92 Ca 0.30 0.26 0.20 0.00 0.48 0.00 0.00 55.95 57.18 2k43 s SER 92 Cb -0.11 -2.38 1.18 0.00 0.10 0.00 0.00 66.02 64.80 2k43 s SER 92 CO 0.23 -0.74 1.66 2.29 0.98 0.00 0.00 173.24 177.66 2k43 n LYS 93 N 6.40 0.85 0.00 4.02 2.85 -1.24 0.16 118.16 131.21 2k43 n LYS 93 Ca 0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.28 2k43 n LYS 93 Cb 0.48 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.50 2k43 n LYS 93 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2k43 n LYS 94 N -0.86 0.00 -1.32 -1.58 3.00 -1.26 -3.29 118.16 112.84 2k43 n LYS 94 Ca 0.15 0.46 -0.28 0.00 -0.00 0.00 0.00 58.31 58.64 2k43 n LYS 94 Cb 0.07 -1.44 0.02 0.00 0.00 0.00 0.00 35.03 33.68 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 -1.87 2.22 -0.34 5.64 8.25 -1.06 -4.64 115.22 123.43 2k43 n HIS 95 Ca 0.00 -2.30 0.02 0.00 -0.26 0.00 0.00 57.72 55.18 2k43 n HIS 95 Cb 0.00 -1.23 0.16 0.00 1.12 0.00 0.00 29.99 30.04 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 2.25 1.29 -0.48 -1.41 0.00 -0.27 -1.51 119.26 119.12 2k43 h ALA 96 Ca 0.44 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.40 2k43 h ALA 96 Cb 0.69 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2k43 h ALA 96 CO 1.12 0.34 0.32 1.49 0.00 0.00 0.00 179.25 182.52 2k43 h GLU 97 N 1.06 0.40 -0.02 0.00 4.57 -1.84 -0.86 114.58 117.88 2k43 h GLU 97 Ca 0.41 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.56 2k43 h GLU 97 Cb 0.19 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2k43 h GLU 97 CO -0.18 0.26 -0.27 1.63 -1.18 0.00 0.00 179.01 179.27 2k43 n LYS 98 N -4.47 1.41 -1.08 1.92 4.76 -0.64 -4.95 118.16 115.10 2k43 n LYS 98 Ca 0.06 -1.07 -0.03 0.00 -2.87 0.00 0.00 58.31 54.40 2k43 n LYS 98 Cb 0.25 -1.48 -0.01 0.00 -1.84 0.00 0.00 35.03 31.95 2k43 n LYS 98 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2k43 n ASN 99 N 0.14 -3.37 -4.79 4.39 4.05 -0.33 -4.99 115.26 110.35 2k43 n ASN 99 Ca 0.12 0.07 -0.36 0.00 0.45 0.00 0.00 54.58 54.87 2k43 n ASN 99 Cb 0.46 -1.13 -0.05 0.00 1.23 0.00 0.00 39.78 40.29 2k43 n ASN 99 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 177.26 175.07 2k43 s TRP 100 N -2.10 3.33 0.04 1.20 -0.00 -1.08 -4.95 118.94 115.37 2k43 s TRP 100 Ca 0.00 1.66 -0.00 0.00 -0.00 0.00 0.00 56.10 57.76 2k43 s TRP 100 Cb 0.00 -3.02 -0.04 0.00 -0.00 0.00 0.00 33.47 30.41 2k43 s TRP 100 CO 0.00 -0.38 0.15 -0.06 -0.00 0.00 0.00 176.95 176.67 2k43 s PHE 101 N -1.80 3.42 -0.32 5.86 0.40 -1.26 -1.98 117.98 122.29 2k43 s PHE 101 Ca 0.58 0.23 -0.23 0.00 -0.60 0.00 0.00 56.93 56.92 2k43 s PHE 101 Cb -0.18 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.61 2k43 s PHE 101 CO 0.23 