#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 1.69 0.00 1.69 0.00 -1.26 -4.58 107.32 104.87 2kfb s GLY 2 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2kfb s GLY 2 CO 0.00 -0.33 0.00 0.28 0.00 0.00 0.00 173.10 173.05 2kfb n LYS 3 N -3.53 0.00 -4.62 2.90 5.02 -1.20 -4.71 118.16 112.02 2kfb n LYS 3 Ca 0.12 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.12 2kfb n LYS 3 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.51 2kfb n LYS 3 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2kfb s ILE 4 N 0.00 1.92 -0.11 -0.18 -0.00 -1.10 -1.52 121.20 120.21 2kfb s ILE 4 Ca 0.00 -1.99 -0.00 0.00 -0.00 0.00 0.00 60.65 58.66 2kfb s ILE 4 Cb 0.00 -2.91 0.02 0.00 -0.00 0.00 0.00 42.46 39.58 2kfb s ILE 4 CO 0.00 0.00 -0.08 -0.89 -0.00 0.00 0.00 174.94 173.97 2kfb s THR 5 N -2.72 1.03 -0.14 8.37 2.01 0.15 -2.34 115.64 121.99 2kfb s THR 5 Ca 0.32 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.97 2kfb s THR 5 Cb 0.09 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 2kfb s THR 5 CO 0.17 0.36 0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 2kfb s LEU 6 N 1.58 3.54 -0.12 4.42 1.43 0.41 -0.83 118.68 129.11 2kfb s LEU 6 Ca 0.03 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 2kfb s LEU 6 Cb -0.13 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 2kfb s LEU 6 CO -0.07 0.23 -0.14 -0.31 0.23 0.00 0.00 176.35 176.30 2kfb s TYR 7 N 0.01 2.79 0.61 0.29 1.51 -1.07 -0.51 117.35 120.97 2kfb s TYR 7 Ca 0.03 -0.64 0.30 0.00 -1.01 0.00 0.00 57.07 55.75 2kfb s TYR 7 Cb -0.13 -1.83 1.70 0.00 -0.11 0.00 0.00 41.96 41.60 2kfb s TYR 7 CO 0.02 -0.20 2.06 1.49 -1.11 0.00 0.00 175.55 177.81 2kfb h GLU 8 N 6.63 0.00 -5.77 -0.62 4.81 -0.39 -3.09 114.58 116.16 2kfb h GLU 8 Ca -0.26 0.00 -0.49 0.00 -0.13 0.00 0.00 59.36 58.48 2kfb h GLU 8 Cb 1.21 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.40 2kfb h GLU 8 CO 0.55 0.00 -0.78 -0.51 -0.73 0.00 0.00 179.01 177.53 2kfb s ASP 9 N -5.40 2.35 0.99 1.04 1.01 -1.25 -4.15 116.67 111.26 2kfb s ASP 9 Ca -0.04 -0.79 -0.06 0.00 0.71 0.00 0.00 52.55 52.36 2kfb s ASP 9 Cb 0.14 -0.12 0.10 0.00 1.01 0.00 0.00 42.92 44.05 2kfb s ASP 9 CO 0.49 -0.05 0.23 -2.11 0.21 0.00 0.00 175.17 173.93 2kfb n ARG 10 N 0.62 -2.10 -2.55 8.23 1.85 -1.26 -2.43 116.66 119.02 2kfb n ARG 10 Ca -0.16 -0.38 -0.02 0.00 -1.00 0.00 0.00 57.85 56.29 2kfb n ARG 10 Cb 0.56 -0.55 -0.00 0.00 -1.05 0.00 0.00 32.46 31.42 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 -1.37 -0.50 3.60 2.89 0.00 -0.94 -1.12 105.19 107.75 2kfb n GLY 11 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.59 -2.26 -2.75 1.61 3.72 -1.22 -4.99 117.46 108.98 2kfb n PHE 12 Ca -0.01 0.86 0.00 0.00 -0.05 0.00 0.00 57.45 58.26 2kfb n PHE 12 Cb 0.51 -3.18 0.00 0.00 -0.94 0.00 0.00 39.48 35.86 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 -2.60 2.62 0.00 -1.08 6.02 -0.28 -5.04 117.38 117.03 2kfb n GLN 13 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 2kfb n GLN 13 Cb 0.63 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.89 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 3.28 0.97 3.80 1.08 0.00 -1.26 -3.83 105.19 109.22 2kfb n GLY 14 Ca 0.00 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 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 3.75 0.02 1.61 1.81 -1.26 -4.82 118.95 120.06 2kfb s ARG 15 Ca 0.00 1.38 0.01 0.00 -1.72 0.00 0.00 55.73 55.40 2kfb s ARG 15 Cb 0.00 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.40 2kfb s ARG 15 CO 0.00 -0.47 -0.05 -3.38 -0.68 0.00 0.00 175.30 170.71 2kfb s HIS 16 N -1.98 0.47 0.01 -0.53 -3.43 -1.26 0.18 115.29 108.75 2kfb s HIS 16 Ca 0.68 -0.30 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 2kfb s HIS 16 Cb -0.17 -0.29 -0.01 0.00 -1.43 0.00 0.00 32.58 30.68 2kfb s HIS 16 CO 0.21 -0.06 -0.01 -0.47 -2.00 0.00 0.00 174.74 172.41 2kfb s TYR 17 N -0.80 0.08 -0.20 0.38 5.04 0.33 -4.99 117.35 117.20 2kfb s TYR 17 Ca -0.05 -0.15 -0.04 0.00 -2.44 0.00 0.00 57.07 54.39 2kfb s TYR 17 Cb -0.06 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.18 2kfb s TYR 17 CO -0.00 -0.05 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.11 2kfb s GLU 18 N -0.41 3.45 -0.18 4.97 2.12 -1.26 -0.44 118.70 126.95 2kfb s GLU 18 Ca -0.04 -0.60 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 2kfb s GLU 18 Cb -0.03 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.37 2kfb s GLU 18 CO -0.00 -0.07 -0.03 0.00 -0.54 0.00 0.00 175.26 174.62 2kfb n SER 20 N 3.97 1.99 -3.89 0.00 7.64 -1.26 -2.72 113.62 119.36 2kfb n SER 20 Ca -0.17 -1.77 -0.09 0.00 1.01 0.00 0.00 58.87 57.85 2kfb n SER 20 Cb 0.52 -0.05 -0.04 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.80 -0.16 0.32 6.43 1.04 -1.26 -4.73 113.70 114.53 2kfb s SER 21 Ca 0.06 -0.74 -0.29 0.00 0.48 0.00 0.00 55.95 55.46 2kfb s SER 21 Cb 0.03 0.59 -0.12 0.00 0.10 0.00 0.00 66.02 66.62 2kfb s SER 21 CO 0.04 -1.12 1.46 -0.90 0.98 0.00 0.00 173.24 173.70 2kfb n ASP 22 N -0.37 3.35 -4.07 7.02 5.75 -1.26 -4.59 116.55 122.38 2kfb n ASP 22 Ca -0.05 1.18 -0.14 0.00 -0.01 0.00 0.00 54.79 55.77 2kfb n ASP 22 Cb 0.62 -1.54 -0.12 0.00 -1.03 0.00 0.00 41.12 39.05 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 -0.56 0.75 -0.02 2.11 3.76 1.00 -4.96 115.29 117.37 2kfb s HIS 23 Ca 0.60 -0.46 0.04 0.00 -0.15 0.00 0.00 55.06 55.08 2kfb s HIS 23 Cb -0.54 -0.45 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 2kfb s HIS 23 CO 0.56 -0.05 0.09 0.25 -0.85 0.00 0.00 174.74 174.73 2kfb n THR 24 N 1.54 0.00 -3.82 1.30 -2.24 -1.26 -2.60 