#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfy s MET 2 N 0.00 1.29 0.00 0.03 1.00 -1.26 -5.07 119.30 115.29 2kfy s MET 2 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 55.69 54.22 2kfy s MET 2 Cb 0.00 0.34 0.00 0.00 0.00 0.00 0.00 34.83 35.17 2kfy s MET 2 CO 0.00 -0.46 0.61 -0.11 0.00 0.00 0.00 175.02 175.06 2kfy n LEU 3 N -0.29 0.00 -2.44 -0.03 -0.00 -1.26 -4.93 117.00 108.05 2kfy n LEU 3 Ca -0.00 -0.58 -0.03 0.00 -0.00 0.00 0.00 56.01 55.39 2kfy n LEU 3 Cb 0.64 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 44.12 2kfy n LEU 3 CO 0.29 0.31 0.53 0.61 -0.00 0.00 0.00 177.39 179.12 2kfy n GLY 4 N 0.00 0.46 0.00 -3.96 0.00 -1.26 -4.99 105.19 95.44 2kfy n GLY 4 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.05 2kfy n GLY 4 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kfy n PRO 5 N -0.70 0.68 -3.98 1.61 -0.04 -1.26 -4.79 135.00 126.53 2kfy n PRO 5 Ca -0.13 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.24 2kfy n PRO 5 Cb 0.73 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.64 2kfy n PRO 5 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2kfy s GLU 6 N -2.00 1.51 0.00 0.54 -1.05 -1.26 -4.95 118.70 111.49 2kfy s GLU 6 Ca 0.32 -1.22 0.00 0.00 -0.15 0.00 0.00 54.97 53.92 2kfy s GLU 6 Cb 0.15 0.47 0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2kfy s GLU 6 CO 0.25 -0.63 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2kfy n GLY 7 N -0.37 -1.62 0.45 -3.83 0.00 -1.26 -5.04 105.19 93.53 2kfy n GLY 7 Ca -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2kfy n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfy n GLY 8 N -0.22 0.96 1.44 -0.02 0.00 -1.26 -4.39 105.19 101.70 2kfy n GLY 8 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2kfy n GLY 8 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfy n GLU 9 N 0.00 1.33 -3.68 1.61 1.02 -1.26 -4.84 120.64 114.82 2kfy n GLU 9 Ca 0.00 -0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 56.31 2kfy n GLU 9 Cb 0.51 -1.29 -0.03 0.00 -0.02 0.00 0.00 31.44 30.61 2kfy n GLU 9 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2kfy s GLY 10 N 0.70 -0.21 -0.53 0.62 0.00 -1.25 -4.93 107.32 101.71 2kfy s GLY 10 Ca 0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 44.72 44.75 2kfy s GLY 10 CO 0.02 -0.15 2.71 0.69 0.00 0.00 0.00 173.10 176.37 2kfy n PHE 11 N -0.36 1.73 -4.21 1.90 3.72 -1.26 -4.62 117.46 114.35 2kfy n PHE 11 Ca -0.11 -2.01 -0.19 0.00 -0.05 0.00 0.00 57.45 55.09 2kfy n PHE 11 Cb 0.63 -1.40 -0.12 0.00 -0.94 0.00 0.00 39.48 37.65 2kfy n PHE 11 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2kfy s VAL 12 N -2.34 1.28 0.07 -4.37 1.01 -1.26 -1.86 120.40 112.93 2kfy s VAL 12 Ca 0.58 -1.50 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2kfy s VAL 12 Cb 0.37 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2kfy s VAL 12 CO -0.23 -0.28 -0.06 0.68 0.00 0.00 0.00 175.10 175.22 2kfy s VAL 13 N -1.61 0.51 0.33 2.92 -7.23 -0.80 -1.24 120.40 113.28 2kfy s VAL 13 Ca 0.03 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.44 2kfy s VAL 13 Cb -0.08 -1.39 -0.05 0.00 0.56 0.00 0.00 36.38 35.42 2kfy s VAL 13 CO 0.03 -0.81 0.61 -0.54 -0.31 0.00 0.00 175.10 174.08 2kfy s LYS 14 N -3.37 3.66 -0.03 4.82 1.02 0.81 -0.76 119.74 125.89 2kfy s LYS 