#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfb s GLY 2 N 0.00 -0.11 -0.30 1.69 0.00 -1.26 -4.16 107.32 103.18 2kfb s GLY 2 Ca 0.00 0.05 -0.10 0.00 0.00 0.00 0.00 44.72 44.66 2kfb s GLY 2 CO 0.00 2.03 0.98 1.25 0.00 0.00 0.00 173.10 177.36 2kfb s LYS 3 N -2.43 0.23 0.42 2.90 2.20 -1.11 -4.62 119.74 117.32 2kfb s LYS 3 Ca 0.20 0.35 0.07 0.00 -0.36 0.00 0.00 55.97 56.22 2kfb s LYS 3 Cb -0.00 0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 36.44 2kfb s LYS 3 CO 0.02 -0.31 0.07 0.96 -0.36 0.00 0.00 175.35 175.73 2kfb s ILE 4 N 2.94 2.08 -0.13 5.43 -0.00 -1.10 -2.13 121.20 128.29 2kfb s ILE 4 Ca 0.09 -1.89 -0.00 0.00 -0.00 0.00 0.00 60.65 58.85 2kfb s ILE 4 Cb -0.08 -2.96 0.02 0.00 -0.00 0.00 0.00 42.46 39.43 2kfb s ILE 4 CO -0.16 0.00 -0.11 -0.89 -0.00 0.00 0.00 174.94 173.79 2kfb s THR 5 N -2.68 1.26 -0.14 8.37 2.01 0.12 -2.20 115.64 122.37 2kfb s THR 5 Ca 0.36 -0.44 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 2kfb s THR 5 Cb 0.07 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.33 2kfb s THR 5 CO 0.19 0.41 0.02 -0.76 -0.69 0.00 0.00 174.62 173.79 2kfb s LEU 6 N 1.57 3.63 -0.13 4.42 1.43 0.33 -0.90 118.68 129.03 2kfb s LEU 6 Ca 0.04 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 2kfb s LEU 6 Cb -0.13 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 2kfb s LEU 6 CO -0.09 0.25 -0.14 -0.31 0.23 0.00 0.00 176.35 176.29 2kfb s TYR 7 N -0.08 2.79 0.62 0.29 1.51 -1.08 -0.69 117.35 120.71 2kfb s TYR 7 Ca 0.05 -0.72 0.32 0.00 -1.01 0.00 0.00 57.07 55.70 2kfb s TYR 7 Cb -0.12 -1.84 1.77 0.00 -0.11 0.00 0.00 41.96 41.66 2kfb s TYR 7 CO 0.02 -0.26 2.08 1.49 -1.11 0.00 0.00 175.55 177.77 2kfb h GLU 8 N 6.78 0.00 -6.09 -0.62 4.81 -0.41 -3.14 114.58 115.90 2kfb h GLU 8 Ca -0.26 0.00 -0.55 0.00 -0.13 0.00 0.00 59.36 58.42 2kfb h GLU 8 Cb 1.21 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 30.41 2kfb h GLU 8 CO 0.55 0.00 -0.79 -0.51 -0.73 0.00 0.00 179.01 177.53 2kfb s ASP 9 N -5.26 2.89 1.22 1.04 1.01 -1.23 -4.20 116.67 112.13 2kfb s ASP 9 Ca -0.04 -0.87 -0.11 0.00 0.71 0.00 0.00 52.55 52.23 2kfb s ASP 9 Cb 0.13 -0.18 0.17 0.00 1.01 0.00 0.00 42.92 44.05 2kfb s ASP 9 CO 0.45 0.00 0.39 -2.11 0.21 0.00 0.00 175.17 174.11 2kfb n ARG 10 N 0.24 -3.29 -2.30 8.23 1.85 -1.26 -2.39 116.66 117.74 2kfb n ARG 10 Ca -0.13 -0.66 -0.03 0.00 -1.00 0.00 0.00 57.85 56.04 2kfb n ARG 10 Cb 0.57 -0.86 -0.00 0.00 -1.05 0.00 0.00 32.46 31.12 2kfb n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kfb n GLY 11 N -2.61 -0.40 3.51 2.89 0.00 -0.91 -0.99 105.19 106.69 2kfb n GLY 11 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 2kfb n GLY 11 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kfb n PHE 12 N -2.48 -2.33 -3.08 1.61 3.72 -1.22 -5.00 117.46 108.68 2kfb n PHE 12 Ca -0.03 0.83 0.00 0.00 -0.05 0.00 0.00 57.45 58.20 2kfb n PHE 12 Cb 0.46 -3.41 0.00 0.00 -0.94 0.00 0.00 39.48 35.59 2kfb n PHE 12 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2kfb n GLN 13 N -2.77 2.27 0.00 -1.08 6.02 -0.16 -5.04 117.38 116.63 2kfb n GLN 13 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2kfb n GLN 13 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 2kfb n GLN 13 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kfb n GLY 14 N 2.96 0.85 3.77 1.08 0.00 -1.26 -3.49 105.19 109.10 2kfb n GLY 14 Ca 0.00 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 45.02 2kfb n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfb s ARG 15 N 0.00 3.44 0.02 1.61 0.52 -1.26 -4.79 118.95 118.50 2kfb s ARG 15 Ca 0.00 1.68 0.02 0.00 -0.52 0.00 0.00 55.73 56.91 2kfb s ARG 15 Cb 0.00 -2.11 -0.02 0.00 0.52 0.00 0.00 34.95 33.34 2kfb s ARG 15 CO 0.00 -0.79 -0.07 -3.38 0.02 0.00 0.00 175.30 171.07 2kfb s HIS 16 N -1.69 0.65 -0.01 -0.53 -3.43 -1.26 0.14 115.29 109.16 2kfb s HIS 16 Ca 0.71 -0.33 -0.01 0.00 -0.80 0.00 0.00 55.06 54.63 2kfb s HIS 16 Cb -0.26 -0.39 -0.00 0.00 -1.43 0.00 0.00 32.58 30.50 2kfb s HIS 16 CO 0.30 -0.04 0.03 -0.47 -2.00 0.00 0.00 174.74 172.55 2kfb s TYR 17 N -0.84 0.01 -0.22 0.38 5.04 0.13 -4.99 117.35 116.87 2kfb s TYR 17 Ca -0.04 -0.02 -0.04 0.00 -2.44 0.00 0.00 57.07 54.52 2kfb s TYR 17 Cb -0.07 -0.02 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 2kfb s TYR 17 CO 0.00 -0.05 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.14 2kfb s GLU 18 N -0.27 3.46 -0.19 4.97 2.12 -1.26 -0.51 118.70 127.02 2kfb s GLU 18 Ca -0.03 -0.59 -0.05 0.00 0.36 0.00 0.00 54.97 54.66 2kfb s GLU 18 Cb -0.02 -3.06 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 2kfb s GLU 18 CO -0.00 -0.16 0.00 0.00 -0.54 0.00 0.00 175.26 174.56 2kfb n SER 20 N 4.00 2.36 -3.80 0.00 7.64 -1.26 -2.72 113.62 119.83 2kfb n SER 20 Ca -0.17 -2.24 -0.09 0.00 1.01 0.00 0.00 58.87 57.38 2kfb n SER 20 Cb 0.52 -0.15 -0.03 0.00 -1.01 0.00 0.00 64.21 63.54 2kfb n SER 20 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2kfb s SER 21 N -1.36 -0.26 0.43 6.43 1.04 -1.26 -4.75 113.70 113.97 2kfb s SER 21 Ca 0.12 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 2kfb s SER 21 Cb 0.09 0.64 -0.09 0.00 0.10 0.00 0.00 66.02 66.75 2kfb s SER 21 CO 0.04 -1.17 1.34 -0.90 0.98 0.00 0.00 173.24 173.54 2kfb n ASP 22 N -0.39 2.91 -4.00 7.02 5.75 -1.26 -4.67 116.55 121.91 2kfb n ASP 22 Ca -0.07 1.12 -0.12 0.00 -0.01 0.00 0.00 54.79 55.71 2kfb n ASP 22 Cb 0.61 -1.55 -0.12 0.00 -1.03 0.00 0.00 41.12 39.04 2kfb n ASP 22 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2kfb s HIS 23 N -1.19 0.43 -0.09 2.11 3.76 0.11 -4.98 115.29 115.43 2kfb s HIS 23 Ca 0.61 -0.38 0.05 0.00 -0.15 0.00 0.00 55.06 55.19 2kfb s HIS 23 Cb -0.48 -0.27 -0.07 0.00 1.11 0.00 0.00 32.58 32.87 2kfb s HIS 23 CO 0.58 -0.09 0.14 0.25 -0.85 0.00 0.00 174.74 174.77 2kfb n THR 24 N 1.94 