114.28 107.19 2kfb n THR 24 Ca -0.22 -0.12 -0.27 0.00 -2.27 0.00 0.00 64.05 61.18 2kfb n THR 24 Cb 0.55 0.48 -0.17 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.29 2.47 0.00 3.42 3.04 -1.26 -2.71 114.94 117.62 2kfb s ASN 25 Ca -0.01 -0.52 0.05 0.00 0.04 0.00 0.00 52.86 52.42 2kfb s ASN 25 Cb 0.02 -0.71 -0.03 0.00 -1.54 0.00 0.00 41.25 38.99 2kfb s ASN 25 CO 0.15 -0.21 0.29 0.18 -3.04 0.00 0.00 177.10 174.47 2kfb n LEU 26 N 4.99 0.46 -0.32 3.21 4.32 0.13 -4.65 117.00 125.15 2kfb n LEU 26 Ca -0.10 -0.59 -0.04 0.00 -0.02 0.00 0.00 56.01 55.26 2kfb n LEU 26 Cb 0.48 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.37 2kfb n LEU 26 CO 0.14 0.10 1.23 1.56 -1.22 0.00 0.00 177.39 179.21 2kfb h GLN 27 N 0.20 1.14 -0.89 3.23 4.20 -1.71 1.33 115.11 122.61 2kfb h GLN 27 Ca 0.00 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.67 2kfb h GLN 27 Cb 0.14 -0.25 -0.05 0.00 0.30 0.00 0.00 27.48 27.61 2kfb h GLN 27 CO 0.00 0.76 0.57 -1.35 -0.67 0.00 0.00 178.83 178.14 2kfb h PRO 28 N 1.17 1.08 0.02 1.46 0.11 -1.96 -3.29 132.00 130.60 2kfb h PRO 28 Ca 0.31 -0.06 -0.32 0.00 0.11 0.00 0.00 66.00 66.04 2kfb h PRO 28 Cb -0.12 -0.24 -0.04 0.00 0.11 0.00 0.00 31.00 30.70 2kfb h PRO 28 CO -0.07 0.71 -1.78 0.66 -0.21 0.00 0.00 178.00 177.32 2kfb n TYR 29 N -4.53 0.76 -4.84 0.65 4.01 -0.98 -4.92 117.16 107.31 2kfb n TYR 29 Ca 0.11 0.28 -0.33 0.00 -0.16 0.00 0.00 57.90 57.80 2kfb n TYR 29 Cb 0.09 -1.08 -0.16 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 -7.54 2.35 0.12 7.72 1.43 0.45 -4.91 118.68 118.30 2kfb s LEU 30 Ca -0.30 -0.49 0.23 0.00 -1.03 0.00 0.00 54.13 52.54 2kfb s LEU 30 Cb 0.08 -1.51 0.14 0.00 0.03 0.00 0.00 46.19 44.94 2kfb s LEU 30 CO 0.60 0.13 1.13 -0.24 0.23 0.00 0.00 176.35 178.21 2kfb n SER 31 N 3.75 0.69 -3.29 2.29 2.88 -1.26 -3.27 113.62 115.42 2kfb n SER 31 Ca -0.19 0.07 0.03 0.00 -1.33 0.00 0.00 58.87 57.45 2kfb n SER 31 Cb 0.52 0.48 -0.04 0.00 -0.75 0.00 0.00 64.21 64.42 2kfb n SER 31 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2kfb s ARG 32 N -3.24 0.16 -0.38 -1.46 3.52 -1.26 -5.03 118.95 111.25 2kfb s ARG 32 Ca 0.03 0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 55.88 2kfb s ARG 32 Cb 0.13 0.24 0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2kfb s ARG 32 CO 0.77 -0.06 0.31 0.00 -0.81 0.00 0.00 175.30 175.51 2kfb n ASN 34 N 5.23 1.70 -3.57 0.00 3.02 -1.17 -4.77 115.26 115.70 2kfb n ASN 34 Ca -0.11 -1.35 -0.13 0.00 -0.03 0.00 0.00 54.58 52.96 2kfb n ASN 34 Cb 0.48 0.40 -0.05 0.00 -0.61 0.00 0.00 39.78 40.00 2kfb n ASN 34 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2kfb s SER 35 N -1.77 -0.42 0.05 6.41 0.15 -1.25 0.02 113.70 116.90 2kfb s SER 35 Ca 0.14 0.10 -0.17 0.00 0.70 0.00 0.00 55.95 56.72 2kfb s SER 35 Cb 0.13 0.49 0.03 0.00 -1.71 0.00 0.00 66.02 64.96 2kfb s SER 35 CO 0.36 -0.75 0.39 0.00 1.20 0.00 0.00 173.24 174.45 2kfb s ALA 36 N -2.67 -0.95 -0.06 5.45 0.00 0.72 -2.59 121.76 121.65 2kfb s ALA 36 Ca -0.04 0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 2kfb s ALA 36 Cb -0.00 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.53 2kfb s ALA 36 CO -0.04 -0.48 -0.01 1.03 0.00 0.00 0.00 175.76 176.27 2kfb s ARG 37 N -2.68 0.68 -0.16 0.00 0.52 -0.01 0.16 118.95 117.46 2kfb s ARG 37 Ca -0.04 0.04 -0.04 0.00 -0.52 0.00 0.00 55.73 55.17 2kfb s ARG 37 Cb -0.00 -0.94 -0.03 0.00 0.52 0.00 0.00 34.95 34.50 2kfb s ARG 37 CO -0.04 -0.24 -0.02 0.08 0.02 0.00 0.00 175.30 175.10 2kfb s VAL 38 N 1.67 4.07 -0.15 3.52 1.01 0.33 0.34 120.40 131.19 2kfb s VAL 38 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2kfb s VAL 38 Cb -0.13 -2.79 -0.24 0.00 0.00 0.00 0.00 36.38 33.22 2kfb s VAL 38 CO -0.04 0.49 0.32 -0.67 0.00 0.00 0.00 175.10 175.20 2kfb n ASP 39 N 3.51 2.05 -3.61 3.32 -0.08 -0.57 -1.42 116.55 119.74 2kfb n ASP 39 Ca -0.17 0.28 -0.09 0.00 -1.51 0.00 0.00 54.79 53.30 2kfb n ASP 39 Cb 0.52 -0.90 -0.02 0.00 2.34 0.00 0.00 41.12 43.06 2kfb n ASP 39 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kfb s SER 40 N -7.00 -0.39 0.07 1.67 1.04 -1.26 -4.80 113.70 103.03 2kfb s SER 40 Ca -0.24 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2kfb s SER 40 Cb 0.06 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2kfb s SER 40 CO 0.71 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2kfb n GLY 41 N -0.40 -1.67 3.43 7.32 0.00 -1.26 -3.24 105.19 109.37 2kfb n GLY 41 Ca -0.10 -1.45 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 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 0.39 2.54 -0.09 0.00 0.52 -0.93 -2.16 118.94 119.22 2kfb s TRP 43 Ca -0.07 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 55.82 2kfb s TRP 43 Cb -0.15 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 30.73 2kfb s TRP 43 CO 0.04 0.26 -0.21 1.41 0.02 0.00 0.00 176.95 178.47 2kfb s MET 44 N -1.53 2.69 -0.14 4.98 1.75 -0.84 -0.98 119.30 125.22 2kfb s MET 44 Ca 0.15 -0.77 -0.03 0.00 -1.25 0.00 0.00 55.69 53.78 2kfb s MET 44 Cb -0.10 -2.08 -0.03 0.00 2.84 0.00 0.00 34.83 35.46 2kfb s MET 44 CO 0.06 0.16 -0.03 -0.51 -0.65 0.00 0.00 175.02 174.05 2kfb s LEU 45 N 0.36 3.30 -0.13 4.11 1.02 -1.03 -1.06 118.68 125.26 2kfb s LEU 45 Ca -0.16 -0.08 -0.01 0.00 0.02 0.00 0.00 54.13 53.89 2kfb s LEU 45 Cb -0.17 -1.79 -0.02 0.00 0.02 0.00 0.00 46.19 44.23 2kfb s LEU 45 CO 0.07 0.21 -0.08 -0.31 0.02 0.00 0.00 176.35 176.26 2kfb s TYR 46 N 0.13 2.92 0.37 0.29 1.51 -0.94 -1.42 117.35 120.22 2kfb s TYR 46 Ca -0.01 -0.34 0.07 0.00 -1.01 0.00 0.00 57.07 55.78 2kfb s TYR 46 Cb -0.14 -1.86 0.77 0.00 -0.11 0.00 