#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 4.36 0.14 2.98 0.00 -0.98 -4.13 119.74 122.11 2k43 s LYS 2 Ca 0.00 0.85 0.00 0.00 0.00 0.00 0.00 55.97 56.82 2k43 s LYS 2 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 37.83 34.51 2k43 s LYS 2 CO 0.00 0.42 0.00 1.17 0.00 0.00 0.00 175.35 176.94 2k43 n LYS 3 N 2.45 0.00 -3.57 1.78 4.81 -1.26 -4.95 118.16 117.42 2k43 n LYS 3 Ca -0.06 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.00 2k43 n LYS 3 Cb 0.51 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 3.94 0.23 1.64 0.05 -1.26 -4.57 135.00 133.03 2k43 s PRO 4 Ca 0.00 0.23 -0.04 0.00 0.05 0.00 0.00 61.00 61.24 2k43 s PRO 4 Cb 0.00 -3.28 -0.05 0.00 0.05 0.00 0.00 34.50 31.22 2k43 s PRO 4 CO 0.00 0.56 0.48 0.15 0.05 0.00 0.00 177.00 178.24 2k43 s LYS 5 N -0.58 3.62 -0.16 4.56 1.02 0.31 -2.19 119.74 126.32 2k43 s LYS 5 Ca 0.20 -0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.05 2k43 s LYS 5 Cb -0.15 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2k43 s LYS 5 CO 0.09 0.32 0.10 -1.17 -0.92 0.00 0.00 175.35 173.77 2k43 s LEU 6 N -3.23 4.07 -0.37 3.17 1.98 0.17 -2.30 118.68 122.17 2k43 s LEU 6 Ca 0.42 0.24 -0.17 0.00 -2.89 0.00 0.00 54.13 51.73 2k43 s LEU 6 Cb -0.11 -2.02 0.00 0.00 0.66 0.00 0.00 46.19 44.72 2k43 s LEU 6 CO 0.28 0.26 0.45 -0.22 -1.89 0.00 0.00 176.35 175.22 2k43 s LEU 7 N -0.13 4.50 -0.30 -0.68 0.20 -1.26 -1.15 118.68 119.86 2k43 s LEU 7 Ca 0.09 -0.26 -0.00 0.00 0.69 0.00 0.00 54.13 54.64 2k43 s LEU 7 Cb -0.12 -2.46 0.09 0.00 -0.43 0.00 0.00 46.19 43.28 2k43 s LEU 7 CO 0.01 -0.46 0.08 -0.72 -0.29 0.00 0.00 176.35 174.96 2k43 s TYR 8 N 2.22 1.87 -0.63 5.38 1.13 -0.67 -2.11 117.35 124.53 2k43 s TYR 8 Ca 0.15 -1.77 0.05 0.00 -1.41 0.00 0.00 57.07 54.09 2k43 s TYR 8 Cb -0.16 -1.75 0.19 0.00 -1.10 0.00 0.00 41.96 39.14 2k43 s TYR 8 CO 0.13 -0.85 0.53 0.00 -2.51 0.00 0.00 175.55 172.84 2k43 s SER 10 N -1.42 0.73 -0.80 0.00 0.01 -1.21 -3.81 113.70 107.20 2k43 s SER 10 Ca 0.30 -0.63 -0.26 0.00 1.31 0.00 0.00 55.95 56.67 2k43 s SER 10 Cb 0.02 0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.36 2k43 s SER 10 CO -0.14 -0.29 1.30 0.21 0.41 0.00 0.00 173.24 174.73 2k43 s ASN 11 N -1.84 6.24 0.00 2.44 2.47 -1.26 -4.63 114.94 118.36 2k43 s ASN 11 Ca -0.07 -0.72 0.00 0.00 0.42 0.00 0.00 52.86 52.48 2k43 s ASN 11 Cb -0.07 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2k43 s ASN 11 CO -0.01 -1.74 0.00 0.61 -3.72 0.00 0.00 177.10 172.24 2k43 n GLY 12 N 5.72 2.31 2.79 1.21 0.00 -1.26 -5.12 105.19 110.85 2k43 n GLY 12 Ca 0.10 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.57 0.19 -0.02 0.00 -1.26 -5.16 107.32 99.51 2k43 s GLY 13 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.13 2k43 s GLY 13 CO 0.00 4.03 0.01 0.30 0.00 0.00 0.00 173.10 177.44 2k43 s HIS 14 N 1.27 1.32 -0.00 1.90 3.76 -1.26 -4.77 115.29 117.50 2k43 s HIS 14 Ca 0.23 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 54.13 2k43 s HIS 14 Cb 0.05 -0.76 -0.00 0.00 1.11 0.00 0.00 32.58 32.98 2k43 s HIS 14 CO -0.09 -0.18 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.55 2k43 s PHE 15 N -3.61 0.11 0.19 1.40 0.08 -0.96 -4.46 117.98 110.73 2k43 s PHE 15 Ca 0.26 -0.02 -0.28 0.00 0.12 0.00 0.00 56.93 57.01 2k43 s PHE 15 Cb 0.06 -0.07 -0.08 0.00 -0.57 0.00 0.00 43.02 42.35 2k43 s PHE 15 CO 0.06 -0.00 0.88 -0.48 -0.10 0.00 0.00 175.22 175.58 2k43 s LEU 16 N -0.00 4.60 0.07 -0.37 0.05 -0.90 0.46 118.68 122.59 2k43 s LEU 16 Ca 0.00 1.81 0.06 0.00 0.05 0.00 0.00 54.13 56.05 2k43 s LEU 16 Cb -0.01 -3.49 -0.03 0.00 -2.05 0.00 0.00 46.19 40.61 2k43 s LEU 16 CO -0.00 0.14 -0.16 -0.13 -0.55 0.00 0.00 176.35 175.65 2k43 s ARG 17 N -0.95 0.93 -0.09 1.48 0.52 0.16 -4.09 118.95 116.91 2k43 s ARG 17 Ca 0.40 -0.94 -0.13 0.00 -0.52 0.00 0.00 55.73 54.54 2k43 s ARG 17 Cb -0.24 -0.99 -0.05 0.00 0.52 0.00 0.00 34.95 34.18 2k43 s ARG 17 CO 0.30 0.23 0.31 0.96 0.02 0.00 0.00 175.30 177.12 2k43 s ILE 18 N -1.11 5.24 0.23 1.52 -5.25 -1.24 -2.95 121.20 117.63 2k43 s ILE 18 Ca 0.01 0.61 0.09 0.00 -0.99 0.00 0.00 60.65 60.37 2k43 s ILE 18 Cb -0.09 -3.62 -0.04 0.00 2.95 0.00 0.00 42.46 41.65 2k43 s ILE 18 CO 0.02 0.50 -0.01 -0.76 -1.79 0.00 0.00 174.94 172.91 2k43 s LEU 19 N -0.40 3.21 0.00 