0.00 -3.38 1.30 -2.24 -1.26 -2.40 114.28 108.24 2kfb n THR 24 Ca -0.20 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2kfb n THR 24 Cb 0.56 0.61 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 2kfb n THR 24 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2kfb s ASN 25 N -2.16 0.44 0.00 3.42 2.47 -1.23 -1.75 114.94 116.13 2kfb s ASN 25 Ca -0.00 0.15 0.14 0.00 0.42 0.00 0.00 52.86 53.56 2kfb s ASN 25 Cb 0.03 0.99 0.17 0.00 -1.45 0.00 0.00 41.25 40.99 2kfb s ASN 25 CO 0.20 -0.30 1.03 0.18 -3.72 0.00 0.00 177.10 174.49 2kfb n LEU 26 N 5.36 2.39 -0.33 3.21 4.77 0.13 -4.58 117.00 127.95 2kfb n LEU 26 Ca -0.04 -1.24 0.02 0.00 -0.03 0.00 0.00 56.01 54.72 2kfb n LEU 26 Cb 0.50 -0.07 0.16 0.00 -2.33 0.00 0.00 43.42 41.68 2kfb n LEU 26 CO 0.06 0.49 1.22 1.56 -1.33 0.00 0.00 177.39 179.39 2kfb h GLN 27 N 2.68 1.00 -0.68 3.23 4.20 -1.72 1.03 115.11 124.86 2kfb h GLN 27 Ca 0.00 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.67 2kfb h GLN 27 Cb 0.63 -0.23 -0.04 0.00 0.30 0.00 0.00 27.48 28.15 2kfb h GLN 27 CO 0.00 0.66 0.45 -1.35 -0.67 0.00 0.00 178.83 177.92 2kfb h PRO 28 N 1.03 0.83 0.02 1.46 0.11 -1.96 -3.26 132.00 130.24 2kfb h PRO 28 Ca 0.41 -0.05 -0.34 0.00 0.11 0.00 0.00 66.00 66.12 2kfb h PRO 28 Cb 0.20 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 31.08 2kfb h PRO 28 CO -0.18 0.55 -1.91 0.66 -0.21 0.00 0.00 178.00 176.90 2kfb n TYR 29 N -4.45 0.63 -4.97 0.65 4.01 -0.71 -4.93 117.16 107.39 2kfb n TYR 29 Ca 0.08 0.23 -0.32 0.00 -0.16 0.00 0.00 57.90 57.73 2kfb n TYR 29 Cb 0.09 -1.07 -0.17 0.00 -0.31 0.00 0.00 39.34 37.88 2kfb n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2kfb s LEU 30 N -7.50 2.09 0.00 7.72 1.43 0.35 -4.90 118.68 117.88 2kfb s LEU 30 Ca -0.32 -0.58 0.25 0.00 -1.03 0.00 0.00 54.13 52.46 2kfb s LEU 30 Cb 0.09 -1.42 0.58 0.00 0.03 0.00 0.00 46.19 45.47 2kfb s LEU 30 CO 0.59 0.12 1.46 -0.24 0.23 0.00 0.00 176.35 178.51 2kfb n SER 31 N 3.77 0.92 0.00 2.29 2.88 -1.26 -3.53 113.62 118.69 2kfb n SER 31 Ca -0.19 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 2kfb n SER 31 Cb 0.52 0.23 0.00 0.00 -0.75 0.00 0.00 64.21 64.22 2kfb n SER 31 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kfb n ARG 32 N -0.92 0.00 -3.54 -1.46 5.12 -1.26 -4.91 116.66 109.69 2kfb n ARG 32 Ca 0.09 0.00 -0.41 0.00 -1.93 0.00 0.00 57.85 55.60 2kfb n ARG 32 Cb 0.35 0.00 -0.11 0.00 -1.16 0.00 0.00 32.46 31.54 2kfb n ARG 32 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kfb n ASN 34 N 5.07 1.77 -3.55 0.00 5.03 -1.19 -4.59 115.26 117.81 2kfb n ASN 34 Ca -0.12 -1.38 -0.14 0.00 0.87 0.00 0.00 54.58 53.81 2kfb n ASN 34 Cb 0.47 0.37 -0.05 0.00 -1.02 0.00 0.00 39.78 39.56 2kfb n ASN 34 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2kfb s SER 35 N -1.77 -0.47 0.05 6.41 0.15 -1.25 -0.35 113.70 116.47 2kfb s SER 35 Ca 0.14 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.77 2kfb s SER 35 Cb 0.13 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.99 2kfb s SER 35 CO 0.36 -0.76 0.41 0.00 1.20 0.00 0.00 173.24 174.44 2kfb s ALA 36 N -2.66 -0.98 -0.08 5.45 0.00 0.72 -2.63 121.76 121.56 2kfb s ALA 36 Ca -0.04 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.17 2kfb s ALA 36 Cb -0.00 0.38 0.02 0.00 0.00 0.00 0.00 23.12 23.52 2kfb s ALA 36 CO -0.03 -0.47 -0.04 1.03 0.00 0.00 0.00 175.76 176.24 2kfb s ARG 37 N -2.61 1.05 -0.28 0.00 0.52 -0.08 0.16 118.95 117.71 2kfb s ARG 37 Ca -0.04 -0.09 -0.07 0.00 -0.52 0.00 0.00 55.73 55.01 2kfb s ARG 37 Cb -0.01 -1.21 -0.00 0.00 0.52 0.00 0.00 34.95 34.26 2kfb s ARG 37 CO -0.03 -0.24 0.08 0.08 0.02 0.00 0.00 175.30 175.21 2kfb s VAL 38 N 1.64 4.07 -0.01 3.52 1.01 0.38 0.13 120.40 131.14 2kfb s VAL 38 Ca 0.01 -0.54 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2kfb s VAL 38 Cb -0.13 -3.04 -0.26 0.00 0.00 0.00 0.00 36.38 32.95 2kfb s VAL 38 CO -0.05 0.15 1.04 -0.78 0.00 0.00 0.00 175.10 175.46 2kfb h ASP 39 N 8.24 0.54 -4.84 3.32 3.58 -1.69 0.11 116.42 125.69 2kfb h ASP 39 Ca -0.34 -0.83 -0.02 0.00 0.42 0.00 0.00 57.03 56.27 2kfb h ASP 39 Cb 1.14 -0.17 -0.18 0.00 1.72 0.00 0.00 39.33 41.84 2kfb h ASP 39 CO 0.60 1.31 0.27 -0.55 -2.88 0.00 0.00 179.24 177.99 2kfb s SER 40 N -6.88 -0.57 0.00 2.28 0.15 -1.26 -4.77 113.70 102.65 2kfb s SER 40 Ca -0.13 0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2kfb s SER 40 Cb 0.03 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 2kfb s SER 40 CO 0.83 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2kfb n GLY 41 N 0.53 -0.74 3.51 9.45 0.00 -1.26 -2.75 105.19 113.93 2kfb n GLY 41 Ca -0.16 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 2kfb n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfb s TRP 43 N -0.72 1.39 -0.19 0.00 0.52 -0.86 -2.58 118.94 116.51 2kfb s TRP 43 Ca 0.11 -0.29 -0.05 0.00 0.02 0.00 0.00 56.10 55.88 2kfb s TRP 43 Cb -0.11 -0.91 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 2kfb s TRP 43 CO 0.01 -0.05 0.01 1.41 0.02 0.00 0.00 176.95 178.34 2kfb s MET 44 N -0.25 3.72 -0.16 4.98 1.75 -0.29 -1.66 119.30 127.39 2kfb s MET 44 Ca 0.04 -0.48 -0.04 0.00 -1.25 0.00 0.00 55.69 53.96 2kfb s MET 44 Cb -0.07 -3.07 -0.03 0.00 2.84 0.00 0.00 34.83 34.50 2kfb s MET 44 CO -0.00 0.13 -0.03 -0.51 -0.65 0.00 0.00 175.02 173.96 2kfb s LEU 45 N 0.70 3.29 -0.13 4.11 1.02 -1.07 -0.48 118.68 126.13 2kfb s LEU 45 Ca 0.00 -0.11 -0.01 0.00 0.02 0.00 0.00 54.13 54.03 2kfb s LEU 45 Cb -0.14 -1.80 -0.02 0.00 0.02 0.00 0.00 46.19 44.25 2kfb s LEU 45 CO 0.02 0.17 -0.10 -0.31 0.02 0.00 0.00 176.35 176.15 2kfb s TYR 46 N 0.37 2.88 0.38 0.29 1.51 -0.65 -1.50 117.35 120.63 2kfb s TYR 46 Ca -0.04 -0.44 0.06 0.00 -1.01 0.00 0.00 57.07 55.64 2kfb s TYR 46 Cb -0.14 -1.85 0.77 0.00 -0.11 0.00 0.00 41.96 40.63 2kfb