0.00 41.96 40.63 2kfb s TYR 46 CO 0.03 -0.01 1.95 1.05 -1.11 0.00 0.00 175.55 177.45 2kfb h GLU 47 N 6.37 0.70 -6.25 -0.62 4.11 -1.40 -2.89 114.58 114.60 2kfb h GLU 47 Ca -0.33 -0.04 -0.60 0.00 0.07 0.00 0.00 59.36 58.45 2kfb h GLU 47 Cb 1.19 -0.16 -0.09 0.00 0.50 0.00 0.00 28.75 30.20 2kfb h GLU 47 CO 0.58 0.46 -0.61 -0.65 0.07 0.00 0.00 179.01 178.86 2kfb s GLN 48 N -5.65 2.73 0.83 1.06 -0.21 -0.30 -3.51 119.66 114.61 2kfb s GLN 48 Ca -0.10 -0.89 -0.11 0.00 0.02 0.00 0.00 55.36 54.29 2kfb s GLN 48 Cb 0.20 -2.58 0.10 0.00 1.00 0.00 0.00 33.01 31.73 2kfb s GLN 48 CO 0.77 0.50 1.12 -1.25 -2.12 0.00 0.00 175.29 174.31 2kfb s PRO 49 N -2.84 1.69 -1.36 2.91 0.04 -1.26 -2.77 135.00 131.41 2kfb s PRO 49 Ca 0.29 1.38 -0.04 0.00 0.04 0.00 0.00 61.00 62.67 2kfb s PRO 49 Cb -0.10 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2kfb s PRO 49 CO 0.21 -2.10 0.47 0.09 0.04 0.00 0.00 177.00 175.71 2kfb n ASN 50 N -3.79 -5.48 -3.13 6.66 5.03 -1.10 -3.70 115.26 109.75 2kfb n ASN 50 Ca 0.11 -0.22 -0.14 0.00 0.87 0.00 0.00 54.58 55.19 2kfb n ASN 50 Cb 0.52 -4.34 0.01 0.00 -1.02 0.00 0.00 39.78 34.95 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 -4.31 -3.06 -3.86 3.10 4.01 -1.24 -5.04 117.16 106.76 2kfb n TYR 51 Ca -0.11 1.23 -0.10 0.00 -0.16 0.00 0.00 57.90 58.75 2kfb n TYR 51 Cb 0.61 -3.51 -0.09 0.00 -0.31 0.00 0.00 39.34 36.04 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 -2.53 0.05 0.00 7.72 0.01 -1.11 -5.04 113.70 112.80 2kfb s SER 52 Ca 0.19 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2kfb s SER 52 Cb -0.04 0.27 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2kfb s SER 52 CO 0.80 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2kfb n GLY 53 N 0.80 -0.15 3.77 3.44 0.00 -1.26 -1.15 105.19 110.65 2kfb n GLY 53 Ca -0.19 -1.32 -0.38 0.00 0.00 0.00 0.00 46.02 44.13 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 4.28 0.18 0.99 2.96 -1.26 -4.84 118.68 120.99 2kfb s LEU 54 Ca 0.00 2.08 0.11 0.00 -0.22 0.00 0.00 54.13 56.10 2kfb s LEU 54 Cb 0.00 -4.01 -0.04 0.00 0.50 0.00 0.00 46.19 42.64 2kfb s LEU 54 CO 0.00 -0.34 -0.23 0.00 -1.32 0.00 0.00 176.35 174.46 2kfb s GLN 55 N -2.14 1.57 -0.12 1.98 -2.07 -1.26 -1.79 119.66 115.83 2kfb s GLN 55 Ca 0.53 -1.47 0.01 0.00 -1.82 0.00 0.00 55.36 52.61 2kfb s GLN 55 Cb -0.24 -1.89 0.02 0.00 -1.09 0.00 0.00 33.01 29.80 2kfb s GLN 55 CO 0.31 0.41 -0.14 0.71 -1.32 0.00 0.00 175.29 175.26 2kfb s TYR 56 N -1.58 1.91 -0.17 9.60 2.02 -0.51 -4.80 117.35 123.83 2kfb s TYR 56 Ca 0.20 -0.94 -0.27 0.00 -0.37 0.00 0.00 57.07 55.69 2kfb s TYR 56 Cb -0.08 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 2kfb s TYR 56 CO 0.10 -0.52 0.90 0.12 -1.57 0.00 0.00 175.55 174.58 2kfb s PHE 57 N 1.19 3.42 0.06 2.71 5.36 -1.26 -2.47 117.98 126.98 2kfb s PHE 57 Ca -0.03 1.35 0.09 0.00 -0.96 0.00 0.00 56.93 57.39 2kfb s PHE 57 Cb -0.14 -3.09 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 2kfb s PHE 57 CO -0.04 -0.28 -0.26 -0.51 -1.46 0.00 0.00 175.22 172.66 2kfb s LEU 58 N 2.32 2.19 0.12 6.12 1.02 -0.16 -4.90 118.68 125.39 2kfb s LEU 58 Ca 0.41 -0.61 0.04 0.00 0.02 0.00 0.00 54.13 53.99 2kfb s LEU 58 Cb -0.17 -1.26 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 2kfb s LEU 58 CO 0.12 0.24 -0.10 -0.13 0.02 0.00 0.00 176.35 176.50 2kfb s ARG 59 N -1.34 0.96 -0.15 1.70 0.52 -1.26 -2.18 118.95 117.21 2kfb s ARG 59 Ca 0.12 -1.30 -0.37 0.00 -0.52 0.00 0.00 55.73 53.65 2kfb s ARG 59 Cb -0.10 -0.60 -0.18 0.00 0.52 0.00 0.00 34.95 34.60 2kfb s ARG 59 CO 0.03 0.08 1.09 -2.13 0.02 0.00 0.00 175.30 174.39 2kfb n ARG 60 N 0.20 0.00 0.00 3.54 0.63 -1.25 -4.73 116.66 115.05 2kfb n ARG 60 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 2kfb n ARG 60 Cb 0.59 -1.32 0.00 0.00 0.45 0.00 0.00 32.46 32.18 2kfb n ARG 60 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kfb n GLY 61 N 2.05 -0.59 3.34 5.14 0.00 -0.51 -4.97 105.19 109.65 2kfb n GLY 61 Ca 0.21 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.46 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 0.00 3.97 -0.22 1.61 -4.77 -1.26 -0.51 116.67 115.49 2kfb s ASP 62 Ca 0.00 -0.37 0.02 0.00 -3.30 0.00 0.00 52.55 48.90 2kfb s ASP 62 Cb 0.00 -1.62 0.05 0.00 -1.09 0.00 0.00 42.92 40.26 2kfb s ASP 62 CO 0.00 0.12 -0.12 -0.31 0.70 0.00 0.00 175.17 175.57 2kfb s TYR 63 N 0.60 2.76 -1.95 2.11 2.02 0.12 -4.97 117.35 118.03 2kfb s TYR 63 Ca -0.07 -1.86 0.26 0.00 -0.37 0.00 0.00 57.07 55.02 2kfb s TYR 63 Cb -0.16 -1.78 0.67 0.00 -0.40 0.00 0.00 41.96 40.30 2kfb s TYR 63 CO 0.03 -0.80 1.52 0.00 -1.57 0.00 0.00 175.55 174.72 2kfb n ALA 64 N 4.59 3.05 -3.18 3.71 0.00 -1.26 -0.20 120.51 127.22 2kfb n ALA 64 Ca -0.15 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2kfb n ALA 64 Cb 0.45 -1.08 -0.12 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.40 -0.26 0.21 0.00 1.01 -1.21 -2.20 116.67 111.82 2kfb s ASP 65 Ca 0.26 0.50 -0.10 0.00 0.71 0.00 0.00 52.55 53.92 2kfb s ASP 65 Cb 0.19 0.49 0.17 0.00 1.01 0.00 0.00 42.92 44.78 2kfb s ASP 65 CO 0.49 -0.09 1.88 1.12 0.21 0.00 0.00 175.17 178.78 2kfb h HIS 66 N 5.87 0.99 0.00 4.23 2.07 -0.71 -0.29 115.15 127.32 2kfb h HIS 66 Ca -0.27 0.02 0.00 0.00 -2.85 0.00 0.00 60.37 57.27 2kfb h HIS 66 Cb 1.19 -0.33 0.00 0.00 2.57 0.00 0.00 27.41 30.84 2kfb h HIS 66 CO 0.40 0.63 0.13 1.04 -3.07 0.00 0.00 177.93 177.06 2kfb n GLN 67 N -4.53 0.00 0.06 5.12 6.02 -1.26 -0.50 117.38 122.29 2kfb n GLN 67 Ca 0.08 0.25 -0.11 0.00 -0.01 0.00 0.00 57.00 57.20 2kfb n GLN 67 Cb 0.02 -1.63 -0.13 0.00 1.02 0.00 0.00 30.24 