14 Ca 0.06 0.11 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 2kfy s LYS 14 Cb 0.03 -2.58 0.02 0.00 -0.52 0.00 0.00 37.83 34.78 2kfy s LYS 14 CO -0.05 0.14 0.05 -1.17 -0.92 0.00 0.00 175.35 173.40 2kfy s LEU 15 N -3.70 1.31 0.03 3.17 1.98 -0.52 -2.76 118.68 118.18 2kfy s LEU 15 Ca 0.46 0.10 -0.05 0.00 -2.89 0.00 0.00 54.13 51.75 2kfy s LEU 15 Cb -0.11 0.09 -0.01 0.00 0.66 0.00 0.00 46.19 46.82 2kfy s LEU 15 CO 0.31 -0.09 0.09 -0.13 -1.89 0.00 0.00 176.35 174.64 2kfy s ARG 16 N 0.69 0.55 0.00 1.98 0.52 -0.49 -1.10 118.95 121.10 2kfy s ARG 16 Ca -0.06 -0.70 0.00 0.00 -0.52 0.00 0.00 55.73 54.46 2kfy s ARG 16 Cb -0.08 0.21 0.00 0.00 0.52 0.00 0.00 34.95 35.61 2kfy s ARG 16 CO -0.02 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 175.57 2kfy n GLY 17 N 0.93 0.81 1.54 -3.53 0.00 -1.26 -0.64 105.19 103.05 2kfy n GLY 17 Ca -0.20 -2.01 0.02 0.00 0.00 0.00 0.00 46.02 43.84 2kfy n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kfy n LEU 18 N 0.00 -1.58 -4.56 0.99 4.77 -1.23 -4.63 117.00 110.75 2kfy n LEU 18 Ca 0.00 2.78 -0.18 0.00 -0.03 0.00 0.00 56.01 58.57 2kfy n LEU 18 Cb 0.00 -3.10 -0.06 0.00 -2.33 0.00 0.00 43.42 37.93 2kfy n LEU 18 CO 0.00 -0.99 1.26 -2.16 -1.33 0.00 0.00 177.39 174.17 2kfy s PRO 19 N -5.27 1.95 0.00 3.23 0.04 -1.26 -4.02 135.00 129.67 2kfy s PRO 19 Ca 0.00 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2kfy s PRO 19 Cb 0.00 -4.89 0.00 0.00 0.04 0.00 0.00 34.50 29.65 2kfy s PRO 19 CO 0.00 -4.06 0.00 0.91 0.04 0.00 0.00 177.00 173.89 2kfy n TRP 20 N 16.93 0.00 -3.69 0.56 5.03 -1.26 -4.86 117.44 130.15 2kfy n TRP 20 Ca 0.44 0.00 -0.10 0.00 3.03 0.00 0.00 57.50 60.87 2kfy n TRP 20 Cb 0.45 -1.34 -0.05 0.00 -1.03 0.00 0.00 31.31 29.33 2kfy n TRP 20 CO 0.00 0.00 0.00 -1.12 -0.03 0.00 0.00 177.69 176.54 2kfy s SER 21 N -1.66 -0.15 0.27 -0.99 0.01 -1.26 -3.54 113.70 106.38 2kfy s SER 21 Ca 0.00 -0.40 -0.21 0.00 1.31 0.00 0.00 55.95 56.65 2kfy s SER 21 Cb 0.00 0.44 0.05 0.00 0.21 0.00 0.00 66.02 66.72 2kfy s SER 21 CO 0.00 -0.83 0.83 0.00 0.41 0.00 0.00 173.24 173.65 2kfy s SER 23 N -3.02 -0.00 0.53 0.00 1.04 -1.26 -5.04 113.70 105.95 2kfy s SER 23 Ca 0.14 -0.90 0.34 0.00 0.48 0.00 0.00 55.95 56.01 2kfy s SER 23 Cb -0.04 0.47 1.56 0.00 0.10 0.00 0.00 66.02 68.11 2kfy s SER 23 CO 0.07 -0.96 2.02 -0.37 0.98 0.00 0.00 173.24 174.99 2kfy h VAL 24 N 2.46 0.00 0.00 5.02 -1.51 -1.98 -2.55 116.25 117.69 2kfy h VAL 24 Ca -0.31 -0.33 -0.21 0.00 -1.23 0.00 0.00 66.70 64.63 2kfy h VAL 24 Cb 1.24 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.63 2kfy h VAL 24 CO 0.45 0.00 -1.16 -0.33 -1.23 0.00 0.00 177.57 175.30 2kfy h GLU 25 N 0.00 0.00 0.11 5.19 5.08 -1.96 -2.94 114.58 120.05 2kfy h GLU 25 Ca 0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2kfy h GLU 25 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.60 2kfy h GLU 25 CO 0.00 0.70 -1.19 -0.44 -1.00 0.00 0.00 179.01 177.08 2kfy h ASP 26 N 0.00 0.52 -0.16 1.42 3.32 -1.88 -2.78 116.42 116.87 2kfy h ASP 26 Ca -0.10 -0.51 -0.18 0.00 0.02 0.00 0.00 57.03 56.25 2kfy h ASP 26 Cb 1.75 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 41.13 2kfy h ASP 26 CO 0.10 1.37 -0.58 1.62 -1.72 0.00 0.00 179.24 180.03 2kfy h VAL 27 N 0.13 1.29 0.00 -1.35 3.04 -1.60 -2.15 116.25 115.62 2kfy h