0.37 1.43 -1.23 -5.01 118.68 117.05 2k43 s LEU 19 Ca 0.19 -0.56 0.16 0.00 -1.03 0.00 0.00 54.13 52.89 2k43 s LEU 19 Cb -0.14 -1.79 0.97 0.00 0.03 0.00 0.00 46.19 45.26 2k43 s LEU 19 CO 0.08 0.04 1.43 -0.81 0.23 0.00 0.00 176.35 177.31 2k43 n PRO 20 N -0.58 0.69 0.12 1.29 -0.04 -1.26 -1.19 135.00 134.03 2k43 n PRO 20 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2k43 n PRO 20 Cb 0.57 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.66 2k43 n PRO 20 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k43 h ASP 21 N 0.00 0.00 0.00 3.54 3.58 -1.97 -3.48 116.42 118.09 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 0.61 0.00 0.61 -2.88 0.00 0.00 179.24 177.58 2k43 n GLY 22 N 1.26 1.23 3.60 -0.78 0.00 -0.33 -5.01 105.19 105.16 2k43 n GLY 22 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 3.96 -0.51 2.61 2.01 -1.18 -0.76 115.64 119.76 2k43 s THR 23 Ca 0.00 -0.37 -0.13 0.00 0.31 0.00 0.00 61.69 61.49 2k43 s THR 23 Cb 0.00 -2.65 0.12 0.00 0.01 0.00 0.00 72.50 69.98 2k43 s THR 23 CO 0.00 0.58 0.44 0.54 -0.69 0.00 0.00 174.62 175.49 2k43 s VAL 24 N -0.63 4.83 0.05 3.82 0.11 -1.08 -3.54 120.40 123.96 2k43 s VAL 24 Ca 0.10 -1.60 0.03 0.00 -2.93 0.00 0.00 61.98 57.58 2k43 s VAL 24 Cb -0.12 -4.12 -0.02 0.00 -1.53 0.00 0.00 36.38 30.59 2k43 s VAL 24 CO 0.02 -0.83 -0.10 1.51 -3.33 0.00 0.00 175.10 172.37 2k43 s ASP 25 N 3.22 1.16 -0.04 3.54 1.47 -1.15 -0.35 116.67 124.52 2k43 s ASP 25 Ca 0.04 -0.54 -0.15 0.00 1.18 0.00 0.00 52.55 53.08 2k43 s ASP 25 Cb -0.28 -0.01 -0.05 0.00 -0.34 0.00 0.00 42.92 42.24 2k43 s ASP 25 CO 0.02 -0.13 0.41 -0.83 0.68 0.00 0.00 175.17 175.31 2k43 s GLY 26 N -1.53 2.43 -0.03 2.12 0.00 -0.47 0.39 107.32 110.24 2k43 s GLY 26 Ca -0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 44.72 44.34 2k43 s GLY 26 CO 0.01 0.30 0.18 -1.59 0.00 0.00 0.00 173.10 172.00 2k43 s THR 27 N -0.55 0.05 -0.52 0.90 2.01 0.17 -4.35 115.64 113.35 2k43 s THR 27 Ca 0.23 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 2k43 s THR 27 Cb -0.16 -0.39 0.04 0.00 0.01 0.00 0.00 72.50 72.00 2k43 s THR 27 CO 0.12 -0.21 0.87 -0.13 -0.69 0.00 0.00 174.62 174.58 2k43 s ARG 28 N -0.76 3.33 -0.20 4.92 0.52 -1.26 -2.26 118.95 123.23 2k43 s ARG 28 Ca -0.08 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 2k43 s ARG 28 Cb -0.05 -4.03 0.10 0.00 0.52 0.00 0.00 34.95 31.49 2k43 s ARG 28 CO 0.01 -1.37 0.26 -0.51 0.02 0.00 0.00 175.30 173.71 2k43 s ASP 29 N 2.67 1.00 0.00 0.23 1.01 -1.26 -4.98 116.67 115.34 2k43 s ASP 29 Ca 0.29 -0.03 0.00 0.00 0.71 0.00 0.00 52.55 53.51 2k43 s ASP 29 Cb -0.13 0.59 0.00 0.00 1.01 0.00 0.00 42.92 44.38 2k43 s ASP 29 CO 0.19 -0.31 0.91 -2.11 0.21 0.00 0.00 175.17 174.06 2k43 n ARG 30 N 5.33 2.39 -0.62 8.23 -4.01 -1.26 -4.25 116.66 122.47 2k43 n ARG 30 Ca -0.05 -1.32 0.09 0.00 -1.04 0.00 0.00 57.85 55.52 2k43 n ARG 30 Cb 0.50 -0.96 0.35 0.00 -3.04 0.00 0.00 32.46 29.30 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 -0.41 4.69 -4.32 2.89 7.64 -1.26 -4.94 113.62 117.89 2k43 n SER 31 Ca 0.00 -2.46 -0.27 0.00 1.01 0.00 0.00 58.87 57.15 2k43 n SER 31 Cb 0.24 -0.58 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 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 1.05 3.05 -1.54 6.43 2.03 -1.26 -5.06 116.55 121.25 2k43 n ASP 32 Ca 0.25 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.60 2k43 n ASP 32 Cb 0.89 0.23 0.17 0.00 -0.72 0.00 0.00 41.12 41.69 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 -1.21 2.11 0.00 -0.67 6.02 -1.26 -4.56 117.38 117.82 2k43 n GLN 33 Ca -0.14 -3.25 0.00 0.00 -0.01 0.00 0.00 57.00 53.60 2k43 n GLN 33 Cb 0.55 -1.96 0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 -1.09 0.00 1.32 1.08 8.25 -1.26 -4.59 115.22 118.94 2k43 n HIS 34 Ca 0.42 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 58.01 2k43 n HIS 34 Cb 1.13 0.00 0.45 0.00 1.12 0.00 0.00 29.99 32.69 2k43 n HIS 34 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2k43 n ILE 35 N -0.96 0.00 -3.01 1.59 -5.35 -1.26 -3.68 119.36 106.69 2k43 n ILE 35 Ca 0.00 -0.13 -0.44 0.00 -0.27 0.00 0.00 62.75 61.91 2k43 n ILE 35 Cb 0.00 0.31 -0.04 0.00 -1.74 0.00 0.00 39.64 38.17 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 -2.41 3.09 0.07 