s TYR 46 CO 0.03 -0.08 2.01 1.05 -1.11 0.00 0.00 175.55 177.45 2kfb h GLU 47 N 6.46 0.68 -6.28 -0.62 4.11 -1.50 -2.77 114.58 114.66 2kfb h GLU 47 Ca -0.31 -0.04 -0.60 0.00 0.07 0.00 0.00 59.36 58.48 2kfb h GLU 47 Cb 1.20 -0.15 -0.10 0.00 0.50 0.00 0.00 28.75 30.20 2kfb h GLU 47 CO 0.57 0.45 -0.62 -0.65 0.07 0.00 0.00 179.01 178.83 2kfb s GLN 48 N -5.62 2.62 0.81 1.06 -0.21 -0.81 -3.53 119.66 113.98 2kfb s GLN 48 Ca -0.09 -0.98 -0.11 0.00 0.02 0.00 0.00 55.36 54.19 2kfb s GLN 48 Cb 0.18 -2.49 0.08 0.00 1.00 0.00 0.00 33.01 31.78 2kfb s GLN 48 CO 0.76 0.48 1.12 -1.25 -2.12 0.00 0.00 175.29 174.27 2kfb s PRO 49 N -2.93 1.87 -1.12 2.91 0.04 -1.26 -2.99 135.00 131.52 2kfb s PRO 49 Ca 0.29 1.36 -0.05 0.00 0.04 0.00 0.00 61.00 62.64 2kfb s PRO 49 Cb -0.10 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2kfb s PRO 49 CO 0.20 -1.96 0.96 0.09 0.04 0.00 0.00 177.00 176.33 2kfb n ASN 50 N -3.61 -4.53 -3.58 6.66 5.03 -0.72 -3.60 115.26 110.92 2kfb n ASN 50 Ca 0.10 -0.48 -0.23 0.00 0.87 0.00 0.00 54.58 54.84 2kfb n ASN 50 Cb 0.52 -4.40 0.01 0.00 -1.02 0.00 0.00 39.78 34.90 2kfb n ASN 50 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2kfb n TYR 51 N -4.33 -2.40 -4.03 3.10 4.01 -1.25 -4.99 117.16 107.27 2kfb n TYR 51 Ca -0.08 0.98 -0.08 0.00 -0.16 0.00 0.00 57.90 58.56 2kfb n TYR 51 Cb 0.58 -2.81 -0.10 0.00 -0.31 0.00 0.00 39.34 36.70 2kfb n TYR 51 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2kfb s SER 52 N -2.64 0.37 0.00 7.72 0.01 -1.16 -5.06 113.70 112.94 2kfb s SER 52 Ca 0.10 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2kfb s SER 52 Cb -0.01 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2kfb s SER 52 CO 0.87 -0.55 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2kfb n GLY 53 N 0.41 -0.02 3.78 3.44 0.00 -1.26 -1.92 105.19 109.62 2kfb n GLY 53 Ca -0.16 -1.28 -0.37 0.00 0.00 0.00 0.00 46.02 44.20 2kfb n GLY 53 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kfb s LEU 54 N 0.00 4.36 0.14 0.99 2.96 -1.26 -4.88 118.68 120.98 2kfb s LEU 54 Ca 0.00 1.86 0.11 0.00 -0.22 0.00 0.00 54.13 55.88 2kfb s LEU 54 Cb 0.00 -3.98 -0.04 0.00 0.50 0.00 0.00 46.19 42.67 2kfb s LEU 54 CO 0.00 -0.07 -0.26 0.00 -1.32 0.00 0.00 176.35 174.71 2kfb s GLN 55 N -1.99 1.38 -0.10 1.98 -2.07 -1.26 -2.03 119.66 115.57 2kfb s GLN 55 Ca 0.50 -1.35 0.02 0.00 -1.82 0.00 0.00 55.36 52.70 2kfb s GLN 55 Cb -0.20 -1.82 0.02 0.00 -1.09 0.00 0.00 33.01 29.92 2kfb s GLN 55 CO 0.25 0.42 -0.14 0.71 -1.32 0.00 0.00 175.29 175.22 2kfb s TYR 56 N -1.18 1.77 -0.18 9.60 2.02 -0.56 -4.66 117.35 124.16 2kfb s TYR 56 Ca 0.14 -0.79 -0.27 0.00 -0.37 0.00 0.00 57.07 55.79 2kfb s TYR 56 Cb -0.10 -1.30 -0.01 0.00 -0.40 0.00 0.00 41.96 40.16 2kfb s TYR 56 CO 0.06 -0.42 0.90 0.12 -1.57 0.00 0.00 175.55 174.64 2kfb s PHE 57 N 0.96 3.40 0.07 2.71 5.36 -1.26 -2.58 117.98 126.64 2kfb s PHE 57 Ca -0.08 1.33 0.09 0.00 -0.96 0.00 0.00 56.93 57.32 2kfb s PHE 57 Cb -0.15 -3.09 -0.03 0.00 -0.34 0.00 0.00 43.02 39.40 2kfb s PHE 57 CO -0.00 -0.30 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.69 2kfb s LEU 58 N 2.42 2.21 0.11 6.12 1.02 -0.67 -4.91 118.68 124.99 2kfb s LEU 58 Ca 0.40 -0.62 0.03 0.00 0.02 0.00 0.00 54.13 53.96 2kfb s LEU 58 Cb -0.16 -1.19 -0.04 0.00 0.02 0.00 0.00 46.19 44.82 2kfb s LEU 58 CO 0.11 0.21 -0.08 -0.13 0.02 0.00 0.00 176.35 176.48 2kfb s ARG 59 N -1.48 0.90 -0.16 1.70 0.52 -1.26 -2.02 118.95 117.15 2kfb s ARG 59 Ca 0.11 -1.34 -0.32 0.00 -0.52 0.00 0.00 55.73 53.66 2kfb s ARG 59 Cb -0.10 -0.38 -0.15 0.00 0.52 0.00 0.00 34.95 34.84 2kfb s ARG 59 CO 0.03 0.03 0.98 2.89 0.02 0.00 0.00 175.30 179.25 2kfb n ARG 60 N 0.02 0.00 -3.31 3.54 1.85 -1.21 -4.71 116.66 112.83 2kfb n ARG 60 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2kfb n ARG 60 Cb 0.60 -1.13 0.00 0.00 -1.05 0.00 0.00 32.46 30.88 2kfb n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2kfb n GLY 61 N 1.95 -2.10 3.28 2.89 0.00 0.40 -4.96 105.19 106.65 2kfb n GLY 61 Ca 0.19 -1.42 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 2kfb n GLY 61 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kfb s ASP 62 N -0.55 3.65 -0.22 1.61 -4.77 -1.26 -0.47 116.67 114.66 2kfb s ASP 62 Ca 0.00 -0.45 0.02 0.00 -3.30 0.00 0.00 52.55 48.81 2kfb s ASP 62 Cb 0.00 -1.55 0.04 0.00 -1.09 0.00 0.00 42.92 40.32 2kfb s ASP 62 CO 0.00 0.11 -0.13 -0.31 0.70 0.00 0.00 175.17 175.54 2kfb s TYR 63 N 0.65 2.87 -2.20 2.11 2.02 0.12 -4.97 117.35 117.95 2kfb s TYR 63 Ca -0.08 -1.92 0.26 0.00 -0.37 0.00 0.00 57.07 54.95 2kfb s TYR 63 Cb -0.16 -1.83 0.61 0.00 -0.40 0.00 0.00 41.96 40.18 2kfb s TYR 63 CO 0.02 -0.82 1.48 0.00 -1.57 0.00 0.00 175.55 174.66 2kfb n ALA 64 N 4.56 2.94 -3.17 3.71 0.00 -1.26 -0.20 120.51 127.08 2kfb n ALA 64 Ca -0.16 -0.50 -0.13 0.00 0.00 0.00 0.00 53.44 52.65 2kfb n ALA 64 Cb 0.45 -1.03 -0.11 0.00 0.00 0.00 0.00 19.45 18.77 2kfb n ALA 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kfb s ASP 65 N -2.28 -0.28 0.19 0.00 1.01 -1.21 -2.14 116.67 111.96 2kfb s ASP 65 Ca 0.28 0.53 -0.10 0.00 0.71 0.00 0.00 52.55 53.96 2kfb s ASP 65 Cb 0.20 0.56 0.12 0.00 1.01 0.00 0.00 42.92 44.81 2kfb s ASP 65 CO 0.45 -0.12 1.79 1.12 0.21 0.00 0.00 175.17 178.61 2kfb h HIS 66 N 5.56 0.99 0.00 4.23 2.07 -1.00 -1.25 115.15 125.75 2kfb h HIS 66 Ca -0.26 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.22 2kfb h HIS 66 Cb 1.19 -0.31 0.00 0.00 2.57 0.00 0.00 27.41 30.86 2kfb h HIS 66 CO 0.41 0.72 0.17 1.04 -3.07 0.00 0.00 177.93 177.21 2kfb n GLN 67 N -4.46 0.00 0.07 5.12 6.02 -1.26 -0.56 117.38 122.31 2kfb n GLN 67 Ca 0.06 0.26 -0.17 0.00 -0.01 0.00 0.00 57.00 57.13 2kfb n GLN 67 Cb 0.12 -1.67 -0.14 0.00 1.02 0.00 0.00 30.24 29.57 2kfb n GLN 67 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2kfb