0.58 0.77 0.08 0.70 0.00 0.00 175.22 177.58 2k43 s VAL 102 N -1.39 4.79 -0.00 -0.44 1.01 -0.05 -4.64 120.40 119.69 2k43 s VAL 102 Ca 0.30 1.04 0.02 0.00 0.00 0.00 0.00 61.98 63.34 2k43 s VAL 102 Cb -0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.10 2k43 s VAL 102 CO 0.22 -0.30 -0.07 -0.83 0.00 0.00 0.00 175.10 174.12 2k43 s GLY 103 N 1.69 0.36 0.10 4.51 0.00 -1.25 -4.52 107.32 108.22 2k43 s GLY 103 Ca 0.31 -0.34 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2k43 s GLY 103 CO 0.14 -0.30 -0.08 0.48 0.00 0.00 0.00 173.10 173.34 2k43 s LEU 104 N -0.28 2.48 -0.37 0.66 0.05 -1.21 -0.72 118.68 119.30 2k43 s LEU 104 Ca 0.02 -0.94 0.00 0.00 0.05 0.00 0.00 54.13 53.26 2k43 s LEU 104 Cb -0.03 -0.18 0.10 0.00 -2.05 0.00 0.00 46.19 44.03 2k43 s LEU 104 CO -0.00 -0.38 0.12 -0.75 -0.55 0.00 0.00 176.35 174.78 2k43 s LYS 105 N -3.48 1.85 0.35 1.48 2.20 -1.07 -4.52 119.74 116.56 2k43 s LYS 105 Ca 0.10 -1.78 0.26 0.00 -0.36 0.00 0.00 55.97 54.20 2k43 s LYS 105 Cb 0.02 -3.38 0.78 0.00 -1.51 0.00 0.00 37.83 33.74 2k43 s LYS 105 CO -0.02 -0.96 1.75 1.57 -0.36 0.00 0.00 175.35 177.32 2k43 h LYS 106 N 7.87 0.00 0.00 4.03 -0.00 -1.77 1.35 116.57 128.04 2k43 h LYS 106 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.55 2k43 h LYS 106 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.27 2k43 h LYS 106 CO 0.61 0.00 0.00 0.09 -0.00 0.00 0.00 179.45 180.15 2k43 n ASN 107 N -2.68 0.35 0.00 7.07 4.13 -1.26 -2.15 115.26 120.73 2k43 n ASN 107 Ca 0.04 0.58 0.00 0.00 1.68 0.00 0.00 54.58 56.88 2k43 n ASN 107 Cb 0.41 -0.66 0.00 0.00 -1.54 0.00 0.00 39.78 37.99 2k43 n ASN 107 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2k43 n GLY 108 N 0.13 0.46 3.46 7.41 0.00 -0.12 -4.88 105.19 111.65 2k43 n GLY 108 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.56 -0.58 1.61 1.04 0.44 -1.60 113.70 115.05 2k43 s SER 109 Ca 0.00 0.57 -0.20 0.00 0.48 0.00 0.00 55.95 56.80 2k43 s SER 109 Cb 0.00 0.50 0.08 0.00 0.10 0.00 0.00 66.02 66.69 2k43 s SER 109 CO 0.00 -0.59 0.76 0.00 0.98 0.00 0.00 173.24 174.39 2k43 s LYS 111 N 3.09 0.17 -0.33 0.00 0.00 -1.25 -2.56 119.74 118.86 2k43 s LYS 111 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 55.97 55.99 2k43 s LYS 111 Cb -0.20 -1.30 0.13 0.00 0.00 0.00 0.00 37.83 36.46 2k43 s LYS 111 CO 0.10 -0.82 0.24 1.03 0.00 0.00 0.00 175.35 175.90 2k43 s ARG 112 N 2.21 0.44 -0.17 1.78 1.81 0.10 -4.64 118.95 120.48 2k43 s ARG 112 Ca 0.06 -0.83 -0.16 0.00 -1.72 0.00 0.00 55.73 53.09 2k43 s ARG 112 Cb -0.16 -1.03 -0.06 0.00 -0.45 0.00 0.00 34.95 33.26 2k43 s ARG 112 CO -0.21 -1.13 -0.31 0.41 -0.68 0.00 0.00 175.30 173.38 2k43 n GLY 113 N 