6.28 0.00 -1.26 -4.38 119.66 121.04 2k43 s GLN 36 Ca 0.28 -1.05 0.07 0.00 -0.00 0.00 0.00 55.36 54.65 2k43 s GLN 36 Cb 0.20 -4.23 -0.04 0.00 0.00 0.00 0.00 33.01 28.95 2k43 s GLN 36 CO 0.48 -1.60 -0.15 -0.48 0.00 0.00 0.00 175.29 173.54 2k43 s LEU 37 N 3.22 2.80 -0.45 2.60 0.05 -0.97 -2.56 118.68 123.37 2k43 s LEU 37 Ca 0.16 -0.42 -0.17 0.00 0.05 0.00 0.00 54.13 53.76 2k43 s LEU 37 Cb -0.21 -1.63 0.04 0.00 -2.05 0.00 0.00 46.19 42.35 2k43 s LEU 37 CO 0.09 0.22 0.43 -1.58 -0.55 0.00 0.00 176.35 174.96 2k43 s GLN 38 N -1.79 3.04 -0.52 1.48 -0.44 0.23 0.11 119.66 121.77 2k43 s GLN 38 Ca 0.17 -1.02 -0.05 0.00 -2.50 0.00 0.00 55.36 51.97 2k43 s GLN 38 Cb -0.11 -4.05 0.14 0.00 -1.64 0.00 0.00 33.01 27.35 2k43 s GLN 38 CO 0.09 -0.96 0.35 -1.17 0.50 0.00 0.00 175.29 174.09 2k43 s LEU 39 N 1.99 5.42 0.40 3.68 0.20 -1.26 -1.83 118.68 127.29 2k43 s LEU 39 Ca 0.09 -2.33 0.08 0.00 0.69 0.00 0.00 54.13 52.65 2k43 s LEU 39 Cb -0.20 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.62 2k43 s LEU 39 CO 0.10 -0.52 0.21 -0.44 -0.29 0.00 0.00 176.35 175.42 2k43 s SER 40 N 1.62 4.56 -0.40 3.68 0.01 -1.00 -4.90 113.70 117.27 2k43 s SER 40 Ca 0.11 -0.98 -0.02 0.00 1.31 0.00 0.00 55.95 56.37 2k43 s SER 40 Cb -0.22 -0.52 0.11 0.00 0.21 0.00 0.00 66.02 65.60 2k43 s SER 40 CO -0.03 -0.53 0.18 0.00 0.41 0.00 0.00 173.24 173.26 2k43 s ALA 41 N -2.56 3.12 -0.23 1.44 0.00 -1.26 -0.22 121.76 122.05 2k43 s ALA 41 Ca 0.42 -2.55 -0.02 0.00 0.00 0.00 0.00 51.96 49.81 2k43 s ALA 41 Cb 0.02 -2.34 -0.18 0.00 0.00 0.00 0.00 23.12 20.61 2k43 s ALA 41 CO 0.24 -1.79 -0.11 0.39 0.00 0.00 0.00 175.76 174.48 2k43 n GLU 42 N 4.52 0.66 -3.94 0.00 1.02 -1.15 -4.95 120.64 116.80 2k43 n GLU 42 Ca -0.01 0.20 -0.23 0.00 -0.02 0.00 0.00 57.16 57.09 2k43 n GLU 42 Cb 0.41 -1.56 -0.06 0.00 -0.02 0.00 0.00 31.44 30.21 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 -6.73 4.64 -0.13 1.62 0.01 -1.23 -5.04 113.70 106.82 2k43 s SER 43 Ca -0.33 -0.97 -0.29 0.00 1.31 0.00 0.00 55.95 55.67 2k43 s SER 43 Cb 0.09 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.79 2k43 s SER 43 CO 0.62 -0.60 1.76 -0.69 0.41 0.00 0.00 173.24 174.75 2k43 s VAL 44 N -2.56 3.47 0.00 3.43 1.01 -1.26 -2.59 120.40 121.89 2k43 s VAL 44 Ca 0.43 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.95 2k43 s VAL 44 Cb 0.01 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2k43 s VAL 44 CO 0.24 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.81 2k43 n GLY 45 N 4.63 3.00 3.80 4.51 0.00 -1.26 -5.01 105.19 114.86 2k43 n GLY 45 Ca 0.20 0.00 -0.33 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 -0.18 3.12 0.04 1.61 1.03 -1.07 -1.51 118.70 121.72 2k43 s GLU 46 Ca 0.00 -0.47 0.09 0.00 0.03 0.00 0.00 54.97 54.62 2k43 s GLU 46 Cb 0.00 -2.89 -0.03 0.00 -0.80 0.00 0.00 34.13 30.41 2k43 s GLU 46 CO 0.00 0.65 -0.24 0.14 -1.33 0.00 0.00 175.26 174.48 2k43 s VAL 47 N -1.22 2.30 -0.18 1.83 -7.23 0.22 -2.95 120.40 113.18 2k43 s VAL 47 Ca 0.24 -1.30 -0.01 0.00 -1.81 0.00 0.00 61.98 59.10 2k43 s VAL 47 Cb -0.12 -1.90 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2k43 s VAL 47 CO 0.15 0.39 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.88 2k43 s TYR 48 N -0.81 2.83 -0.53 2.82 1.51 0.70 -2.41 117.35 121.46 2k43 s TYR 48 Ca 0.12 -1.15 -0.16 0.00 -1.01 0.00 0.00 57.07 54.87 2k43 s TYR 48 Cb -0.10 -1.96 0.11 0.00 -0.11 0.00 0.00 41.96 39.90 2k43 s TYR 48 CO 0.02 -0.57 0.50 0.42 -1.11 0.00 0.00 175.55 174.82 2k43 s ILE 49 N 1.11 5.15 0.18 2.71 1.01 -1.26 -2.38 121.20 127.72 2k43 s ILE 49 Ca 0.00 -1.26 0.11 0.00 0.00 0.00 0.00 60.65 59.50 2k43 s ILE 49 Cb -0.14 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2k43 s ILE 49 CO -0.04 -0.82 -0.24 -1.59 0.00 0.00 0.00 174.94 172.26 2k43 s LYS 50 N 1.79 1.46 0.21 2.79 -2.85 -0.76 -4.47 119.74 117.90 2k43 s LYS 50 Ca 0.05 -1.47 -0.29 0.00 -1.00 0.00 0.00 55.97 53.26 2k43 s LYS 50 Cb -0.27 -1.77 -0.08 0.00 -2.06 0.00 0.00 37.83 33.64 2k43 s LYS 50 CO 0.05 0.39 0.89 -1.12 0.10 0.00 0.00 175.35 175.66 2k43 s SER 51 N -2.55 7.56 0.00 0.03 0.01 -1.21 0.75 113.70 118.29 2k43 s SER 51 Ca 0.19 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.29 2k43 s SER 51 Cb -0.08 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2k43 