h GLN 68 N 0.00 0.27 -0.62 -1.09 1.08 -1.55 -3.29 115.11 109.91 2kfb h GLN 68 Ca 0.00 -0.47 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 2kfb h GLN 68 Cb 0.34 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2kfb h GLN 68 CO 0.00 1.15 0.00 -2.67 -0.95 0.00 0.00 178.83 176.36 2kfb n TRP 69 N -3.48 0.90 -0.80 2.96 2.14 0.27 -4.82 117.44 114.61 2kfb n TRP 69 Ca -0.16 -0.35 0.00 0.00 2.07 0.00 0.00 57.50 59.07 2kfb n TRP 69 Cb 1.05 -0.19 0.00 0.00 -0.81 0.00 0.00 31.31 31.35 2kfb n TRP 69 CO 0.00 0.00 0.00 -1.33 2.07 0.00 0.00 177.69 178.43 2kfb n MET 70 N 0.48 0.00 -1.55 -2.67 2.81 -1.21 -4.42 117.12 110.57 2kfb n MET 70 Ca 0.15 0.17 -0.36 0.00 -1.81 0.00 0.00 57.70 55.84 2kfb n MET 70 Cb 0.60 -2.74 -0.04 0.00 -0.71 0.00 0.00 33.22 30.33 2kfb n MET 70 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfb n GLY 71 N -2.80 0.15 0.09 3.03 0.00 -0.61 -4.75 105.19 100.31 2kfb n GLY 71 Ca 0.00 0.68 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 2kfb n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kfb h LEU 72 N 19.17 0.30 -7.51 0.99 3.38 -1.93 -3.35 115.31 126.36 2kfb h LEU 72 Ca -0.23 -0.31 -0.43 0.00 0.09 0.00 0.00 57.88 57.00 2kfb h LEU 72 Cb 1.27 -0.10 -0.37 0.00 0.09 0.00 0.00 40.66 41.55 2kfb h LEU 72 CO 1.17 1.23 -0.77 -0.55 0.09 0.00 0.00 178.44 179.62 2kfb s SER 73 N -7.01 1.43 0.00 -0.43 0.15 -1.26 -5.10 113.70 101.49 2kfb s SER 73 Ca -0.02 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.54 2kfb s SER 73 Cb 0.08 -0.42 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 2kfb s SER 73 CO 0.86 -0.17 0.00 -0.90 1.20 0.00 0.00 173.24 174.23 2kfb n ASP 74 N 4.97 0.00 0.00 5.45 5.75 -1.26 -4.47 116.55 126.99 2kfb n ASP 74 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.68 2kfb n ASP 74 Cb 0.50 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.59 2kfb n ASP 74 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2kfb n SER 75 N 0.00 0.00 -0.72 -1.12 2.88 -1.26 -4.84 113.62 108.57 2kfb n SER 75 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kfb n SER 75 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kfb n SER 75 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2kfb n VAL 76 N 0.00 -0.23 0.25 2.46 0.31 -1.25 -4.30 118.33 115.57 2kfb n VAL 76 Ca 0.00 0.04 0.09 0.00 -0.01 0.00 0.00 64.34 64.47 2kfb n VAL 76 Cb 0.00 -0.39 0.17 0.00 -0.91 0.00 0.00 33.84 32.71 2kfb n VAL 76 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kfb n ARG 77 N 0.82 2.18 -3.55 5.55 1.74 -1.05 -4.60 116.66 117.76 2kfb n ARG 77 Ca 0.00 -2.01 -0.09 0.00 -0.77 0.00 0.00 57.85 54.97 2kfb n ARG 77 Cb 0.04 -1.40 -0.02 0.00 -1.02 0.00 0.00 32.46 30.06 2kfb n ARG 77 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2kfb s SER 78 N -1.28 -0.41 -0.07 0.55 1.04 -1.22 0.20 113.70 112.51 2kfb s SER 78 Ca 0.30 -0.13 -0.26 0.00 0.48 0.00 0.00 55.95 56.34 2kfb s SER 78 Cb 0.18 0.53 0.06 0.00 0.10 0.00 0.00 66.02 66.89 2kfb s SER 78 CO 0.25 -0.90 0.60 0.00 0.98 0.00 0.00 173.24 174.17 2kfb s ARG 80 N -0.98 0.97 -0.20 0.00 1.70 0.37 0.07 118.95 120.88 2kfb s ARG 80 Ca -0.10 -1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 54.00 2kfb s ARG 80 Cb -0.02 -1.10 -0.05 0.00 -0.57 0.00 0.00 34.95 33.21 2kfb s ARG 80 CO 0.07 0.25 0.17 -1.17 -1.08 0.00 0.00 175.30 173.55 2kfb s LEU 81 N -1.80 4.20 -0.36 -1.89 2.96 -1.26 -1.14 118.68 119.38 2kfb s LEU 81 Ca 0.02 0.27 -0.20 0.00 -0.22 0.00 0.00 54.13 54.00 2kfb s LEU 81 Cb -0.10 -2.16 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2kfb s LEU 81 CO 0.03 0.14 0.64 -0.63 -1.32 0.00 0.00 176.35 175.21 2kfb s ILE 82 N 0.52 4.88 0.58 6.68 1.01 -1.06 -4.87 121.20 128.94 2kfb s ILE 82 Ca 0.10 0.54 -0.18 0.00 0.00 0.00 0.00 60.65 61.10 2kfb s ILE 82 Cb -0.12 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.19 2kfb s ILE 82 CO 0.00 -0.35 0.76 -2.65 0.00 0.00 0.00 174.94 172.71 2kfb n PRO 83 N 6.08 0.72 -0.95 2.79 -0.02 -1.26 -4.34 135.00 138.01 2kfb n PRO 83 Ca -0.01 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.45 2kfb n PRO 83 Cb 0.48 -1.94 0.25 0.00 -0.02 0.00 0.00 33.50 32.28 2kfb n PRO 83 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2kfb n HIS 84 N -1.69 -3.89 -3.51 6.00 8.25 -1.26 -4.82 115.22 114.31 2kfb n HIS 84 Ca 0.13 -0.97 -0.17 0.00 -0.26 0.00 0.00 57.72 56.45 2kfb n HIS 84 Cb 0.47 -1.15 -0.05 0.00 1.12 0.00 0.00 29.99 30.38 2kfb n HIS 84 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kfb s SER 85 N -4.30 -0.63 0.00 0.41 0.01 -1.26 -4.86 113.70 103.07 2kfb s SER 85 Ca 0.70 0.60 0.00 0.00 1.31 0.00 0.00 55.95 58.57 2kfb s SER 85 Cb -0.07 0.54 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2kfb s SER 85 CO 0.54 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 174.16 2kfb n GLY 86 N 0.72 0.46 3.89 3.44 0.00 -1.26 -4.99 105.19 107.46 2kfb n GLY 86 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2kfb n GLY 86 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 87 N -1.07 6.30 -0.12 1.61 0.01 -1.26 -5.06 113.70 114.12 2kfb s SER 87 Ca 0.00 1.06 -0.00 0.00 1.31 0.00 0.00 55.95 58.32 2kfb s SER 87 Cb 0.00 -2.31 0.03 0.00 0.21 0.00 0.00 66.02 63.95 2kfb s SER 87 CO 0.00 -0.60 -0.07 -1.00 0.41 0.00 0.00 173.24 171.98 2kfb s HIS 88 N -2.76 1.47 -0.12 2.43 0.09 -1.26 -4.04 115.29 111.10 2kfb s HIS 88 Ca 0.50 -0.76 -0.08 0.00 -0.00 0.00 0.00 55.06 54.72 2kfb s HIS 88 Cb -0.10 -1.22 0.04 0.00 -0.00 0.00 0.00 32.58 31.29 2kfb s HIS 88 CO 0.44 -0.52 0.29 -0.98 -0.00 0.00 0.00 174.74 173.97 2kfb s ARG 89 N 1.71 0.28 -0.04 1.40 1.70 -1.25 -4.39 118.95 118.37 2kfb s ARG 89 Ca 0.04 0.52 -0.11 0.00 -0.47 0.00 0.00 55.73 55.71 2kfb s ARG 89 Cb -0.13 0.00 0.02 0.00 -0.57 0.00 0.00 34.95 34.27 2kfb s ARG 89 CO -0.08 -0.12 0.25 -1.50 -1.08 0.00 0.00 175.30 172.77 2kfb s ILE 90 N 0.87 0.05 -0.29 4.99 2.07 -1.08 -2.80 121.20 125.01 2kfb s ILE 90 Ca -0.06 -0.39 0.01 0.00 -1.41 0.00 0.00 60.65 58.80 2kfb s ILE 90 Cb -0.07 -0.49 0.09 0.00 0.13 0.00 0.00 42.46 42.12 2kfb s ILE 90 CO -0.06 -0.22 0.03 -0.13 -1.91 0.00 0.00 174.94 172.65 2kfb s ARG 91 N -0.90 1.30 0.30 3.50 0.52 0.05 -1.82 118.95 121.90 2kfb s ARG 91 Ca -0.10 -1.31 -0.15 0.00 -0.52 0.00 0.00 55.73 53.65 2kfb s ARG 91 Cb -0.05 -2.61 -0.09 0.00 0.52 0.00 0.00 34.95 32.72 2kfb s ARG 91 CO 0.02 -0.83 0.72 -0.51 0.02 0.00 0.00 175.30 174.72 2kfb s LEU 92 N 1.30 4.12 -0.02 2.53 1.43 -0.69 -0.47 118.68 126.88 2kfb s LEU 92 Ca 0.04 1.27 0.06 0.00 -1.03 0.00 0.00 54.13 54.47 2kfb s LEU 92 Cb -0.18 -3.97 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 2kfb s LEU 92 CO -0.13 -0.16 -0.19 -0.31 0.23 0.00 0.00 176.35 175.80 2kfb s TYR 93 N -1.90 1.71 0.09 0.29 2.02 0.11 -2.22 117.35 117.46 2kfb s TYR 93 Ca 0.52 -0.36 -0.29 0.00 -0.37 0.00 0.00 57.07 56.56 2kfb s TYR 93 Cb -0.11 -1.12 -0.13 0.00 -0.40 0.00 0.00 41.96 40.20 2kfb s TYR 93 CO 0.18 -0.06 1.64 0.93 -1.57 0.00 0.00 175.55 176.67 2kfb h GLU 94 N 5.80 -0.60 -6.02 -0.62 4.39 -1.74 -2.72 114.58 113.07 2kfb h GLU 94 Ca -0.37 0.04 -0.54 0.00 0.34 0.00 0.00 59.36 58.83 2kfb h GLU 94 Cb 1.15 0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 29.89 2kfb h GLU 94 CO 0.48 -0.40 -0.38 1.03 -1.16 0.00 0.00 179.01 178.59 2kfb s ARG 95 N -6.05 2.35 0.98 2.33 0.52 -1.26 -2.60 118.95 115.22 2kfb s ARG 95 Ca -0.16 -1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 53.14 2kfb s ARG 95 Cb 0.06 -2.18 0.18 0.00 0.52 0.00 0.00 34.95 33.53 2kfb s ARG 95 CO 0.64 -0.34 1.09 -1.21 0.02 0.00 0.00 175.30 175.50 2kfb s GLU 96 N -4.13 0.54 -0.34 3.54 2.02 -1.24 -2.96 118.70 116.12 2kfb s GLU 96 Ca 0.41 1.09 0.00 0.00 0.02 0.00 0.00 54.97 56.50 2kfb s GLU 96 Cb -0.01 -1.71 0.00 0.00 0.10 0.00 0.00 34.13 32.51 2kfb s GLU 96 CO 0.24 -2.81 0.00 -0.25 0.02 0.00 0.00 175.26 172.46 2kfb n ASP 97 N -4.31 -1.42 -1.90 -0.19 8.00 -1.11 0.12 116.55 115.74 2kfb n ASP 97 Ca 0.07 0.26 -0.17 0.00 0.71 0.00 0.00 54.79 55.66 2kfb n ASP 97 Cb 0.54 -1.47 -0.02 0.00 -0.02 0.00 0.00 41.12 40.15 2kfb n ASP 97 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2kfb n TYR 98 N -2.03 -0.71 0.62 1.24 4.01 -1.16 -4.84 117.16 114.30 2kfb n TYR 98 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 2kfb n TYR 98 Cb 0.33 -3.42 0.00 0.00 -0.31 0.00 0.00 39.34 35.95 2kfb n TYR 98 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kfb n ARG 99 N -2.65 0.62 -2.49 -0.72 5.12 0.33 -4.73 116.66 112.14 2kfb n ARG 99 Ca -0.20 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.66 2kfb n ARG 99 Cb 0.65 -1.29 -0.01 0.00 -1.16 0.00 0.00 32.46 30.64 2kfb n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kfb n GLY 100 N 0.26 2.71 3.58 -0.13 0.00 -1.26 -4.74 105.19 105.60 2kfb n GLY 100 Ca 0.00 -1.46 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 2kfb n GLY 100 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kfb n GLN 101 N -0.22 0.08 -4.45 1.61 -0.06 -1.26 -4.65 117.38 108.42 2kfb n GLN 101 Ca 0.00 0.09 -0.23 0.00 -2.00 0.00 0.00 57.00 54.87 2kfb n GLN 101 Cb 0.23 -2.17 -0.13 0.00 -4.06 0.00 0.00 30.24 24.10 2kfb n GLN 101 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2kfb s MET 102 N -3.72 1.13 -0.02 3.69 0.23 -1.26 -2.63 119.30 116.71 2kfb s MET 102 Ca 0.68 -0.88 -0.02 0.00 -1.03 0.00 0.00 55.69 54.43 2kfb s MET 102 Cb -0.29 -1.21 0.01 0.00 -1.53 0.00 0.00 34.83 31.81 2kfb s MET 102 CO 0.56 0.30 0.06 -1.50 -2.03 0.00 0.00 175.02 172.41 2kfb s ILE 103 N -0.88 0.00 0.01 3.16 2.07 -0.94 -5.01 121.20 119.61 2kfb s ILE 103 Ca 0.04 -0.04 0.05 0.00 -1.41 0.00 0.00 60.65 59.29 2kfb s ILE 103 Cb -0.09 -0.11 -0.03 0.00 0.13 0.00 0.00 42.46 42.36 2kfb s ILE 103 CO 0.02 -0.02 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.18 2kfb s GLU 104 N -0.04 2.31 0.11 3.50 2.12 -1.26 -1.70 118.70 123.74 2kfb s GLU 104 Ca -0.01 -0.84 0.05 0.00 0.36 0.00 0.00 54.97 54.53 2kfb s GLU 104 Cb -0.01 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.03 2kfb s GLU 104 CO 0.00 0.58 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.11 2kfb s PHE 105 N -0.89 1.30 0.00 5.30 0.08 -0.75 -5.00 117.98 118.01 2kfb s PHE 105 Ca 0.14 -0.57 0.00 0.00 0.12 0.00 0.00 56.93 56.63 2kfb s PHE 105 Cb -0.11 -0.69 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 2kfb s PHE 105 CO 0.05 0.10 0.47 0.25 -0.10 0.00 0.00 175.22 175.99 2kfb n THR 106 N 0.61 0.00 -2.75 0.64 -2.24 -1.26 -2.62 114.28 106.65 2kfb n THR 106 Ca -0.16 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.58 2kfb n THR 106 Cb 0.57 0.77 0.01 0.00 -2.10 0.00 0.00 70.33 69.58 2kfb n THR 106 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2kfb n GLU 107 N 0.00 0.54 0.00 -0.78 0.28 -1.26 -4.83 120.64 114.59 2kfb n GLU 107 Ca 0.00 -1.95 0.00 0.00 -0.16 0.00 0.00 57.16 55.05 2kfb n GLU 107 Cb 0.52 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 32.00 2kfb n GLU 107 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2kfb n ASP 108 N 2.81 0.00 -3.42 -1.84 5.68 -1.26 -4.92 116.55 113.59 2kfb n ASP 108 Ca 0.17 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 54.32 2kfb n ASP 108 Cb 0.57 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 2kfb n ASP 108 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2kfb h SER 110 N 8.25 0.00 -1.63 0.00 4.64 -1.91 -2.30 113.55 120.60 2kfb h SER 110 Ca -0.18 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.86 2kfb h SER 110 Cb 1.15 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.97 2kfb h SER 110 CO 0.28 0.00 -0.62 0.00 -0.87 0.00 0.00 176.83 175.62 2kfb h LEU 112 N 6.78 0.97 -0.01 0.00 5.85 -1.43 -2.23 115.31 125.25 2kfb h LEU 112 Ca 0.07 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kfb h LEU 112 Cb 1.09 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.87 2kfb h LEU 112 CO 0.16 0.76 0.43 0.00 -0.34 0.00 0.00 178.44 179.46 2kfb n GLN 113 N -4.45 0.00 0.02 1.25 3.00 -1.26 0.30 117.38 116.23 2kfb n GLN 113 Ca 0.08 0.10 0.05 0.00 -0.01 0.00 0.00 57.00 57.23 2kfb n GLN 113 Cb 0.06 -1.94 -0.11 0.00 0.00 0.00 0.00 30.24 28.26 2kfb n GLN 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2kfb n ASP 114 N -1.12 0.42 -0.08 1.08 -0.08 -0.84 -4.54 116.55 111.39 2kfb n ASP 114 Ca -0.00 0.17 -0.11 0.00 -1.51 0.00 0.00 54.79 53.34 2kfb n ASP 114 Cb 0.43 1.02 -0.08 0.00 2.34 0.00 0.00 41.12 44.84 2kfb n ASP 114 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kfb n ARG 115 N -2.59 0.61 -5.23 -0.67 5.12 0.88 -5.01 116.66 109.77 2kfb n ARG 115 Ca -0.09 0.08 -0.31 0.00 -1.93 0.00 0.00 57.85 55.60 2kfb n ARG 115 Cb 0.71 -1.34 -0.16 0.00 -1.16 0.00 0.00 32.46 30.52 2kfb n ARG 115 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 2kfb s PHE 116 N -2.33 2.42 0.00 -1.55 -0.71 0.04 -5.08 117.98 110.77 2kfb s PHE 116 Ca -0.20 -0.48 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2kfb s PHE 116 Cb 0.06 -1.55 0.00 0.00 -1.21 0.00 0.00 43.02 40.32 2kfb s PHE 116 CO 0.41 -0.06 0.32 0.54 -1.34 0.00 0.00 175.22 175.09 2kfb n ARG 117 N 2.58 0.00 -0.89 1.99 5.12 -1.26 -4.18 116.66 120.01 2kfb n ARG 117 Ca -0.17 0.32 -0.30 0.00 -1.93 0.00 0.00 57.85 55.77 2kfb n ARG 117 Cb 0.51 -1.01 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 2kfb n ARG 117 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2kfb n PHE 118 N -1.45 -0.83 0.09 -1.55 3.72 -1.26 -4.85 117.46 111.33 2kfb n PHE 118 Ca 0.00 0.53 0.10 0.00 -0.05 0.00 0.00 57.45 58.03 2kfb n PHE 118 Cb 0.00 -1.24 0.21 0.00 -0.94 0.00 0.00 39.48 37.51 2kfb n PHE 118 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kfb n ASN 119 N 1.43 3.34 -3.94 4.37 4.05 -1.26 -4.93 115.26 118.33 2kfb n ASN 119 Ca 0.10 -1.95 -0.14 0.00 0.45 0.00 0.00 54.58 53.04 2kfb n ASN 119 Cb 0.21 -0.27 -0.14 0.00 1.23 0.00 0.00 39.78 40.81 2kfb n ASN 119 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2kfb s GLU 120 N -1.24 0.28 -0.20 1.20 2.02 -1.26 -2.67 118.70 116.82 2kfb s GLU 120 Ca 0.36 -0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2kfb s GLU 120 Cb 0.20 -0.22 0.03 0.00 0.10 0.00 0.00 34.13 34.25 2kfb s GLU 120 CO 0.28 0.06 -0.16 0.42 0.02 0.00 0.00 175.26 175.87 2kfb s ILE 121 N -0.28 1.96 -0.34 -1.63 -1.09 -0.20 -4.56 121.20 115.07 2kfb s ILE 121 Ca -0.01 -1.07 0.07 0.00 -2.23 0.00 0.00 60.65 57.41 2kfb s ILE 121 Cb -0.03 -1.89 0.55 0.00 -1.58 0.00 0.00 42.46 39.52 2kfb s ILE 121 CO -0.00 0.35 1.59 1.41 -1.23 0.00 0.00 174.94 177.05 2kfb n HIS 122 N 4.61 1.63 0.00 3.97 8.25 -1.03 -4.71 115.22 127.93 2kfb n HIS 122 Ca -0.18 -1.68 0.00 0.00 -0.26 0.00 0.00 57.72 55.60 2kfb n HIS 122 Cb 0.48 -0.62 0.00 0.00 1.12 0.00 0.00 29.99 30.97 2kfb n HIS 122 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2kfb n SER 123 N -1.13 0.00 -3.48 0.41 3.41 -1.24 -3.16 113.62 108.43 2kfb n SER 123 Ca 0.41 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.90 2kfb n SER 123 Cb 1.21 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.13 2kfb n SER 123 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2kfb s LEU 124 N 0.00 -0.49 -0.15 1.04 0.05 -0.95 0.04 118.68 118.21 2kfb s LEU 124 Ca 0.00 0.15 0.00 0.00 0.05 0.00 0.00 54.13 54.33 2kfb s LEU 124 Cb 0.00 2.32 0.02 0.00 -2.05 0.00 0.00 46.19 46.49 2kfb s LEU 124 CO 0.00 -0.74 -0.13 0.21 -0.55 0.00 0.00 176.35 175.14 2kfb s ASN 125 N -2.26 2.69 -0.46 1.48 3.04 0.38 -1.30 114.94 118.51 2kfb s ASN 125 Ca 0.00 -0.50 -0.13 0.00 0.04 0.00 0.00 52.86 52.28 2kfb s ASN 125 Cb -0.01 -1.15 0.09 0.00 -1.54 0.00 0.00 41.25 38.63 2kfb s ASN 125 CO -0.07 -0.07 0.35 -0.69 -3.04 0.00 0.00 177.10 173.59 2kfb s VAL 126 N 1.50 4.76 0.04 -5.21 1.01 -1.03 -0.77 120.40 120.69 2kfb s VAL 126 Ca 0.05 -1.31 -0.16 0.00 0.00 0.00 0.00 61.98 60.56 2kfb s VAL 126 Cb -0.13 -3.91 -0.29 0.00 0.00 0.00 0.00 36.38 32.04 2kfb s VAL 126 CO -0.10 -0.60 1.08 -0.07 0.00 0.00 0.00 175.10 175.40 2kfb h LEU 127 N 8.61 0.82 -8.02 3.92 -0.00 -1.78 -2.64 115.31 116.23 2kfb h LEU 127 Ca -0.26 -0.83 -0.26 0.00 -0.00 0.00 0.00 57.88 56.53 2kfb h LEU 127 Cb 1.10 -0.26 -0.24 0.00 -0.00 0.00 0.00 40.66 41.26 2kfb h LEU 127 CO 0.85 1.57 -0.73 -0.70 -0.00 0.00 0.00 178.44 179.43 2kfb s GLU 128 N -2.94 0.40 1.46 1.13 2.56 -1.21 -4.91 118.70 115.19 2kfb s GLU 128 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.97 54.37 2kfb s GLU 128 Cb 0.05 -0.21 0.00 0.00 2.00 0.00 0.00 34.13 35.97 2kfb s GLU 128 CO 0.92 0.04 0.00 0.41 -0.56 0.00 0.00 175.26 176.07 2kfb n GLY 129 N 2.04 -0.87 3.46 -1.50 0.00 -1.26 -3.82 105.19 103.24 2kfb n GLY 129 Ca -0.19 -0.84 -0.25 0.00 0.00 0.00 0.00 46.02 44.74 2kfb n GLY 129 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 130 N -4.30 3.60 0.20 1.61 0.01 -1.26 -3.62 113.70 109.94 2kfb s SER 130 Ca 0.00 -0.92 0.05 0.00 1.31 0.00 0.00 55.95 56.39 2kfb s SER 130 Cb 0.00 -0.33 -0.05 0.00 0.21 0.00 0.00 66.02 65.85 2kfb s SER 130 CO 0.00 0.08 -0.07 0.26 0.41 0.00 0.00 173.24 173.91 2kfb s TRP 131 N -2.08 1.51 -0.01 2.43 0.52 -0.20 -1.71 118.94 119.39 2kfb s TRP 131 Ca 0.26 -0.77 0.03 0.00 0.02 0.00 0.00 56.10 55.63 2kfb s TRP 131 Cb -0.07 -0.80 -0.00 0.00 -1.15 0.00 0.00 33.47 31.45 2kfb s TRP 131 CO 0.13 0.11 -0.10 0.08 0.02 0.00 0.00 176.95 177.19 2kfb s VAL 132 N -3.26 0.78 -0.01 4.03 1.01 0.95 0.24 120.40 124.13 2kfb s VAL 132 Ca 0.23 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2kfb s VAL 132 Cb 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2kfb