4.60 -0.64 0.33 -3.53 0.00 0.21 -3.97 105.19 102.20 2k43 n GLY 113 Ca 0.05 -0.28 0.18 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.00 0.00 0.00 1.61 0.11 -1.89 -2.14 132.00 128.69 2k43 h PRO 114 Ca -0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.08 2k43 h PRO 114 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k43 h PRO 114 CO -0.02 0.00 -0.74 0.54 -0.21 0.00 0.00 178.00 177.57 2k43 n ARG 115 N -3.46 1.89 -2.28 1.05 3.00 -1.26 -4.88 116.66 110.73 2k43 n ARG 115 Ca -0.01 -0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.41 2k43 n ARG 115 Cb 0.20 -1.23 -0.03 0.00 0.00 0.00 0.00 32.46 31.41 2k43 n ARG 115 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k43 s THR 116 N -2.46 3.67 -5.00 0.55 -4.23 -0.81 -3.60 115.64 103.77 2k43 s THR 116 Ca 0.06 0.57 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2k43 s THR 116 Cb 0.12 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.71 2k43 s THR 116 CO 0.63 -1.02 0.00 1.57 -0.54 0.00 0.00 174.62 175.27 2k43 n HIS 117 N 10.19 0.00 -2.74 3.99 -0.00 -1.26 -4.35 115.22 121.05 2k43 n HIS 117 Ca 0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.44 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 -0.47 -0.00 0.00 0.00 176.34 175.87 2k43 s TYR 118 N -1.92 3.06 -0.16 1.57 5.04 -1.26 -3.90 117.35 119.78 2k43 s TYR 118 Ca 0.00 -1.74 -0.03 0.00 -2.44 0.00 0.00 57.07 52.86 2k43 s TYR 118 Cb 0.00 -4.55 -0.09 0.00 0.35 0.00 0.00 41.96 37.67 2k43 s TYR 118 CO 0.00 -1.64 -0.17 0.41 -1.34 0.00 0.00 175.55 172.81 2k43 n GLY 119 N 5.05 -0.24 2.95 8.97 0.00 -1.24 -5.06 105.19 115.63 2k43 n GLY 119 Ca 0.41 -0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.31 0.12 -0.22 1.61 -0.21 -1.25 -5.01 119.66 112.40 2k43 s GLN 120 Ca -0.22 0.00 0.01 0.00 0.02 0.00 0.00 55.36 55.17 2k43 s GLN 120 Cb 0.07 0.05 0.27 0.00 1.00 0.00 0.00 33.01 34.40 2k43 s GLN 120 CO 0.33 -0.02 1.55 1.17 -2.12 0.00 0.00 175.29 176.20 2k43 n LYS 121 N 2.82 1.59 0.00 2.91 3.00 -1.26 -3.23 118.16 123.98 2k43 n LYS 121 Ca -0.14 -1.33 0.15 0.00 -0.00 0.00 0.00 58.31 57.00 2k43 n LYS 121 Cb 0.59 -1.52 0.84 0.00 0.00 0.00 0.00 35.03 34.94 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k43 n ALA 122 N -0.05 2.59 0.19 3.14 0.00 -1.26 -2.09 120.51 123.03 2k43 n ALA 122 Ca 0.26 -0.18 0.05 0.00 0.00 0.00 0.00 53.44 53.58 2k43 n ALA 122 Cb 0.90 -1.50 0.22 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.12 1.21 -3.13 0.00 5.41 -1.20 -3.29 119.36 117.23 2k43 n ILE 123 Ca 0.19 -0.72 -0.45 0.00 1.00 0.00 0.00 62.75 62.77 2k43 n ILE 123 Cb 0.18 -0.12 -0.04 0.00 -0.71 0.00 0.00 39.64 38.94 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 