s SER 51 CO 0.09 0.16 0.00 0.41 0.41 0.00 0.00 173.24 174.30 2k43 n THR 52 N 1.63 0.00 -0.11 1.44 -1.04 -1.18 -4.67 114.28 110.35 2k43 n THR 52 Ca -0.03 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 2k43 n THR 52 Cb 0.48 -0.15 -0.11 0.00 -1.82 0.00 0.00 70.33 68.73 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 0.57 -0.36 -2.82 -0.58 -1.26 -4.67 120.64 111.51 2k43 n GLU 53 Ca 0.00 0.52 0.08 0.00 -0.42 0.00 0.00 57.16 57.34 2k43 n GLU 53 Cb 0.00 -1.70 0.21 0.00 -0.57 0.00 0.00 31.44 29.38 2k43 n GLU 53 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2k43 n THR 54 N -4.40 2.18 -0.01 2.62 -1.04 -1.26 -4.91 114.28 107.45 2k43 n THR 54 Ca -0.36 -2.16 -0.04 0.00 -2.04 0.00 0.00 64.05 59.45 2k43 n THR 54 Cb 0.71 -0.26 -0.12 0.00 -1.82 0.00 0.00 70.33 68.85 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 -0.93 -1.09 0.00 3.41 0.00 -1.06 -4.45 105.19 101.08 2k43 n GLY 55 Ca 0.21 -0.13 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 -2.90 0.00 -3.43 1.61 -0.00 -1.25 -4.17 117.38 107.24 2k43 n GLN 56 Ca -0.15 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.42 2k43 n GLN 56 Cb 0.95 0.00 -0.03 0.00 -0.00 0.00 0.00 30.24 31.16 2k43 n GLN 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2k43 s TYR 57 N -1.44 4.00 -0.41 2.61 5.04 -1.08 -3.32 117.35 122.74 2k43 s TYR 57 Ca 0.00 -2.58 -0.29 0.00 -2.44 0.00 0.00 57.07 51.76 2k43 s TYR 57 Cb 0.00 -3.66 0.01 0.00 0.35 0.00 0.00 41.96 38.65 2k43 s TYR 57 CO 0.00 -0.91 1.46 -1.17 -1.34 0.00 0.00 175.55 173.59 2k43 s LEU 58 N -0.81 3.56 -0.25 6.97 0.20 -1.26 -2.62 118.68 124.48 2k43 s LEU 58 Ca 0.26 0.84 -0.08 0.00 0.69 0.00 0.00 54.13 55.84 2k43 s LEU 58 Cb -0.10 -3.51 -0.03 0.00 -0.43 0.00 0.00 46.19 42.11 2k43 s LEU 58 CO -0.09 -1.49 0.08 0.00 -0.29 0.00 0.00 176.35 174.57 2k43 s ALA 59 N 5.65 3.22 0.11 5.97 0.00 0.21 -0.66 121.76 136.26 2k43 s ALA 59 Ca 0.63 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.20 2k43 s ALA 59 Cb -0.14 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 20.81 2k43 s ALA 59 CO 0.32 -0.43 1.00 0.00 0.00 0.00 0.00 175.76 176.66 2k43 s MET 60 N 1.50 4.65 -1.03 0.00 0.23 -1.21 -1.67 119.30 121.76 2k43 s MET 60 Ca 0.06 1.52 -0.05 0.00 -1.03 0.00 0.00 55.69 56.19 2k43 s MET 60 Cb -0.15 -3.36 0.27 0.00 -1.53 0.00 0.00 34.83 30.06 2k43 s MET 60 CO 0.04 0.13 1.12 -3.47 -2.03 0.00 0.00 175.02 170.81 2k43 n ASP 61 N 2.88 5.36 0.00 -1.18 2.03 -0.95 -4.80 116.55 119.89 2k43 n ASP 61 Ca 0.03 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.15 2k43 n ASP 61 Cb 0.49 -1.23 0.00 0.00 -0.72 0.00 0.00 41.12 39.66 2k43 n ASP 61 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2k43 n THR 62 N 2.10 0.00 0.00 5.18 -2.24 -1.26 -2.17 114.28 115.89 2k43 n THR 62 Ca 0.24 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2k43 n THR 62 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 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 2.32 0.00 -0.01 3.42 -0.08 -1.26 -4.47 116.55 116.47 2k43 n ASP 63 Ca 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 54.79 53.37 2k43 n ASP 63 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 2k43 n ASP 63 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k43 n GLY 64 N 0.00 -0.82 3.57 0.27 0.00 -0.92 -3.40 105.19 103.88 2k43 n GLY 64 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 2k43 n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k43 s LEU 65 N -4.26 -0.87 -0.28 0.99 0.20 -1.25 -0.10 118.68 113.10 2k43 s LEU 65 Ca -0.07 1.42 -0.07 0.00 0.69 0.00 0.00 54.13 56.11 2k43 s LEU 65 Cb 0.11 2.17 -0.00 0.00 -0.43 0.00 0.00 46.19 48.04 2k43 s LEU 65 CO 0.75 -0.23 0.07 -0.76 -0.29 0.00 0.00 176.35 175.89 2k43 s LEU 66 N 2.00 3.72 0.11 -0.68 2.01 -0.43 -2.24 118.68 123.18 2k43 s LEU 66 Ca -0.08 -0.58 0.09 0.00 0.01 0.00 0.00 54.13 53.57 2k43 s LEU 66 Cb -0.08 -1.89 -0.04 0.00 0.01 0.00 0.00 46.19 44.20 2k43 s LEU 66 CO -0.18 -0.15 -0.23 -0.72 1.01 0.00 0.00 176.35 176.08 2k43 s TYR 67 N 1.53 1.93 -0.28 0.29 1.13 -0.67 -4.18 117.35 117.10 2k43 s TYR 67 Ca 0.04 -0.41 -0.24 0.00 -1.41 0.00 0.00 57.07 55.05 2k43 s TYR 67 Cb -0.17 -1.05 0.10 0.00 -1.10 0.00 0.00 41.96 39.74 2k43 s TYR 67 CO 0.03 0.24 0.89 0.20 -2.51 0.00 0.00 175.55 174.39 2k43 s GLY 68 N -1.95 -0.32 0.15 5.49 0.00 0.06 0.66 107.32 111.40 2k43 s GLY 68 Ca 0.08 2.46 0.00 0.00 0.00 0.00 0.00 44.72 47.27 2k43 s GLY 68 CO 0.05 1.91 0.00 -1.26 0.00 0.00 0.00 173.10 173.80 2k43 n SER 69 N 2.68 -0.75 0.01 1.64 2.88 -1.08 -2.65 113.62 116.36 2k43 n SER 69 Ca -0.14 0.27 -0.21 0.00 -1.33 0.00 0.00 58.87 57.45 2k43 n SER 69 Cb 0.56 0.88 -0.14 0.00 -0.75 0.00 0.00 64.21 64.76 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 0.25 -5.05 -1.46 3.07 -1.86 -2.86 115.11 107.20 2k43 h GLN 70 Ca 0.00 -0.42 -0.57 0.00 0.09 0.00 0.00 58.65 57.75 2k43 h GLN 70 Cb 0.00 0.16 -0.13 0.00 0.08 0.00 0.00 27.48 27.59 2k43 h GLN 70 CO 0.00 1.20 -0.51 0.95 0.09 0.00 0.00 178.83 180.56 2k43 s THR 71 N -2.48 0.61 -0.33 1.86 -4.23 -1.26 -4.75 115.64 105.05 2k43 s THR 71 Ca -0.20 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.33 2k43 s THR 71 Cb 0.05 -2.32 0.09 0.00 1.34 0.00 0.00 72.50 71.66 2k43 s THR 71 CO 0.77 0.00 0.04 -2.16 -0.54 0.00 0.00 174.62 172.73 2k43 s PRO 72 N -3.70 1.81 0.25 3.99 0.04 -1.26 -2.74 135.00 133.38 2k43 s PRO 72 Ca 0.22 -1.71 0.01 0.00 0.04 0.00 0.00 61.00 59.56 2k43 s PRO 72 Cb 0.02 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 31.40 2k43 s PRO 72 CO 0.14 -0.86 0.34 0.09 0.04 0.00 0.00 177.00 176.75 2k43 n ASN 73 N 4.38 0.61 -4.27 6.66 4.13 -1.26 -4.99 115.26 120.51 2k43 n ASN 73 Ca -0.02 -1.48 -0.43 0.00 1.68 0.00 0.00 54.58 54.33 2k43 n ASN 73 Cb 0.42 -0.21 -0.07 0.00 -1.54 0.00 0.00 39.78 38.39 2k43 n ASN 73 CO 0.00 0.00 0.00 -1.83 0.28 0.00 0.00 177.26 175.71 2k43 s GLU 74 N -3.22 2.75 0.00 3.52 1.03 -1.26 -4.08 118.70 117.44 2k43 s GLU 74 Ca 0.24 -1.71 0.00 0.00 0.03 0.00 0.00 54.97 53.52 2k43 s GLU 74 Cb -0.02 -4.11 0.00 0.00 -0.80 0.00 0.00 34.13 29.20 2k43 s GLU 74 CO 0.15 -1.25 0.00 0.39 -1.33 0.00 0.00 175.26 173.23 2k43 n GLU 75 N 5.09 1.64 0.00 -4.83 -0.58 -1.26 -4.83 120.64 115.87 2k43 n GLU 75 Ca -0.11 0.00 0.15 0.00 -0.42 0.00 0.00 57.16 56.78 2k43 n GLU 75 Cb 0.41 -0.69 0.72 0.00 -0.57 0.00 0.00 31.44 31.31 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 -2.16 4.32 0.25 0.00 0.05 -1.26 -4.37 118.68 115.50 2k43 s LEU 77 Ca 0.39 2.11 0.09 0.00 0.05 0.00 0.00 54.13 56.76 2k43 s LEU 77 Cb 0.21 -3.56 -0.05 0.00 -2.05 0.00 0.00 46.19 40.74 2k43 s LEU 77 CO 0.39 -0.71 -0.14 -0.36 -0.55 0.00 0.00 176.35 174.98 2k43 s PHE 78 N 2.38 1.95 -0.00 3.48 0.08 -1.01 -4.08 117.98 120.77 2k43 s PHE 78 Ca 0.64 -0.54 -0.16 0.00 0.12 0.00 0.00 56.93 56.99 2k43 s PHE 78 Cb -0.31 -0.95 -0.06 0.00 -0.57 0.00 0.00 43.02 41.13 2k43 s PHE 78 CO 0.26 0.44 0.44 -1.17 -0.10 0.00 0.00 175.22 175.10 2k43 s LEU 79 N -3.41 4.46 -0.14 -0.37 0.20 0.11 -0.61 118.68 118.93 2k43 s LEU 79 Ca 0.26 0.99 -0.16 0.00 0.69 0.00 0.00 54.13 55.91 2k43 s LEU 79 Cb -0.01 -2.64 -0.04 0.00 -0.43 0.00 0.00 46.19 43.07 2k43 s LEU 79 CO 0.10 0.28 0.40 -1.83 -0.29 0.00 0.00 176.35 175.01 2k43 s GLU 80 N -0.87 4.30 -0.06 1.98 4.04 -0.57 -0.08 118.70 127.44 2k43 s GLU 80 Ca 0.25 0.30 0.03 0.00 0.04 0.00 0.00 54.97 55.58 2k43 s GLU 80 Cb -0.17 -3.43 0.01 0.00 0.02 0.00 0.00 34.13 30.56 2k43 s GLU 80 CO 0.14 0.19 -0.13 0.50 -1.84 0.00 0.00 175.26 174.12 2k43 s ARG 81 N 0.55 1.70 -0.21 -4.83 6.06 -0.58 -4.93 118.95 116.72 2k43 s ARG 81 Ca 0.22 -0.45 -0.12 0.00 -2.50 0.00 0.00 55.73 52.88 2k43 s ARG 81 Cb -0.14 -1.42 -0.05 0.00 0.06 0.00 0.00 34.95 33.40 2k43 s ARG 81 CO 0.07 0.08 0.22 -0.51 -2.50 0.00 0.00 175.30 172.66 2k43 s LEU 82 N 0.51 4.17 0.39 -0.88 1.43 -1.26 -0.43 118.68 122.61 2k43 s LEU 82 Ca -0.12 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 2k43 s LEU 82 Cb -0.15 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2k43 s LEU 82 CO 0.03 0.08 0.63 -0.70 0.23 0.00 0.00 176.35 176.62 2k43 s GLU 83 N 0.79 3.51 0.04 1.70 -6.30 -0.21 -4.94 118.70 113.29 2k43 s GLU 83 Ca 0.11 -0.13 0.24 0.00 -2.50 0.00 0.00 54.97 52.69 2k43 s GLU 83 Cb -0.13 -2.56 0.27 0.00 0.00 0.00 0.00 34.13 31.71 2k43 s GLU 83 CO 0.03 0.03 1.23 -0.85 0.02 0.00 0.00 175.26 175.73 2k43 n GLU 84 N -1.89 0.15 -0.91 4.30 0.28 -1.26 -3.33 120.64 117.98 2k43 n GLU 84 Ca -0.03 0.02 -0.18 0.00 -0.16 0.00 0.00 57.16 56.81 2k43 n GLU 84 Cb 0.56 -1.57 0.11 0.00 1.43 