29.52 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 0.11 -0.64 -1.09 1.08 -1.43 -3.25 115.11 109.89 2kfb h GLN 68 Ca 0.00 -0.19 0.00 0.00 -1.45 0.00 0.00 58.65 57.01 2kfb h GLN 68 Cb 0.25 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2kfb h GLN 68 CO 0.00 1.01 0.00 -2.67 -0.95 0.00 0.00 178.83 176.22 2kfb n TRP 69 N -3.37 1.50 -2.12 2.96 2.14 0.34 -4.88 117.44 114.02 2kfb n TRP 69 Ca -0.07 -0.56 -0.07 0.00 2.07 0.00 0.00 57.50 58.87 2kfb n TRP 69 Cb 0.99 -0.31 -0.00 0.00 -0.81 0.00 0.00 31.31 31.18 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 0.80 -0.56 -0.29 -2.67 2.81 -1.21 -4.42 117.12 111.59 2kfb n MET 70 Ca 0.23 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 2kfb n MET 70 Cb 0.90 -4.23 0.00 0.00 -0.71 0.00 0.00 33.22 29.18 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 -1.02 1.78 0.00 3.03 0.00 -0.97 -4.64 105.19 103.36 2kfb n GLY 71 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2kfb n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kfb n LEU 72 N 1.51 0.00 -4.50 0.99 4.77 -1.26 -2.70 117.00 115.80 2kfb n LEU 72 Ca 0.00 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.60 2kfb n LEU 72 Cb 0.34 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.32 2kfb n LEU 72 CO 0.00 0.00 -0.19 -0.55 -1.33 0.00 0.00 177.39 175.32 2kfb s SER 73 N -4.11 5.72 0.00 -1.43 0.15 -1.26 -4.95 113.70 107.81 2kfb s SER 73 Ca 0.00 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.35 2kfb s SER 73 Cb 0.00 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2kfb s SER 73 CO 0.00 -0.13 0.69 -0.90 1.20 0.00 0.00 173.24 174.09 2kfb n ASP 74 N 5.02 1.88 -4.27 5.45 5.75 -1.10 -4.68 116.55 124.61 2kfb n ASP 74 Ca -0.14 -1.34 -0.33 0.00 -0.01 0.00 0.00 54.79 52.96 2kfb n ASP 74 Cb 0.50 -0.38 -0.15 0.00 -1.03 0.00 0.00 41.12 40.06 2kfb n ASP 74 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2kfb s SER 75 N 1.71 3.67 -0.30 -1.12 0.01 -1.26 -4.83 113.70 111.57 2kfb s SER 75 Ca 0.00 -0.47 -0.05 0.00 1.31 0.00 0.00 55.95 56.74 2kfb s SER 75 Cb 0.00 -1.56 0.18 0.00 0.21 0.00 0.00 66.02 64.84 2kfb s SER 75 CO 0.00 0.09 0.73 0.54 0.41 0.00 0.00 173.24 175.01 2kfb s VAL 76 N 0.81 -0.82 -0.05 3.43 0.11 -1.25 -3.84 120.40 118.79 2kfb s VAL 76 Ca -0.05 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.08 2kfb s VAL 76 Cb -0.15 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.82 2kfb s VAL 76 CO -0.00 0.00 1.05 0.54 -3.33 0.00 0.00 175.10 173.36 2kfb n ARG 77 N 5.42 2.16 -3.57 1.54 1.74 -1.09 -4.65 116.66 118.21 2kfb n ARG 77 Ca -0.04 -1.93 -0.08 0.00 -0.77 0.00 0.00 57.85 55.04 2kfb n ARG 77 Cb 0.52 -1.19 -0.02 0.00 -1.02 0.00 0.00 32.46 30.74 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 -1.77 -0.36 -0.10 0.55 1.04 -1.23 -0.70 113.70 111.14 2kfb s SER 78 Ca 0.13 -0.14 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 2kfb s SER 78 Cb 0.12 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.77 2kfb s SER 78 CO 0.01 -0.82 0.51 0.00 0.98 0.00 0.00 173.24 173.92 2kfb s ARG 80 N -0.68 1.04 -0.40 0.00 1.70 -0.22 -0.00 118.95 120.39 2kfb s ARG 80 Ca -0.08 -0.97 -0.17 0.00 -0.47 0.00 0.00 55.73 54.04 2kfb s ARG 80 Cb -0.03 -1.15 0.01 0.00 -0.57 0.00 0.00 34.95 33.21 2kfb s ARG 80 CO 0.05 0.28 0.45 -1.17 -1.08 0.00 0.00 175.30 173.83 2kfb s LEU 81 N -1.54 4.71 -0.25 -1.89 2.96 -1.26 -1.98 118.68 119.42 2kfb s LEU 81 Ca 0.03 -0.51 -0.30 0.00 -0.22 0.00 0.00 54.13 53.13 2kfb s LEU 81 Cb -0.09 -2.43 -0.07 0.00 0.50 0.00 0.00 46.19 44.09 2kfb s LEU 81 CO 0.03 -0.55 2.20 -0.38 -1.32 0.00 0.00 176.35 176.33 2kfb n ILE 82 N 5.45 0.31 -1.89 6.68 5.41 -0.92 -4.82 119.36 129.58 2kfb n ILE 82 Ca -0.07 -0.39 -0.29 0.00 1.00 0.00 0.00 62.75 63.00 2kfb n ILE 82 Cb 0.48 -2.28 0.14 0.00 -0.71 0.00 0.00 39.64 37.27 2kfb n ILE 82 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2kfb s PRO 83 N 6.24 1.22 0.00 0.38 0.04 -1.26 -4.72 135.00 136.89 2kfb s PRO 83 Ca 1.03 -0.15 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2kfb s PRO 83 Cb -0.50 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.15 2kfb s PRO 83 CO 0.40 -2.06 0.00 0.72 0.04 0.00 0.00 177.00 176.09 2kfb n HIS 84 N -3.58 0.00 -3.55 0.56 8.25 -1.26 -4.61 115.22 111.03 2kfb n HIS 84 Ca 0.12 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 2kfb n HIS 84 Cb 0.60 -1.15 -0.02 0.00 1.12 0.00 0.00 29.99 30.54 2kfb n HIS 84 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kfb s SER 85 N -1.04 -0.48 0.00 0.41 1.04 -1.26 -4.70 113.70 107.67 2kfb s SER 85 Ca 0.00 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2kfb s SER 85 Cb 0.00 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2kfb s SER 85 CO 0.00 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.75 2kfb n GLY 86 N -0.40 1.06 3.86 7.32 0.00 -1.26 -4.84 105.19 110.93 2kfb n GLY 86 Ca -0.13 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.50 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 -4.00 6.51 -0.15 1.61 0.01 -1.26 -5.03 113.70 111.39 2kfb s SER 87 Ca 0.00 1.32 -0.01 0.00 1.31 0.00 0.00 55.95 58.57 2kfb s SER 87 Cb 0.00 -2.41 0.04 0.00 0.21 0.00 0.00 66.02 63.87 2kfb s SER 87 CO 0.00 -0.54 -0.02 -1.00 0.41 0.00 0.00 173.24 172.09 2kfb s HIS 88 N -2.59 1.33 -0.06 2.43 0.09 -1.26 -3.67 115.29 111.57 2kfb s HIS 88 Ca 0.54 -0.83 -0.03 0.00 -0.00 0.00 0.00 55.06 54.74 2kfb s HIS 88 Cb -0.10 -1.14 0.03 0.00 -0.00 0.00 0.00 32.58 31.36 2kfb s HIS 88 CO 0.35 -0.55 0.13 1.03 -0.00 0.00 0.00 174.74 175.70 2kfb s ARG 89 N 1.76 0.11 -0.06 1.40 0.52 -1.25 -4.44 118.95 116.99 