VAL 27 Ca -0.14 -1.79 -0.05 0.00 -1.01 0.00 0.00 66.70 63.71 2kfy h VAL 27 Cb 1.89 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.88 2kfy h VAL 27 CO 0.20 0.57 -0.24 0.06 -1.01 0.00 0.00 177.57 177.15 2kfy h GLN 28 N 0.57 0.00 0.00 4.17 3.07 -1.61 -2.00 115.11 119.31 2kfy h GLN 28 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.67 2kfy h GLN 28 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.72 2kfy h GLN 28 CO 0.12 0.24 -0.34 -0.97 0.09 0.00 0.00 178.83 177.97 2kfy h ASN 29 N 0.00 0.00 0.31 0.06 -1.24 -1.20 -3.33 115.58 110.18 2kfy h ASN 29 Ca -0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.68 2kfy h ASN 29 Cb 0.73 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.74 2kfy h ASN 29 CO 0.03 0.34 -1.91 0.33 -1.29 0.00 0.00 177.43 174.93 2kfy n PHE 30 N -3.50 0.86 -1.75 0.67 7.35 -0.83 -3.99 117.46 116.26 2kfy n PHE 30 Ca -0.00 0.27 -0.33 0.00 -0.76 0.00 0.00 57.45 56.63 2kfy n PHE 30 Cb 0.49 -1.14 -0.03 0.00 0.35 0.00 0.00 39.48 39.15 2kfy n PHE 30 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2kfy n LEU 31 N -3.11 7.09 0.00 -2.13 7.99 -0.81 -4.77 117.00 121.25 2kfy n LEU 31 Ca -0.24 -4.46 0.00 0.00 -0.01 0.00 0.00 56.01 51.30 2kfy n LEU 31 Cb 1.06 -1.25 0.02 0.00 -0.11 0.00 0.00 43.42 43.14 2kfy n LEU 31 CO 0.43 1.85 0.15 -1.54 -1.51 0.00 0.00 177.39 176.77 2kfy n SER 32 N 0.94 0.00 0.00 -1.43 3.41 -1.26 -1.06 113.62 114.22 2kfy n SER 32 Ca 0.53 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2kfy n SER 32 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2kfy n SER 32 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2kfy n ASP 33 N -0.54 0.95 -3.58 4.04 8.00 -1.26 -5.09 116.55 119.07 2kfy n ASP 33 Ca 0.00 -1.34 -0.21 0.00 0.71 0.00 0.00 54.79 53.96 2kfy n ASP 33 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 2kfy n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kfy s THR 35 N -2.46 0.59 -0.18 0.00 2.01 -1.26 -5.04 115.64 109.29 2kfy s THR 35 Ca 0.07 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2kfy s THR 35 Cb 0.00 -0.61 0.06 0.00 0.01 0.00 0.00 72.50 71.97 2kfy s THR 35 CO 0.05 0.24 2.28 -0.38 -0.69 0.00 0.00 174.62 176.12 2kfy n ILE 36 N 4.08 2.59 0.00 1.82 -0.00 -1.26 -3.13 119.36 123.46 2kfy n ILE 36 Ca -0.24 -1.37 0.00 0.00 -0.00 0.00 0.00 62.75 61.14 2kfy n ILE 36 Cb 0.51 -1.50 0.00 0.00 -0.00 0.00 0.00 39.64 38.65 2kfy n ILE 36 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2kfy n HIS 37 N 1.07 0.00 0.00 1.39 -0.00 -1.19 -2.71 115.22 113.78 2kfy n HIS 37 Ca 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.95 2kfy n HIS 37 Cb 0.59 -0.53 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 2kfy n HIS 37 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2kfy n ASP 38 N 0.00 0.00 0.00 0.26 8.00 -1.26 -4.89 116.55 118.66 2kfy n ASP 38 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kfy n ASP 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kfy n ASP 38 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfy n GLY 39 N -0.66 3.55 0.12 0.44 0.00 -1.10 -4.74 105.19 102.81 2kfy n GLY 39 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2kfy n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kfy n ALA 40 N 0.00 1.23 -1.27 4.61 0.00 -1.26 -4.79 120.51 119.03 2kfy n