s VAL 132 CO 0.05 0.23 -0.07 -0.76 0.00 0.00 0.00 175.10 174.56 2kfb s LEU 133 N -0.06 3.17 -0.08 3.92 1.43 -0.89 -1.46 118.68 124.71 2kfb s LEU 133 Ca 0.01 -0.11 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 2kfb s LEU 133 Cb -0.06 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 2kfb s LEU 133 CO -0.00 0.30 -0.21 -0.31 0.23 0.00 0.00 176.35 176.36 2kfb s TYR 134 N -0.95 2.58 0.54 0.29 1.51 -0.98 -1.76 117.35 118.58 2kfb s TYR 134 Ca 0.16 -0.72 0.37 0.00 -1.01 0.00 0.00 57.07 55.87 2kfb s TYR 134 Cb -0.11 -1.69 1.55 0.00 -0.11 0.00 0.00 41.96 41.60 2kfb s TYR 134 CO 0.06 -0.22 1.78 1.49 -1.11 0.00 0.00 175.55 177.55 2kfb h GLU 135 N 6.28 0.02 -4.81 -0.62 4.81 -1.67 0.39 114.58 118.98 2kfb h GLU 135 Ca -0.29 -0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.53 2kfb h GLU 135 Cb 1.20 -0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.44 2kfb h GLU 135 CO 0.49 0.01 -0.51 -0.48 -0.73 0.00 0.00 179.01 177.80 2kfb s LEU 136 N -8.39 1.59 0.79 1.64 0.05 -1.26 -3.37 118.68 109.73 2kfb s LEU 136 Ca -0.05 -1.67 -0.10 0.00 0.05 0.00 0.00 54.13 52.37 2kfb s LEU 136 Cb 0.23 0.55 0.10 0.00 -2.05 0.00 0.00 46.19 45.02 2kfb s LEU 136 CO 0.81 -1.02 1.12 -0.55 -0.55 0.00 0.00 176.35 176.17 2kfb s SER 137 N -3.32 4.34 -1.62 1.48 0.15 -1.26 -3.54 113.70 109.93 2kfb s SER 137 Ca 0.40 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2kfb s SER 137 Cb 0.03 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 2kfb s SER 137 CO 0.24 -1.94 0.00 0.59 1.20 0.00 0.00 173.24 173.33 2kfb n ASN 138 N -3.20 -5.02 -3.04 5.45 5.03 -0.97 -3.92 115.26 109.60 2kfb n ASN 138 Ca 0.10 0.38 -0.30 0.00 0.87 0.00 0.00 54.58 55.63 2kfb n ASN 138 Cb 0.60 -3.87 0.03 0.00 -1.02 0.00 0.00 39.78 35.53 2kfb n ASN 138 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2kfb n TYR 139 N -2.49 -2.03 -2.63 3.10 4.01 -1.26 -4.91 117.16 110.95 2kfb n TYR 139 Ca -0.15 0.85 -0.01 0.00 -0.16 0.00 0.00 57.90 58.43 2kfb n TYR 139 Cb 0.53 -1.46 0.05 0.00 -0.31 0.00 0.00 39.34 38.15 2kfb n TYR 139 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 2kfb n ARG 140 N -0.41 1.09 0.00 -0.72 0.63 -1.25 -5.10 116.66 110.89 2kfb n ARG 140 Ca -0.09 -2.33 0.00 0.00 -0.92 0.00 0.00 57.85 54.50 2kfb n ARG 140 Cb 0.54 -0.52 0.00 0.00 0.45 0.00 0.00 32.46 32.93 2kfb n ARG 140 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kfb n GLY 141 N -0.55 4.74 3.81 5.14 0.00 -1.26 -4.98 105.19 112.09 2kfb n GLY 141 Ca -0.04 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 2kfb n GLY 141 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kfb s ARG 142 N 4.47 2.10 -0.04 1.61 0.52 -1.26 -4.86 118.95 121.48 2kfb s ARG 142 Ca 0.00 0.62 -0.03 0.00 -0.52 0.00 0.00 55.73 55.80 2kfb s ARG 142 Cb 0.00 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.57 2kfb s ARG 142 CO 0.00 -1.60 0.11 1.14 0.02 0.00 0.00 175.30 174.97 2kfb s GLN 143 N -5.17 0.11 -0.10 3.54 0.00 -1.26 -2.78 119.66 114.00 2kfb s GLN 143 Ca 0.61 0.20 0.01 0.00 -0.00 0.00 0.00 55.36 56.17 2kfb s GLN 143 Cb -0.14 0.00 0.02 0.00 0.00 0.00 0.00 33.01 32.89 2kfb s GLN 143 CO 0.54 -0.05 -0.12 0.71 0.00 0.00 0.00 175.29 176.37 2kfb s TYR 144 N 0.32 1.69 -0.07 9.60 2.02 -0.72 -4.68 117.35 125.51 2kfb s TYR 144 Ca -0.02 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 55.60 2kfb s TYR 144 Cb -0.03 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2kfb s TYR 144 CO -0.01 -0.46 0.95 -1.17 -1.57 0.00 0.00 175.55 173.29 2kfb s LEU 145 N 1.20 4.29 -0.34 -1.29 2.96 -1.26 -2.09 118.68 122.15 2kfb s LEU 145 Ca -0.03 1.51 -0.01 0.00 -0.22 0.00 0.00 54.13 55.38 2kfb s LEU 145 Cb -0.14 -3.49 0.08 0.00 0.50 0.00 0.00 46.19 43.14 2kfb s LEU 145 CO -0.03 -0.35 0.07 -0.76 -1.32 0.00 0.00 176.35 173.95 2kfb s LEU 146 N 1.58 4.46 0.60 -0.68 1.43 0.14 -4.94 118.68 121.26 2kfb s LEU 146 Ca 0.48 -1.67 -0.11 0.00 -1.03 0.00 0.00 54.13 51.80 2kfb s LEU 146 Cb -0.19 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2kfb s LEU 146 CO 0.21 -0.37 1.00 -0.04 0.23 0.00 0.00 176.35 177.38 2kfb s MET 147 N 1.15 3.60 -0.15 1.70 -1.94 -1.26 -1.04 119.30 121.37 2kfb s MET 147 Ca 0.02 0.70 -0.32 0.00 -1.71 0.00 0.00 55.69 54.37 2kfb s MET 147 Cb -0.21 -2.11 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 2kfb s MET 147 CO -0.03 -0.52 2.03 -0.35 -0.01 0.00 0.00 175.02 176.13 2kfb n PRO 148 N -2.67 2.02 -0.42 2.03 -0.04 -1.24 -4.77 135.00 129.92 2kfb n PRO 148 Ca 0.05 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 2kfb n PRO 148 Cb 0.54 -2.79 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 2kfb n PRO 148 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfb n GLY 149 N 5.12 -0.71 3.05 0.55 0.00 -1.00 -5.03 105.19 107.17 2kfb n GLY 149 Ca 0.27 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2kfb n GLY 149 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kfb s ASP 150 N -4.00 1.79 -0.11 1.61 -4.77 -1.26 -2.46 116.67 107.47 2kfb s ASP 150 Ca 0.00 -0.30 0.03 0.00 -3.30 0.00 0.00 52.55 48.98 2kfb s ASP 150 Cb 0.00 -0.71 0.01 0.00 -1.09 0.00 0.00 42.92 41.12 2kfb s ASP 150 CO 0.00 0.06 -0.20 -0.31 0.70 0.00 0.00 175.17 175.42 2kfb s TYR 151 N 0.46 2.33 -0.62 2.11 1.51 -0.42 -4.99 117.35 117.73 2kfb s TYR 151 Ca -0.11 -1.03 0.05 0.00 -1.01 0.00 0.00 57.07 54.97 2kfb s TYR 151 Cb -0.14 -1.60 0.03 0.00 -0.11 0.00 0.00 41.96 40.15 2kfb s TYR 151 CO 0.03 -0.46 0.62 0.54 -1.11 0.00 0.00 175.55 175.17 2kfb n ARG 152 N 3.82 0.37 -3.64 -0.62 1.74 -1.26 -2.24 116.66 114.82 2kfb n ARG 152 Ca -0.20 -0.73 -0.10 0.00 -0.77 0.00 0.00 57.85 56.05 2kfb n ARG 152 Cb 0.52 -1.06 -0.03 0.00 -1.02 0.00 0.00 32.46 30.87 2kfb n ARG 152 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2kfb s ARG 153 N -0.56 1.34 0.42 5.56 1.70 -1.19 -2.76 