2kfb s ARG 89 Ca 0.01 0.27 -0.09 0.00 -0.52 0.00 0.00 55.73 55.41 2kfb s ARG 89 Cb -0.15 -0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.27 2kfb s ARG 89 CO -0.07 -0.10 0.22 -1.50 0.02 0.00 0.00 175.30 173.87 2kfb s ILE 90 N 0.66 0.03 -0.38 1.52 2.07 -1.01 -2.53 121.20 121.56 2kfb s ILE 90 Ca -0.05 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 2kfb s ILE 90 Cb -0.07 -0.40 0.11 0.00 0.13 0.00 0.00 42.46 42.23 2kfb s ILE 90 CO -0.03 -0.13 0.10 -0.13 -1.91 0.00 0.00 174.94 172.84 2kfb s ARG 91 N -0.44 1.51 0.23 3.50 0.52 0.83 -1.52 118.95 123.58 2kfb s ARG 91 Ca -0.05 -1.96 -0.30 0.00 -0.52 0.00 0.00 55.73 52.89 2kfb s ARG 91 Cb -0.04 -3.10 -0.09 0.00 0.52 0.00 0.00 34.95 32.25 2kfb s ARG 91 CO 0.01 -0.98 1.05 -0.51 0.02 0.00 0.00 175.30 174.89 2kfb s LEU 92 N 0.71 4.55 -0.06 2.53 1.43 -0.35 -0.55 118.68 126.94 2kfb s LEU 92 Ca 0.12 2.10 0.04 0.00 -1.03 0.00 0.00 54.13 55.36 2kfb s LEU 92 Cb -0.20 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.39 2kfb s LEU 92 CO -0.08 -0.08 -0.19 -0.31 0.23 0.00 0.00 176.35 175.92 2kfb s TYR 93 N -0.79 2.58 0.00 0.29 2.02 0.11 -1.44 117.35 120.12 2kfb s TYR 93 Ca 0.45 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2kfb s TYR 93 Cb -0.29 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.63 2kfb s TYR 93 CO 0.36 -0.06 0.99 0.39 -1.57 0.00 0.00 175.55 175.66 2kfb n GLU 94 N 2.78 0.00 -2.81 -0.62 4.71 0.48 -2.78 120.64 122.40 2kfb n GLU 94 Ca -0.17 0.54 -0.20 0.00 -0.01 0.00 0.00 57.16 57.31 2kfb n GLU 94 Cb 0.52 -1.49 0.06 0.00 -1.01 0.00 0.00 31.44 29.52 2kfb n GLU 94 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2kfb s ARG 95 N -2.94 2.30 0.97 3.49 3.00 -1.26 -1.44 118.95 123.06 2kfb s ARG 95 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 55.73 54.41 2kfb s ARG 95 Cb 0.00 -2.55 0.17 0.00 0.00 0.00 0.00 34.95 32.58 2kfb s ARG 95 CO 0.00 -0.86 1.09 -1.21 0.00 0.00 0.00 175.30 174.31 2kfb s GLU 96 N -4.75 0.63 -0.25 3.54 2.02 -1.25 -2.92 118.70 115.72 2kfb s GLU 96 Ca 0.61 0.98 0.00 0.00 0.02 0.00 0.00 54.97 56.58 2kfb s GLU 96 Cb -0.08 -1.72 0.00 0.00 0.10 0.00 0.00 34.13 32.43 2kfb s GLU 96 CO 0.39 -2.71 0.00 -0.25 0.02 0.00 0.00 175.26 172.71 2kfb n ASP 97 N -4.23 -1.32 -1.63 -0.19 8.00 -1.10 0.17 116.55 116.24 2kfb n ASP 97 Ca 0.07 0.31 -0.16 0.00 0.71 0.00 0.00 54.79 55.71 2kfb n ASP 97 Cb 0.54 -1.36 -0.03 0.00 -0.02 0.00 0.00 41.12 40.25 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 -2.17 -0.49 -0.67 1.24 4.01 -1.15 -4.86 117.16 113.07 2kfb n TYR 98 Ca -0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.66 2kfb n TYR 98 Cb 0.37 -3.12 -0.03 0.00 -0.31 0.00 0.00 39.34 36.25 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 -2.54 1.32 -2.76 -0.72 5.12 0.44 -4.80 116.66 112.72 2kfb n ARG 99 Ca -0.18 -0.44 -0.01 0.00 -1.93 0.00 0.00 57.85 55.29 2kfb n ARG 99 Cb 0.60 -1.28 0.01 0.00 -1.16 0.00 0.00 32.46 30.63 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 1.50 0.86 3.67 -0.13 0.00 -1.26 -4.52 105.19 105.31 2kfb n GLY 100 Ca 0.13 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.40 0.83 -4.23 1.61 -0.06 -1.26 -4.55 117.38 109.33 2kfb n GLN 101 Ca -0.01 0.34 -0.16 0.00 -2.00 0.00 0.00 57.00 55.17 2kfb n GLN 101 Cb 0.31 -2.37 -0.11 0.00 -4.06 0.00 0.00 30.24 24.01 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 -3.29 1.00 -0.11 3.69 0.23 -1.26 -0.39 119.30 119.16 2kfb s MET 102 Ca 0.78 -1.28 -0.14 0.00 -1.03 0.00 0.00 55.69 54.02 2kfb s MET 102 Cb -0.37 -0.74 0.03 0.00 -1.53 0.00 0.00 34.83 32.22 2kfb s MET 102 CO 0.45 0.12 0.37 -1.50 -2.03 0.00 0.00 175.02 172.43 2kfb s ILE 103 N -2.55 0.01 0.01 3.16 2.07 -0.52 -5.02 121.20 118.36 2kfb s ILE 103 Ca 0.10 -0.11 0.05 0.00 -1.41 0.00 0.00 60.65 59.28 2kfb s ILE 103 Cb -0.02 -0.56 -0.03 0.00 0.13 0.00 0.00 42.46 41.97 2kfb s ILE 103 CO 0.02 -0.06 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.16 2kfb s GLU 104 N -0.18 2.34 0.09 3.50 2.12 -1.26 -1.21 118.70 124.10 2kfb s GLU 104 Ca -0.03 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.52 2kfb s GLU 104 Cb -0.03 -2.35 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 2kfb s GLU 104 CO 0.02 0.58 -0.13 -0.06 -0.54 0.00 0.00 175.26 175.12 2kfb s PHE 105 N -0.93 1.22 0.00 5.30 0.08 -0.57 -5.02 117.98 118.05 2kfb s PHE 105 Ca 0.15 -0.54 0.00 0.00 0.12 0.00 0.00 56.93 56.67 2kfb s PHE 105 Cb -0.11 -0.66 0.00 0.00 -0.57 0.00 0.00 43.02 41.68 2kfb s PHE 105 CO 0.06 0.07 0.46 0.25 -0.10 0.00 0.00 175.22 175.96 2kfb n THR 106 N 0.88 0.00 -2.86 0.64 -2.24 -1.26 -2.39 114.28 107.04 2kfb n THR 106 Ca -0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2kfb n THR 106 Cb 0.56 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.59 2kfb n THR 106 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2kfb s GLU 107 N 0.00 1.03 0.00 -0.78 -1.05 -1.26 -4.83 118.70 111.81 2kfb s GLU 107 Ca 0.00 -1.01 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 2kfb s GLU 107 Cb 0.00 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.58 2kfb s GLU 107 CO 0.00 -1.31 0.00 -0.40 0.95 0.00 0.00 175.26 174.50 2kfb n ASP 108 N 3.15 0.00 -3.50 0.83 5.68 -1.26 -4.91 116.55 116.54 2kfb n ASP 108 Ca 0.18 0.00 -0.21 0.00 -0.50 0.00 0.00 54.79 54.26 2kfb n ASP 108 Cb 0.56 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.40 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 8.33 0.00 -2.62 0.00 0.02 -1.90 -2.59 113.55 114.79 2kfb h SER 110 Ca -0.16 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.20 2kfb h SER 110 Cb 1.11 