0.00 0.00 31.44 31.97 2k43 n GLU 84 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2k43 n ASN 85 N -1.77 4.22 -3.94 -1.84 3.02 -1.26 -4.85 115.26 108.84 2k43 n ASN 85 Ca 0.04 -3.18 -0.31 0.00 -0.03 0.00 0.00 54.58 51.10 2k43 n ASN 85 Cb 0.39 -0.80 0.02 0.00 -0.61 0.00 0.00 39.78 38.78 2k43 n ASN 85 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k43 n HIS 86 N -0.57 -2.26 -4.12 3.10 8.25 -1.21 -5.00 115.22 113.40 2k43 n HIS 86 Ca 0.43 0.90 -0.27 0.00 -0.26 0.00 0.00 57.72 58.51 2k43 n HIS 86 Cb 1.19 -3.90 -0.07 0.00 1.12 0.00 0.00 29.99 28.32 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 -3.30 3.03 0.01 4.41 2.02 -1.25 -5.00 117.35 117.27 2k43 s TYR 87 Ca 0.67 -0.04 -0.03 0.00 -0.37 0.00 0.00 57.07 57.29 2k43 s TYR 87 Cb -0.34 -1.49 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2k43 s TYR 87 CO 0.84 0.51 0.20 1.21 -1.57 0.00 0.00 175.55 176.74 2k43 s ASN 88 N -2.85 6.39 0.09 2.29 3.04 -0.64 -1.05 114.94 122.21 2k43 s ASN 88 Ca 0.29 0.37 0.07 0.00 0.04 0.00 0.00 52.86 53.63 2k43 s ASN 88 Cb -0.10 -2.01 -0.03 0.00 -1.54 0.00 0.00 41.25 37.56 2k43 s ASN 88 CO 0.21 0.24 -0.19 -0.89 -3.04 0.00 0.00 177.10 173.43 2k43 s THR 89 N -1.36 1.53 -0.10 -5.21 2.01 0.42 -1.42 115.64 111.52 2k43 s THR 89 Ca 0.29 -1.46 0.03 0.00 0.31 0.00 0.00 61.69 60.85 2k43 s THR 89 Cb -0.13 -1.41 0.01 0.00 0.01 0.00 0.00 72.50 70.98 2k43 s THR 89 CO 0.20 -0.10 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.53 2k43 s TYR 90 N -1.18 2.15 0.10 4.92 2.02 -1.26 -1.52 117.35 122.58 2k43 s TYR 90 Ca 0.04 -0.95 0.01 0.00 -0.37 0.00 0.00 57.07 55.80 2k43 s TYR 90 Cb -0.10 -1.50 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2k43 s TYR 90 CO 0.04 -0.44 0.24 0.42 -1.57 0.00 0.00 175.55 174.23 2k43 s ILE 91 N 0.71 5.32 -0.68 2.71 1.01 0.88 -2.40 121.20 128.75 2k43 s ILE 91 Ca -0.12 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.79 2k43 s ILE 91 Cb -0.16 -3.66 0.10 0.00 0.01 0.00 0.00 42.46 38.76 2k43 s ILE 91 CO 0.02 0.04 0.85 -0.94 0.00 0.00 0.00 174.94 174.92 2k43 s SER 92 N -2.82 6.29 0.00 3.58 1.04 -1.18 0.09 113.70 120.69 2k43 s SER 92 Ca 0.35 -1.48 0.17 0.00 0.48 0.00 0.00 55.95 55.47 2k43 s SER 92 Cb -0.12 -2.35 0.86 0.00 0.10 0.00 0.00 66.02 64.52 2k43 s SER 92 CO 0.28 -1.17 1.50 1.17 0.98 0.00 0.00 173.24 175.99 2k43 n LYS 93 N 6.64 0.25 0.00 4.02 4.81 -1.26 0.27 118.16 132.89 2k43 n LYS 93 Ca -0.01 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2k43 n LYS 93 Cb 0.45 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.00 2k43 n LYS 93 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 2k43 n LYS 94 N -1.27 0.00 -1.52 1.64 0.00 -1.26 -3.47 118.16 112.27 2k43 n LYS 94 Ca 0.08 0.18 -0.30 0.00 -0.00 0.00 0.00 58.31 58.28 2k43 n LYS 94 Cb 0.13 -1.11 -0.01 0.00 -0.00 0.00 0.00 35.03 34.04 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 -1.05 2.11 0.27 5.58 8.25 -1.16 -4.51 115.22 124.71 2k43 n HIS 95 Ca 0.00 -2.14 0.13 0.00 -0.26 0.00 0.00 57.72 55.45 2k43 n HIS 95 Cb 0.00 -1.28 0.80 0.00 1.12 0.00 0.00 29.99 30.63 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 2.73 1.75 -0.72 -1.41 0.00 -0.22 -1.42 119.26 119.97 2k43 h ALA 96 Ca 0.45 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.46 2k43 h ALA 96 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2k43 h ALA 96 CO 1.08 -0.05 0.47 1.05 0.00 0.00 0.00 179.25 181.81 2k43 h GLU 97 N 0.00 0.55 -0.02 0.00 4.11 -1.84 -0.74 114.58 116.65 2k43 h GLU 97 Ca 0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k43 h GLU 97 Cb 0.08 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2k43 h GLU 97 CO -0.00 0.36 -0.26 1.17 0.07 0.00 0.00 179.01 180.35 2k43 n LYS 98 N -4.49 1.39 -1.05 1.06 4.81 -0.55 -4.94 118.16 114.40 2k43 n LYS 98 Ca 0.12 -1.04 -0.02 0.00 -0.87 0.00 0.00 58.31 56.50 2k43 n LYS 98 Cb 0.37 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 33.94 2k43 n LYS 98 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2k43 n ASN 99 N 0.10 -3.22 -4.74 3.14 4.13 -0.28 -5.03 115.26 109.37 2k43 n ASN 99 Ca 0.12 0.04 -0.29 0.00 1.68 0.00 0.00 54.58 56.14 2k43 n ASN 99 Cb 0.45 -0.87 0.14 0.00 -1.54 0.00 0.00 39.78 37.95 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 -2.07 2.40 0.13 