176.55 176.33 2k43 s LEU 124 N -1.36 5.50 -0.14 1.39 2.96 -0.89 -4.57 118.68 121.57 2k43 s LEU 124 Ca 0.30 -1.52 -0.13 0.00 -0.22 0.00 0.00 54.13 52.56 2k43 s LEU 124 Cb 0.21 -2.29 -0.05 0.00 0.50 0.00 0.00 46.19 44.55 2k43 s LEU 124 CO 0.13 -1.08 0.27 -0.36 -1.32 0.00 0.00 176.35 174.00 2k43 s PHE 125 N 2.52 3.50 -0.18 5.38 0.40 -0.12 -3.48 117.98 125.99 2k43 s PHE 125 Ca 0.11 0.61 -0.00 0.00 -0.60 0.00 0.00 56.93 57.05 2k43 s PHE 125 Cb -0.24 -2.27 0.04 0.00 0.51 0.00 0.00 43.02 41.06 2k43 s PHE 125 CO 0.05 0.35 -0.06 -0.51 0.70 0.00 0.00 175.22 175.75 2k43 s LEU 126 N 0.11 1.84 -0.39 -0.37 1.43 -0.87 -1.89 118.68 118.54 2k43 s LEU 126 Ca 0.16 -0.77 -0.09 0.00 -1.03 0.00 0.00 54.13 52.40 2k43 s LEU 126 Cb -0.13 -1.00 0.06 0.00 0.03 0.00 0.00 46.19 45.15 2k43 s LEU 126 CO 0.04 -0.18 0.22 -2.16 0.23 0.00 0.00 176.35 174.50 2k43 s PRO 127 N 1.56 2.65 -0.18 1.29 0.04 -1.26 -1.67 135.00 137.43 2k43 s PRO 127 Ca -0.00 -1.32 -0.08 0.00 0.04 0.00 0.00 61.00 59.64 2k43 s PRO 127 Cb -0.16 -3.71 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2k43 s PRO 127 CO -0.08 -0.84 0.08 -0.51 0.04 0.00 0.00 177.00 175.69 2k43 s LEU 128 N 1.45 3.92 0.33 -3.56 1.43 -0.92 -4.85 118.68 116.47 2k43 s LEU 128 Ca 0.02 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.11 2k43 s LEU 128 Cb -0.21 -1.99 -0.09 0.00 0.03 0.00 0.00 46.19 43.93 2k43 s LEU 128 CO 0.03 0.20 0.74 -2.16 0.23 0.00 0.00 176.35 175.40 2k43 s PRO 129 N 0.19 4.01 0.15 1.29 0.04 -1.26 0.03 135.00 139.45 2k43 s PRO 129 Ca 0.05 0.68 -0.13 0.00 0.04 0.00 0.00 61.00 61.64 2k43 s PRO 129 Cb -0.12 -2.42 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 2k43 s PRO 129 CO 0.00 0.15 0.54 0.08 0.04 0.00 0.00 177.00 177.81 2k43 s VAL 130 N -1.99 4.88 -0.06 -0.36 1.01 0.20 -4.87 120.40 119.21 2k43 s VAL 130 Ca 0.54 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.98 2k43 s VAL 130 Cb -0.10 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 2k43 s VAL 130 CO 0.17 0.20 1.04 -0.94 0.00 0.00 0.00 175.10 175.58 2k43 s SER 131 N -1.81 7.24 -1.20 3.32 1.04 -1.26 -3.53 113.70 117.49 2k43 s SER 131 Ca 0.39 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 2k43 s SER 131 Cb -0.14 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.61 2k43 s SER 131 CO 0.19 -0.42 1.49 -0.24 0.98 0.00 0.00 173.24 175.24 2k43 n SER 132 N 4.70 5.32 0.00 7.02 2.88 -1.26 -4.97 113.62 127.30 2k43 n SER 132 Ca 0.08 -3.04 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 2k43 n SER 132 Cb 0.49 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 2k43 n SER 132 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14