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.26 2kfb h SER 110 CO 0.32 0.34 -0.85 0.00 -1.14 0.00 0.00 176.83 175.50 2kfb h LEU 112 N 6.89 0.86 0.00 0.00 3.38 -1.58 -2.26 115.31 122.60 2kfb h LEU 112 Ca 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2kfb h LEU 112 Cb 0.96 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.49 2kfb h LEU 112 CO 0.28 0.75 0.28 0.00 0.09 0.00 0.00 178.44 179.84 2kfb n GLN 113 N -4.48 0.00 -0.01 1.13 1.13 -1.26 0.28 117.38 114.17 2kfb n GLN 113 Ca 0.05 0.12 0.03 0.00 -1.94 0.00 0.00 57.00 55.26 2kfb n GLN 113 Cb 0.12 -1.78 -0.13 0.00 0.11 0.00 0.00 30.24 28.56 2kfb n GLN 113 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2kfb n ASP 114 N -1.05 0.28 -0.10 1.08 -0.08 -0.85 -4.57 116.55 111.26 2kfb n ASP 114 Ca 0.00 0.12 -0.14 0.00 -1.51 0.00 0.00 54.79 53.26 2kfb n ASP 114 Cb 0.28 1.16 -0.09 0.00 2.34 0.00 0.00 41.12 44.81 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 -2.57 0.50 -5.04 -0.67 5.12 0.80 -5.00 116.66 109.80 2kfb n ARG 115 Ca -0.12 0.12 -0.28 0.00 -1.93 0.00 0.00 57.85 55.64 2kfb n ARG 115 Cb 0.78 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 30.53 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 -2.40 1.93 0.00 -1.55 -0.71 0.13 -5.08 117.98 110.30 2kfb s PHE 116 Ca -0.27 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.20 2kfb s PHE 116 Cb 0.07 -1.26 0.00 0.00 -1.21 0.00 0.00 43.02 40.63 2kfb s PHE 116 CO 0.46 -0.07 0.32 0.54 -1.34 0.00 0.00 175.22 175.13 2kfb n ARG 117 N 2.69 0.00 -0.62 1.99 1.74 -1.26 -4.10 116.66 117.10 2kfb n ARG 117 Ca -0.16 0.30 -0.20 0.00 -0.77 0.00 0.00 57.85 57.01 2kfb n ARG 117 Cb 0.53 -1.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.96 2kfb n ARG 117 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2kfb n PHE 118 N -1.39 -0.95 -0.48 -1.55 3.01 -1.26 -4.85 117.46 109.99 2kfb n PHE 118 Ca 0.00 0.31 0.08 0.00 1.01 0.00 0.00 57.45 58.85 2kfb n PHE 118 Cb 0.00 -0.86 0.25 0.00 -0.01 0.00 0.00 39.48 38.87 2kfb n PHE 118 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2kfb n ASN 119 N 1.11 3.77 -3.85 4.37 5.15 -1.26 -4.93 115.26 119.61 2kfb n ASN 119 Ca 0.06 -2.31 -0.12 0.00 -0.60 0.00 0.00 54.58 51.60 2kfb n ASN 119 Cb 0.19 -0.42 -0.13 0.00 -0.53 0.00 0.00 39.78 38.88 2kfb n ASN 119 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2kfb s GLU 120 N -1.58 0.09 -0.20 1.20 2.02 -1.26 -2.42 118.70 116.55 2kfb s GLU 120 Ca 0.38 0.05 0.01 0.00 0.02 0.00 0.00 54.97 55.44 2kfb s GLU 120 Cb 0.24 0.04 0.03 0.00 0.10 0.00 0.00 34.13 34.54 2kfb s GLU 120 CO 0.19 -0.01 -0.17 0.42 0.02 0.00 0.00 175.26 175.72 2kfb s ILE 121 N -0.05 2.01 -0.35 -1.63 -1.09 -1.12 -4.71 121.20 114.26 2kfb s ILE 121 Ca -0.01 -1.09 0.07 0.00 -2.23 0.00 0.00 60.65 57.39 2kfb s ILE 121 Cb -0.01 -1.92 0.56 0.00 -1.58 0.00 0.00 42.46 39.51 2kfb s ILE 121 CO 0.00 0.36 1.62 1.41 -1.23 0.00 0.00 174.94 177.11 2kfb n HIS 122 N 4.59 1.79 0.00 3.97 8.25 -0.52 -4.72 115.22 128.58 2kfb n HIS 122 Ca -0.18 -1.72 0.00 0.00 -0.26 0.00 0.00 57.72 55.56 2kfb n HIS 122 Cb 0.48 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.21 -3.19 113.62 108.43 2kfb n SER 123 Ca 0.43 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.92 2kfb n SER 123 Cb 1.25 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 65.17 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 -0.18 1.04 0.05 -1.01 0.09 118.68 118.18 2kfb s LEU 124 Ca 0.00 0.14 0.01 0.00 0.05 0.00 0.00 54.13 54.32 2kfb s LEU 124 Cb 0.00 2.32 0.04 0.00 -2.05 0.00 0.00 46.19 46.50 2kfb s LEU 124 CO 0.00 -0.74 -0.11 0.21 -0.55 0.00 0.00 176.35 175.16 2kfb s ASN 125 N -2.29 3.15 -0.45 1.48 3.04 0.29 -1.36 114.94 118.79 2kfb s ASN 125 Ca 0.00 -0.76 -0.13 0.00 0.04 0.00 0.00 52.86 52.02 2kfb s ASN 125 Cb -0.01 -1.19 0.08 0.00 -1.54 0.00 0.00 41.25 38.59 2kfb s ASN 125 CO -0.07 -0.12 0.34 -0.69 -3.04 0.00 0.00 177.10 173.52 2kfb s VAL 126 N 1.44 4.82 0.06 -5.21 1.01 -1.07 -0.12 120.40 121.34 2kfb s VAL 126 Ca 0.01 -1.22 -0.12 0.00 0.00 0.00 0.00 61.98 60.64 2kfb s VAL 126 Cb -0.15 -3.91 -0.29 0.00 0.00 0.00 0.00 36.38 32.03 2kfb s VAL 126 CO -0.09 -0.56 1.11 -0.07 0.00 0.00 0.00 175.10 175.49 2kfb h LEU 127 N 8.61 0.77 -8.04 3.92 -0.00 -1.75 -2.19 115.31 116.62 2kfb h LEU 127 Ca -0.26 -0.73 -0.13 0.00 -0.00 0.00 0.00 57.88 56.75 2kfb h LEU 127 Cb 1.10 -0.24 -0.17 0.00 -0.00 0.00 0.00 40.66 41.34 2kfb h LEU 127 CO 0.84 1.55 -0.62 -0.70 -0.00 0.00 0.00 178.44 179.51 2kfb s GLU 128 N -2.90 0.54 0.70 1.13 2.56 -1.21 -4.90 118.70 114.63 2kfb s GLU 128 Ca -0.08 -0.91 0.00 0.00 0.00 0.00 0.00 54.97 53.98 2kfb s GLU 128 Cb 0.06 0.20 0.00 0.00 2.00 0.00 0.00 34.13 36.39 2kfb s GLU 128 CO 0.92 -0.12 0.00 0.41 -0.56 0.00 0.00 175.26 175.92 2kfb n GLY 129 N 0.67 -0.84 3.81 -1.50 0.00 -1.24 -3.78 105.19 102.30 2kfb n GLY 129 Ca -0.18 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 -4.37 4.31 0.14 1.61 0.01 -1.26 -3.83 113.70 110.31 2kfb s SER 130 Ca 0.00 -1.51 -0.10 0.00 1.31 0.00 0.00 55.95 55.64 2kfb s SER 130 Cb 0.00 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.73 2kfb s SER 130 CO 0.00 -0.95 0.29 0.26 0.41 0.00 0.00 173.24 173.25 2kfb s TRP 131 N -2.84 0.20 -0.24 2.43 0.52 -0.49 -2.88 118.94 115.64 2kfb s TRP 131 Ca 0.16 -0.58 -0.03 0.00 0.02 0.00 0.00 56.10 55.67 2kfb s TRP 131 Cb 0.00 0.02 0.08 0.00 -1.15 0.00 0.00 33.47 32.42 2kfb s TRP 131 CO 0.09 -0.68 0.08 0.08 0.02 0.00 0.00 176.95 176.54 2kfb s VAL 132 N -3.90 0.35 0.32 4.03 1.01 -0.52 -0.22 120.40 121.46 2kfb s VAL 132 Ca 0.11 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.10 