3.10 0.52 -1.19 -4.99 118.94 116.84 2k43 s TRP 100 Ca 0.00 1.01 0.10 0.00 0.02 0.00 0.00 56.10 57.23 2k43 s TRP 100 Cb 0.00 -3.27 -0.04 0.00 -1.15 0.00 0.00 33.47 29.01 2k43 s TRP 100 CO 0.00 -2.45 -0.23 -0.06 0.02 0.00 0.00 176.95 174.24 2k43 s PHE 101 N -3.10 2.42 -0.32 -1.98 0.40 -1.26 -3.09 117.98 111.04 2k43 s PHE 101 Ca 0.64 -0.32 -0.21 0.00 -0.60 0.00 0.00 56.93 56.44 2k43 s PHE 101 Cb -0.16 -1.29 -0.00 0.00 0.51 0.00 0.00 43.02 42.07 2k43 s PHE 101 CO 0.55 0.37 0.65 0.08 0.70 0.00 0.00 175.22 177.58 2k43 s VAL 102 N -1.13 4.90 0.06 -0.44 1.01 -1.01 -4.51 120.40 119.29 2k43 s VAL 102 Ca 0.16 0.81 0.09 0.00 0.00 0.00 0.00 61.98 63.04 2k43 s VAL 102 Cb -0.10 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2k43 s VAL 102 CO 0.08 -0.21 -0.24 -0.83 0.00 0.00 0.00 175.10 173.90 2k43 s GLY 103 N 1.69 1.32 -0.10 4.51 0.00 -1.26 -4.48 107.32 109.00 2k43 s GLY 103 Ca 0.26 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.77 2k43 s GLY 103 CO 0.13 -1.16 -0.14 -2.27 0.00 0.00 0.00 173.10 169.67 2k43 s LEU 104 N -1.43 1.64 -0.61 0.66 2.96 -1.09 -2.57 118.68 118.25 2k43 s LEU 104 Ca 0.10 -0.39 -0.19 0.00 -0.22 0.00 0.00 54.13 53.43 2k43 s LEU 104 Cb -0.10 -1.01 0.11 0.00 0.50 0.00 0.00 46.19 45.69 2k43 s LEU 104 CO 0.03 0.00 0.72 -0.75 -1.32 0.00 0.00 176.35 175.03 2k43 s LYS 105 N 1.01 3.08 0.46 1.98 2.47 -0.89 -4.45 119.74 123.40 2k43 s LYS 105 Ca -0.07 -1.38 0.29 0.00 -1.56 0.00 0.00 55.97 53.25 2k43 s LYS 105 Cb -0.15 -4.30 0.98 0.00 -1.46 0.00 0.00 37.83 32.90 2k43 s LYS 105 CO -0.01 -1.54 1.83 1.57 0.16 0.00 0.00 175.35 177.35 2k43 h LYS 106 N 9.13 0.00 0.00 4.03 -0.00 -1.77 1.34 116.57 129.29 2k43 h LYS 106 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.38 2k43 h LYS 106 Cb 1.08 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.31 2k43 h LYS 106 CO 1.09 0.00 0.00 -1.71 -0.00 0.00 0.00 179.45 178.83 2k43 n ASN 107 N -2.93 0.40 0.00 7.07 2.85 -1.26 -1.73 115.26 119.66 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 0.37 -0.66 0.00 0.00 1.24 0.00 0.00 39.78 40.73 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 0.70 0.48 3.51 8.20 0.00 -0.30 -4.81 105.19 112.97 2k43 n GLY 108 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.47 -0.58 1.61 1.04 0.45 -1.36 113.70 115.39 2k43 s SER 109 Ca 0.00 -0.09 -0.21 0.00 0.48 0.00 0.00 55.95 56.12 2k43 s SER 109 Cb 0.00 0.56 0.07 0.00 0.10 0.00 0.00 66.02 66.75 2k43 s SER 109 CO 0.00 -0.94 0.82 0.00 0.98 0.00 0.00 173.24 174.10 2k43 s LYS 111 N 3.41 0.79 -0.36 0.00 0.00 -1.24 -1.31 119.74 121.02 2k43 s LYS 111 Ca 0.20 -0.75 0.02 0.00 0.00 0.00 0.00 55.97 55.44 2k43 s LYS 111 Cb -0.18 -2.10 0.15 0.00 0.00 0.00 0.00 37.83 35.70 2k43 s LYS 111 CO 0.12 -0.78 0.30 1.03 0.00 0.00 0.00 175.35 176.01 2k43 s ARG 112 N 1.71 0.60 0.00 1.78 1.81 -1.06 -4.70 118.95 119.08 2k43 s ARG 112 Ca 0.03 -1.10 0.00 0.00 -1.72 0.00 0.00 55.73 52.94 2k43 s ARG 112 Cb -0.17 -1.00 0.00 0.00 -0.45 0.00 0.00 34.95 33.32 2k43 s ARG 112 CO -0.15 -1.21 0.00 0.41 -0.68 0.00 0.00 175.30 173.67 2k43 n GLY 113 N 4.13 -0.32 0.00 -3.53 0.00 0.86 -4.07 105.19 102.25 2k43 n GLY 113 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.16 2k43 n GLY 113 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k43 n PRO 114 N -2.27 0.06 -0.00 1.61 -0.04 -1.26 -2.08 135.00 131.01 2k43 n PRO 114 Ca 0.00 0.26 0.02 0.00 -0.04 0.00 0.00 63.50 63.74 2k43 n PRO 114 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.94 2k43 n PRO 114 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k43 n ARG 115 N -1.30 5.39 -2.08 0.54 3.00 -1.26 -4.97 116.66 115.98 2k43 n ARG 115 Ca 0.02 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.85 57.43 2k43 n ARG 115 Cb 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 32.46 31.76 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 -1.43 3.62 -5.00 0.55 -4.23 -0.88 -3.44 115.64 104.82 2k43 s THR 116 Ca 0.01 0.67 0.00 0.00 -1.18 0.00 0.00 61.69 61.20 2k43 s THR 116 Cb 0.03 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 70.17 2k43 s THR 116 CO 0.17 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.90 2k43 n HIS 117 N 9.07 0.00 -2.72 3.99 1.44 -1.26 -4.26 115.22 121.48 2k43 n HIS 117 Ca 0.20 