118.95 123.46 2kfb s ARG 153 Ca 0.06 -0.74 0.23 0.00 -0.47 0.00 0.00 55.73 54.81 2kfb s ARG 153 Cb 0.04 0.54 0.61 0.00 -0.57 0.00 0.00 34.95 35.57 2kfb s ARG 153 CO 0.08 -0.57 1.69 0.10 -1.08 0.00 0.00 175.30 175.52 2kfb h TYR 154 N 2.15 0.00 0.00 5.89 -0.00 -1.84 -3.16 116.97 120.01 2kfb h TYR 154 Ca -0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.42 2kfb h TYR 154 Cb 1.27 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 38.00 2kfb h TYR 154 CO 0.32 0.19 -0.03 1.96 -0.00 0.00 0.00 178.16 180.59 2kfb h GLN 155 N 0.00 0.00 -0.64 0.10 4.20 -1.93 -2.94 115.11 113.89 2kfb h GLN 155 Ca -0.00 0.00 0.13 0.00 0.06 0.00 0.00 58.65 58.84 2kfb h GLN 155 Cb 0.94 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.62 2kfb h GLN 155 CO 0.02 0.03 0.07 -0.44 -0.67 0.00 0.00 178.83 177.84 2kfb h ASP 156 N 0.00 -0.15 -0.54 1.46 3.32 -1.98 0.18 116.42 118.70 2kfb h ASP 156 Ca -0.00 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2kfb h ASP 156 Cb 0.25 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2kfb h ASP 156 CO 0.00 -0.07 0.00 -2.67 -1.72 0.00 0.00 179.24 174.78 2kfb n TRP 157 N -5.22 1.61 -3.24 4.55 2.14 -1.15 -4.98 117.44 111.15 2kfb n TRP 157 Ca 0.10 -0.70 -0.14 0.00 2.07 0.00 0.00 57.50 58.84 2kfb n TRP 157 Cb 0.38 -0.36 0.01 0.00 -0.81 0.00 0.00 31.31 30.53 2kfb n TRP 157 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 2kfb n GLY 158 N 0.63 -1.06 0.50 -1.67 0.00 0.63 -4.96 105.19 99.26 2kfb n GLY 158 Ca 0.25 0.82 -0.03 0.00 0.00 0.00 0.00 46.02 47.06 2kfb n GLY 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfb n ALA 159 N -1.33 0.03 0.00 4.61 0.00 -1.12 -5.01 120.51 117.68 2kfb n ALA 159 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2kfb n ALA 159 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2kfb n ALA 159 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kfb n THR 160 N -1.56 0.00 0.00 0.00 5.66 -1.26 -4.95 114.28 112.17 2kfb n THR 160 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2kfb n THR 160 Cb 0.08 -0.70 0.00 0.00 -1.55 0.00 0.00 70.33 68.16 2kfb n THR 160 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2kfb n ASN 161 N -2.24 0.00 0.00 1.09 4.05 -1.26 -5.02 115.26 111.87 2kfb n ASN 161 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 2kfb n ASN 161 Cb 0.49 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.50 2kfb n ASN 161 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2kfb n ALA 162 N -0.37 0.00 -1.96 5.20 0.00 -1.26 -4.89 120.51 117.22 2kfb n ALA 162 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2kfb n ALA 162 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2kfb n ALA 162 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kfb s ARG 163 N -0.85 3.84 -0.12 0.00 0.52 -1.26 -1.03 118.95 120.05 2kfb s ARG 163 Ca 0.00 1.95 0.03 0.00 -0.52 0.00 0.00 55.73 57.19 2kfb s ARG 163 Cb 0.00 -4.09 -0.00 0.00 0.52 0.00 0.00 34.95 31.38 2kfb s ARG 163 CO 0.00 -1.26 -0.21 0.08 0.02 0.00 0.00 175.30 173.93 2kfb s VAL 164 N 5.26 2.26 -0.10 3.52 1.01 -1.09 -4.13 120.40 127.12 2kfb s VAL 164 Ca 0.78 -0.94 0.15 0.00 0.00 0.00 0.00 61.98 61.97 2kfb s VAL 164 Cb -0.30 -1.89 -0.22 0.00 0.00 0.00 0.00 36.38 33.97 2kfb s VAL 164 CO 0.32 0.55 0.18 0.61 0.00 0.00 0.00 175.10 176.76 2kfb n GLY 165 N 3.66 -0.77 1.40 4.51 0.00 0.14 -4.74 105.19 109.38 2kfb n GLY 165 Ca -0.19 -0.32 -0.03 0.00 0.00 0.00 0.00 46.02 45.48 2kfb n GLY 165 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kfb n SER 166 N -2.38 -0.84 -3.62 1.61 7.64 -1.20 -1.48 113.62 113.35 2kfb n SER 166 Ca -0.16 -1.60 -0.08 0.00 1.01 0.00 0.00 58.87 58.04 2kfb n SER 166 Cb 0.78 1.41 -0.06 0.00 -1.01 0.00 0.00 64.21 65.33 2kfb n SER 166 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kfb s LEU 167 N 0.00 -0.30 0.16 -3.43 0.05 -0.86 -2.33 118.68 111.96 2kfb s LEU 167 Ca 0.06 0.48 0.01 0.00 0.05 0.00 0.00 54.13 54.74 2kfb s LEU 167 Cb -0.02 1.64 -0.04 0.00 -2.05 0.00 0.00 46.19 45.71 2kfb s LEU 167 CO 0.05 -0.17 0.00 0.00 -0.55 0.00 0.00 176.35 175.68 2kfb s ARG 168 N -0.38 1.05 0.13 1.48 1.70 -0.53 0.03 118.95 122.42 2kfb s ARG 168 Ca 0.03 -1.50 -0.04 0.00 -0.47 0.00 0.00 55.73 53.76 2kfb s ARG 168 Cb -0.03 -0.18 -0.05 0.00 -0.57 0.00 0.00 34.95 34.12 2kfb s ARG 168 CO -0.06 -0.14 0.34 -0.98 -1.08 0.00 0.00 175.30 173.38 2kfb s ARG 169 N -3.93 3.58 -1.17 3.89 3.03 -1.26 -0.04 118.95 123.05 2kfb s ARG 169 Ca 0.22 -0.17 -0.18 0.00 2.03 0.00 0.00 55.73 57.63 2kfb s ARG 169 Cb 0.06 -2.89 0.09 0.00 -1.03 0.00 0.00 34.95 31.19 2kfb s ARG 169 CO 0.03 0.50 1.54 0.08 -1.13 0.00 0.00 175.30 176.31 2kfb s VAL 170 N -1.63 4.32 -0.07 4.99 1.01 -0.69 -4.92 120.40 123.41 2kfb s VAL 170 Ca 0.40 -1.74 -0.00 0.00 0.00 0.00 0.00 61.98 60.64 2kfb s VAL 170 Cb -0.12 -5.06 0.02 0.00 0.00 0.00 0.00 36.38 31.22 2kfb s VAL 170 CO 0.25 -1.87 -0.04 -0.63 0.00 0.00 0.00 175.10 172.82 2kfb s ILE 171 N 3.72 0.59 0.15 2.22 1.09 -1.26 -4.69 121.20 123.03 2kfb s ILE 171 Ca 0.47 -0.08 -0.04 0.00 -1.10 0.00 0.00 60.65 59.90 2kfb s ILE 171 Cb 0.01 -0.66 -0.13 0.00 -1.06 0.00 0.00 42.46 40.62 2kfb s ILE 171 CO 0.00 0.27 1.38 -2.24 -0.10 0.00 0.00 174.94 174.25 2kfb h ASP 172 N 7.76 0.59 0.00 3.58 2.03 -1.91 -3.36 116.42 125.11 2kfb h ASP 172 Ca -0.29 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 55.60 2kfb h ASP 172 Cb 1.14 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 39.46 2kfb h ASP 172 CO 0.38 1.16 0.00 0.49 -1.03 0.00 0.00 179.24 180.25 2kfb n PHE 173 N -3.84 0.00 -0.20 4.15 3.72 -1.26 -4.88 117.46 115.14 2kfb n PHE 173 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2kfb n PHE 173 Cb 0.74 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 2kfb n PHE 173 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16