2kfb s VAL 132 Cb 0.03 -1.07 -0.09 0.00 0.00 0.00 0.00 36.38 35.24 2kfb s VAL 132 CO -0.05 -0.44 1.02 -0.76 0.00 0.00 0.00 175.10 174.86 2kfb s LEU 133 N 1.91 4.39 -0.08 3.92 1.43 -0.96 -2.74 118.68 126.55 2kfb s LEU 133 Ca 0.04 2.03 0.05 0.00 -1.03 0.00 0.00 54.13 55.22 2kfb s LEU 133 Cb -0.17 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 2kfb s LEU 133 CO -0.19 -0.18 -0.23 -0.31 0.23 0.00 0.00 176.35 175.67 2kfb s TYR 134 N -1.44 2.52 0.28 0.29 1.51 0.52 -2.05 117.35 118.99 2kfb s TYR 134 Ca 0.49 -0.81 -0.02 0.00 -1.01 0.00 0.00 57.07 55.73 2kfb s TYR 134 Cb -0.24 -1.66 0.61 0.00 -0.11 0.00 0.00 41.96 40.56 2kfb s TYR 134 CO 0.31 -0.27 1.61 1.49 -1.11 0.00 0.00 175.55 177.57 2kfb h GLU 135 N 6.31 0.07 -5.17 -0.62 4.81 -1.74 0.60 114.58 118.84 2kfb h GLU 135 Ca -0.27 -0.00 -0.41 0.00 -0.13 0.00 0.00 59.36 58.54 2kfb h GLU 135 Cb 1.20 -0.02 -0.14 0.00 0.63 0.00 0.00 28.75 30.42 2kfb h GLU 135 CO 0.48 0.05 -0.66 -0.48 -0.73 0.00 0.00 179.01 177.67 2kfb s LEU 136 N -10.88 2.24 1.13 1.64 0.05 -1.26 -2.70 118.68 108.90 2kfb s LEU 136 Ca -0.13 -1.23 -0.17 0.00 0.05 0.00 0.00 54.13 52.65 2kfb s LEU 136 Cb 0.26 -0.34 0.25 0.00 -2.05 0.00 0.00 46.19 44.31 2kfb s LEU 136 CO 0.77 -0.49 1.10 -0.55 -0.55 0.00 0.00 176.35 176.63 2kfb s SER 137 N -3.35 1.51 -1.62 1.48 0.15 -1.26 -3.67 113.70 106.94 2kfb s SER 137 Ca 0.29 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2kfb s SER 137 Cb 0.06 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 2kfb s SER 137 CO 0.10 -3.78 0.00 -3.20 1.20 0.00 0.00 173.24 167.56 2kfb n ASN 138 N -4.56 -5.15 -3.42 5.45 5.15 -1.03 -3.74 115.26 107.96 2kfb n ASN 138 Ca 0.10 0.38 -0.28 0.00 -0.60 0.00 0.00 54.58 54.18 2kfb n ASN 138 Cb 0.59 -4.00 0.02 0.00 -0.53 0.00 0.00 39.78 35.86 2kfb n ASN 138 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2kfb n TYR 139 N -2.45 -2.04 -2.80 1.20 4.01 -1.24 -4.91 117.16 108.92 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 0.55 -1.96 0.07 0.00 -0.31 0.00 0.00 39.34 37.69 2kfb n TYR 139 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2kfb n ARG 140 N -1.29 1.64 0.00 -0.72 5.12 -1.25 -5.10 116.66 115.06 2kfb n ARG 140 Ca -0.19 -3.02 0.00 0.00 -1.93 0.00 0.00 57.85 52.71 2kfb n ARG 140 Cb 0.61 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.73 2kfb n ARG 140 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2kfb n GLY 141 N -0.78 4.34 3.68 -0.13 0.00 -1.26 -4.89 105.19 106.15 2kfb n GLY 141 Ca 0.02 -0.65 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 2.95 0.23 -0.13 1.61 0.52 -1.26 -4.79 118.95 118.08 2kfb s ARG 142 Ca 0.00 0.36 -0.10 0.00 -0.52 0.00 0.00 55.73 55.48 2kfb s ARG 142 Cb 0.00 -1.73 0.04 0.00 0.52 0.00 0.00 34.95 33.78 2kfb s ARG 142 CO 0.00 -2.83 0.34 1.14 0.02 0.00 0.00 175.30 173.97 2kfb s GLN 143 N -5.09 0.35 -0.09 3.54 -2.07 -1.26 -2.81 119.66 112.25 2kfb s GLN 143 Ca 0.66 0.56 0.00 0.00 -1.82 0.00 0.00 55.36 54.76 2kfb s GLN 143 Cb -0.17 0.07 0.02 0.00 -1.09 0.00 0.00 33.01 31.85 2kfb s GLN 143 CO 0.57 -0.10 -0.08 0.71 -1.32 0.00 0.00 175.29 175.07 2kfb s TYR 144 N 0.70 1.35 -0.06 9.60 2.02 -0.87 -4.70 117.35 125.40 2kfb s TYR 144 Ca -0.04 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.77 2kfb s TYR 144 Cb -0.05 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.39 2kfb s TYR 144 CO -0.05 -0.40 1.00 -1.17 -1.57 0.00 0.00 175.55 173.36 2kfb s LEU 145 N 1.32 4.30 -0.30 -1.29 2.96 -1.26 -2.26 118.68 122.16 2kfb s LEU 145 Ca -0.03 1.60 0.01 0.00 -0.22 0.00 0.00 54.13 55.49 2kfb s LEU 145 Cb -0.14 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.06 2kfb s LEU 145 CO -0.04 -0.37 -0.02 -0.76 -1.32 0.00 0.00 176.35 173.84 2kfb s LEU 146 N 1.57 3.94 0.83 -0.68 1.43 0.69 -4.95 118.68 121.50 2kfb s LEU 146 Ca 0.50 -1.50 -0.12 0.00 -1.03 0.00 0.00 54.13 51.98 2kfb s LEU 146 Cb -0.20 -1.64 0.10 0.00 0.03 0.00 0.00 46.19 44.48 2kfb s LEU 146 CO 0.22 -0.27 1.19 -0.04 0.23 0.00 0.00 176.35 177.68 2kfb s MET 147 N 1.13 1.74 -0.17 1.70 -1.94 -1.26 -1.40 119.30 119.11 2kfb s MET 147 Ca -0.04 -0.03 -0.29 0.00 -1.71 0.00 0.00 55.69 53.62 2kfb s MET 147 Cb -0.20 -1.96 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 2kfb s MET 147 CO -0.04 -1.71 1.71 -2.14 -0.01 0.00 0.00 175.02 172.84 2kfb s PRO 148 N -5.60 3.82 0.00 2.03 0.02 -1.25 -4.72 135.00 129.31 2kfb s PRO 148 Ca 0.64 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.53 2kfb s PRO 148 Cb -0.10 -4.07 0.00 0.00 0.02 0.00 0.00 34.50 30.35 2kfb s PRO 148 CO 0.49 -1.27 0.00 0.41 -0.33 0.00 0.00 177.00 176.30 2kfb n GLY 149 N 4.67 -0.73 3.00 0.52 0.00 -0.83 -5.01 105.19 106.81 2kfb n GLY 149 Ca 0.20 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 2.13 -0.14 1.61 -4.77 -1.26 -2.58 116.67 107.66 2kfb s ASP 150 Ca 0.00 -0.35 0.01 0.00 -3.30 0.00 0.00 52.55 48.91 2kfb s ASP 150 Cb 0.00 -0.92 -0.01 0.00 -1.09 0.00 0.00 42.92 40.90 2kfb s ASP 150 CO 0.00 -0.02 -0.15 -0.31 0.70 0.00 0.00 175.17 175.38 2kfb s TYR 151 N 1.11 2.77 -0.70 2.11 1.51 -0.47 -4.98 117.35 118.70 2kfb s TYR 151 Ca -0.05 -0.89 0.07 0.00 -1.01 0.00 0.00 57.07 55.18 2kfb s TYR 151 Cb -0.14 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 2kfb s TYR 151 CO -0.02 -0.37 0.58 0.54 -1.11 0.00 0.00 175.55 175.17 2kfb n ARG 152 N 3.79 1.50 -3.69 -0.62 1.74 -1.26 -2.40 116.66 115.72 2kfb n ARG 152 Ca -0.19 -0.64 -0.10 0.00 -0.77 0.00 0.00 57.85 56.16 2kfb n ARG 152 Cb 0.52 -1.03 -0.03 0.00 -1.02 0.00 0.00 32.46 30.90 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 -0.89 1.42 0.47 