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.48 2k43 n HIS 117 Cb 0.46 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.56 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 -1.79 3.02 -0.10 -1.40 5.04 -1.26 -3.88 117.35 116.98 2k43 s TYR 118 Ca 0.00 -1.72 0.06 0.00 -2.44 0.00 0.00 57.07 52.96 2k43 s TYR 118 Cb 0.00 -4.58 -0.10 0.00 0.35 0.00 0.00 41.96 37.63 2k43 s TYR 118 CO 0.00 -1.66 -0.02 0.41 -1.34 0.00 0.00 175.55 172.94 2k43 n GLY 119 N 5.09 -0.36 3.02 8.97 0.00 -1.22 -5.06 105.19 115.62 2k43 n GLY 119 Ca 0.42 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.23 0.41 -0.01 1.61 2.00 -1.25 -5.01 119.66 115.18 2k43 s GLN 120 Ca -0.09 -0.73 0.01 0.00 -2.00 0.00 0.00 55.36 52.55 2k43 s GLN 120 Cb 0.03 0.02 0.03 0.00 0.80 0.00 0.00 33.01 33.90 2k43 s GLN 120 CO 0.35 -0.03 0.73 1.63 -0.50 0.00 0.00 175.29 177.46 2k43 n LYS 121 N 1.35 1.14 0.00 1.67 5.02 -1.26 -3.00 118.16 123.08 2k43 n LYS 121 Ca -0.22 -0.13 0.12 0.00 -2.02 0.00 0.00 58.31 56.05 2k43 n LYS 121 Cb 0.56 -1.34 0.55 0.00 -0.02 0.00 0.00 35.03 34.77 2k43 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k43 n ALA 122 N -0.13 2.14 1.43 7.82 0.00 -1.26 -2.76 120.51 127.75 2k43 n ALA 122 Ca 0.01 -0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.49 2k43 n ALA 122 Cb 0.19 -1.39 0.47 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.42 0.00 -3.37 0.00 2.08 -1.16 -2.66 119.36 112.83 2k43 n ILE 123 Ca 0.08 -0.29 -0.45 0.00 0.56 0.00 0.00 62.75 62.66 2k43 n ILE 123 Cb 0.24 0.64 -0.06 0.00 -0.75 0.00 0.00 39.64 39.71 2k43 n ILE 123 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2k43 s LEU 124 N -2.00 6.03 -0.19 1.39 1.43 -1.11 -4.65 118.68 119.58 2k43 s LEU 124 Ca 0.37 -1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 51.56 2k43 s LEU 124 Cb 0.21 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 2k43 s LEU 124 CO 0.33 -0.81 0.19 -0.36 0.23 0.00 0.00 176.35 175.94 2k43 s PHE 125 N 1.55 3.41 -0.16 0.29 0.40 -0.51 -3.35 117.98 119.62 2k43 s PHE 125 Ca 0.04 0.41 -0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2k43 s PHE 125 Cb -0.29 -2.24 0.04 0.00 0.51 0.00 0.00 43.02 41.04 2k43 s PHE 125 CO 0.02 0.24 -0.06 -1.17 0.70 0.00 0.00 175.22 174.95 2k43 s LEU 126 N 0.50 1.57 -0.37 -0.37 1.98 -0.93 -1.62 118.68 119.44 2k43 s LEU 126 Ca 0.11 -0.61 -0.09 0.00 -2.89 0.00 0.00 54.13 50.66 2k43 s LEU 126 Cb -0.12 -0.92 0.04 0.00 0.66 0.00 0.00 46.19 45.85 2k43 s LEU 126 CO 0.01 -0.17 0.18 -2.16 -1.89 0.00 0.00 176.35 172.32 2k43 s PRO 127 N 1.63 2.68 -0.23 0.98 0.04 -1.26 -1.67 135.00 137.17 2k43 s PRO 127 Ca 0.01 -1.22 -0.05 0.00 0.04 0.00 0.00 61.00 59.79 2k43 s PRO 127 Cb -0.15 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.74 2k43 s PRO 127 CO -0.08 -0.75 0.00 -0.51 0.04 0.00 0.00 177.00 175.70 2k43 s LEU 128 N 1.46 3.12 0.75 -3.56 1.43 -0.30 -4.79 118.68 116.79 2k43 s LEU 128 Ca 0.01 -0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 52.71 2k43 s LEU 128 Cb -0.20 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.28 2k43 s LEU 128 CO 0.04 -0.01 1.08 -2.16 0.23 0.00 0.00 176.35 175.53 2k43 s PRO 129 N 1.47 2.10 0.35 1.29 0.04 -1.26 0.46 135.00 139.44 2k43 s PRO 129 Ca 0.05 -0.10 -0.28 0.00 0.04 0.00 0.00 61.00 60.71 2k43 s PRO 129 Cb -0.15 -2.08 -0.12 0.00 0.04 0.00 0.00 34.50 32.20 2k43 s PRO 129 CO -0.00 -1.39 1.35 0.28 0.04 0.00 0.00 177.00 177.28 2k43 n VAL 130 N -3.09 1.99 -2.71 -0.36 0.31 -0.93 -4.80 118.33 108.75 2k43 n VAL 130 Ca 0.08 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.49 2k43 n VAL 130 Cb 0.61 -1.70 -0.03 0.00 -0.91 0.00 0.00 33.84 31.81 2k43 n VAL 130 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 2k43 s SER 131 N -0.25 7.37 -1.13 4.52 0.15 -1.26 -2.31 113.70 120.78 2k43 s SER 131 Ca 0.55 1.67 -0.14 0.00 0.70 0.00 0.00 55.95 58.73 2k43 s SER 131 Cb -0.54 -2.57 0.18 0.00 -1.71 0.00 0.00 66.02 61.39 2k43 s SER 131 CO 0.63 -0.26 1.31 -0.44 1.20 0.00 0.00 173.24 175.67 2k43 s SER 132 N 1.00 7.04 0.00 5.45 0.01 -1.26 -0.26 113.70 125.68 2k43 s SER 132 Ca 0.52 -2.94 0.00 0.00 1.31 0.00 0.00 55.95 54.84 2k43 s SER 132 Cb -0.21 -2.36 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k43 s SER 132 CO 0.28 -0.71 0.29 -0.67 0.41 0.00 0.00 173.24 172.84