5.56 1.70 -1.19 -2.73 118.95 123.29 2kfb s ARG 153 Ca 0.06 -0.80 0.26 0.00 -0.47 0.00 0.00 55.73 54.79 2kfb s ARG 153 Cb 0.05 0.55 0.75 0.00 -0.57 0.00 0.00 34.95 35.74 2kfb s ARG 153 CO 0.14 -0.61 1.76 0.10 -1.08 0.00 0.00 175.30 175.60 2kfb h TYR 154 N 2.13 0.00 0.00 5.89 -0.00 -1.85 -3.14 116.97 120.00 2kfb h TYR 154 Ca -0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 58.73 58.44 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 0.34 0.06 -0.05 1.96 -0.00 0.00 0.00 178.16 180.47 2kfb h GLN 155 N 0.00 0.00 -0.54 0.10 4.20 -1.94 -2.83 115.11 114.10 2kfb h GLN 155 Ca -0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2kfb h GLN 155 Cb 0.82 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.50 2kfb h GLN 155 CO 0.01 0.05 -0.20 -0.44 -0.67 0.00 0.00 178.83 177.58 2kfb h ASP 156 N 0.00 -0.70 -0.57 1.46 3.32 -1.98 0.17 116.42 118.12 2kfb h ASP 156 Ca -0.00 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.23 2kfb h ASP 156 Cb 0.32 0.41 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2kfb h ASP 156 CO 0.01 -0.23 0.00 -2.67 -1.72 0.00 0.00 179.24 174.63 2kfb n TRP 157 N -5.41 2.04 -3.25 4.55 2.14 -1.17 -4.97 117.44 111.36 2kfb n TRP 157 Ca 0.05 -0.71 -0.15 0.00 2.07 0.00 0.00 57.50 58.76 2kfb n TRP 157 Cb 0.32 -0.50 0.01 0.00 -0.81 0.00 0.00 31.31 30.33 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 0.65 -1.03 0.45 -1.67 0.00 0.61 -4.97 105.19 99.23 2kfb n GLY 158 Ca 0.27 0.83 -0.03 0.00 0.00 0.00 0.00 46.02 47.10 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 -1.31 0.02 0.00 4.61 0.00 -1.08 -5.01 120.51 117.74 2kfb n ALA 159 Ca -0.06 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2kfb n ALA 159 Cb 0.57 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 -0.19 0.00 5.66 -1.26 -4.93 114.28 111.99 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 0.07 -0.69 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 -1.98 0.00 0.00 1.09 5.15 -1.26 -5.01 115.26 113.25 2kfb n ASN 161 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2kfb n ASN 161 Cb 0.42 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.67 2kfb n ASN 161 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfb n ALA 162 N 0.00 0.00 -1.64 5.20 0.00 -1.26 -4.88 120.51 117.93 2kfb n ALA 162 Ca 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 53.44 52.82 2kfb n ALA 162 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2kfb n ALA 162 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2kfb n ARG 163 N -1.66 0.29 -4.46 0.00 1.85 -1.26 -2.80 116.66 108.62 2kfb n ARG 163 Ca 0.00 0.10 -0.23 0.00 -1.00 0.00 0.00 57.85 56.72 2kfb n ARG 163 Cb 0.00 -1.65 -0.10 0.00 -1.05 0.00 0.00 32.46 29.66 2kfb n ARG 163 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2kfb s VAL 164 N 1.79 2.39 0.00 8.89 1.01 -1.02 -4.46 120.40 129.01 2kfb s VAL 164 Ca 0.97 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 60.57 2kfb s VAL 164 Cb -1.30 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 32.79 2kfb s VAL 164 CO 0.67 -0.41 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2kfb n GLY 165 N -0.60 0.00 3.83 4.51 0.00 0.21 -4.74 105.19 108.39 2kfb n GLY 165 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.90 2kfb n GLY 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfb s SER 166 N -2.15 -0.18 -0.13 1.61 0.01 -1.09 -2.04 113.70 109.74 2kfb s SER 166 Ca 0.00 -0.66 -0.20 0.00 1.31 0.00 0.00 55.95 56.40 2kfb s SER 166 Cb 0.00 0.68 0.05 0.00 0.21 0.00 0.00 66.02 66.96 2kfb s SER 166 CO 0.00 -1.28 0.50 -1.48 0.41 0.00 0.00 173.24 171.39 2kfb s LEU 167 N -2.98 0.07 0.05 2.44 2.34 -0.98 -0.35 118.68 119.28 2kfb s LEU 167 Ca 0.13 0.77 0.03 0.00 0.06 0.00 0.00 54.13 55.11 2kfb s LEU 167 Cb -0.05 1.81 -0.03 0.00 -0.56 0.00 0.00 46.19 47.37 2kfb s LEU 167 CO 0.07 -0.32 -0.09 0.00 -1.06 0.00 0.00 176.35 174.94 2kfb s ARG 168 N -0.37 0.61 0.42 1.48 1.70 -1.11 0.03 118.95 121.72 2kfb s ARG 168 Ca -0.05 -0.83 -0.23 0.00 -0.47 0.00 0.00 55.73 54.16 2kfb s ARG 168 Cb -0.03 -0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 33.82 2kfb s ARG 168 CO 0.03 0.08 1.01 -0.98 -1.08 0.00 0.00 175.30 174.37 2kfb s ARG 169 N -1.69 4.14 -1.36 3.89 1.04 -1.26 -1.44 118.95 122.28 2kfb s ARG 169 Ca -0.07 1.36 -0.10 0.00 -1.04 0.00 0.00 55.73 55.88 2kfb s ARG 169 Cb -0.10 -2.38 0.11 0.00 -2.04 0.00 0.00 34.95 30.55 2kfb s ARG 169 CO 0.01 -0.13 2.09 1.33 -0.04 0.00 0.00 175.30 178.56 2kfb n VAL 170 N -0.34 4.19 -4.57 4.99 0.24 -1.14 -4.91 118.33 116.78 2kfb n VAL 170 Ca 0.06 -3.90 -0.26 0.00 -2.04 0.00 0.00 64.34 58.20 2kfb n VAL 170 Cb 0.51 -2.41 -0.17 0.00 -1.47 0.00 0.00 33.84 30.30 2kfb n VAL 170 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2kfb s ILE 171 N 1.11 1.30 0.31 1.34 1.09 -1.26 -4.66 121.20 120.42 2kfb s ILE 171 Ca 0.45 -0.55 0.03 0.00 -1.10 0.00 0.00 60.65 59.47 2kfb s ILE 171 Cb 0.12 -1.18 0.13 0.00 -1.06 0.00 0.00 42.46 40.47 2kfb s ILE 171 CO -0.04 0.39 1.81 -2.24 -0.10 0.00 0.00 174.94 174.77 2kfb h ASP 172 N 7.13 0.54 -3.38 3.58 2.03 -1.91 -3.44 116.42 120.97 2kfb h ASP 172 Ca -0.30 -0.13 -0.41 0.00 -0.73 0.00 0.00 57.03 55.47 2kfb h ASP 172 Cb 1.19 -0.14 0.20 0.00 -0.83 0.00 0.00 39.33 39.74 2kfb h ASP 172 CO 0.47 0.66 0.05 -0.36 -1.03 0.00 0.00 179.24 179.03 2kfb s PHE 173 N -4.85 0.44 0.00 4.15 0.08 -1.26 -4.74 117.98 111.80 2kfb s PHE 173 Ca -0.08 0.64 0.00 0.00 0.12 0.00 0.00 56.93 57.62 2kfb s PHE 173 Cb 0.15 -3.23 0.00 0.00 -0.57 0.00 0.00 43.02 39.37 2kfb s PHE 173 CO 0.78 -4.11 0.00 -1.13 -0.10 0.00 0.00 175.22 170.66