ALA 40 Ca 0.00 -0.52 0.05 0.00 0.00 0.00 0.00 53.44 52.97 2kfy n ALA 40 Cb 0.00 -0.10 0.07 0.00 0.00 0.00 0.00 19.45 19.42 2kfy n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kfy n ALA 41 N 0.00 2.04 -0.78 0.00 0.00 -1.26 -4.64 120.51 115.87 2kfy n ALA 41 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 53.44 51.71 2kfy n ALA 41 Cb 0.54 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.64 2kfy n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfy n GLY 42 N -0.73 -1.13 3.82 0.00 0.00 -1.23 -4.82 105.19 101.09 2kfy n GLY 42 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 2kfy n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kfy s VAL 43 N -0.16 3.96 0.05 1.61 0.11 -1.26 -2.36 120.40 122.35 2kfy s VAL 43 Ca 0.00 0.64 -0.15 0.00 -2.93 0.00 0.00 61.98 59.54 2kfy s VAL 43 Cb 0.00 -3.36 0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2kfy s VAL 43 CO 0.00 -0.83 0.34 -1.00 -3.33 0.00 0.00 175.10 170.28 2kfy s HIS 44 N -3.04 -0.15 0.21 1.54 3.76 -1.09 -4.94 115.29 111.58 2kfy s HIS 44 Ca 0.58 0.02 -0.07 0.00 -0.15 0.00 0.00 55.06 55.44 2kfy s HIS 44 Cb -0.14 0.14 -0.02 0.00 1.11 0.00 0.00 32.58 33.67 2kfy s HIS 44 CO 0.55 -0.54 0.29 -0.06 -0.85 0.00 0.00 174.74 174.13 2kfy s PHE 45 N -2.68 0.69 -0.01 1.40 0.08 -1.26 -2.98 117.98 113.21 2kfy s PHE 45 Ca -0.04 -1.00 0.00 0.00 0.12 0.00 0.00 56.93 56.02 2kfy s PHE 45 Cb -0.00 -0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.29 2kfy s PHE 45 CO -0.04 -0.79 -0.00 0.42 -0.10 0.00 0.00 175.22 174.71 2kfy s ILE 46 N -4.06 0.11 0.33 0.64 1.01 -0.35 -4.89 121.20 113.99 2kfy s ILE 46 Ca 0.28 0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.79 2kfy s ILE 46 Cb 0.03 -0.16 0.05 0.00 0.01 0.00 0.00 42.46 42.40 2kfy s ILE 46 CO 0.08 0.08 0.83 -0.72 0.00 0.00 0.00 174.94 175.21 2kfy s TYR 47 N 0.53 0.06 0.14 3.97 1.13 -1.26 -2.67 117.35 119.25 2kfy s TYR 47 Ca -0.05 -0.66 -0.05 0.00 -1.41 0.00 0.00 57.07 54.91 2kfy s TYR 47 Cb -0.07 0.80 -0.03 0.00 -1.10 0.00 0.00 41.96 41.56 2kfy s TYR 47 CO -0.01 -1.40 0.15 0.95 -2.51 0.00 0.00 175.55 172.73 2kfy s THR 48 N -2.54 0.09 -2.00 -3.49 -4.23 -1.26 -4.78 115.64 97.43 2kfy s THR 48 Ca 0.16 -1.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 2kfy s THR 48 Cb -0.05 -1.92 0.24 0.00 1.34 0.00 0.00 72.50 72.11 2kfy s THR 48 CO 0.10 -0.42 1.17 -2.11 -0.54 0.00 0.00 174.62 172.82 2kfy n ARG 49 N -0.14 0.81 -0.08 3.99 -4.01 -1.26 -2.84 116.66 113.13 2kfy n ARG 49 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 2kfy n ARG 49 Cb 0.63 -1.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.89 2kfy n ARG 49 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kfy n GLU 50 N -0.66 0.24 0.00 2.89 1.02 -1.26 -5.09 120.64 117.78 2kfy n GLU 50 Ca 0.06 -0.69 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 2kfy n GLU 50 Cb 0.03 -0.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 2kfy n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfy n GLY 51 N -0.06 5.42 3.57 0.62 0.00 -1.13 -5.20 105.19 108.41 2kfy n GLY 51 Ca 0.00 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 2kfy n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kfy s ARG 52 N 4.69 1.78 0.00 1.61 3.52 -1.26 -4.80 118.95 124.49 2kfy s ARG 52 Ca 0.00 -1.49 0.02 0.00 -0.13 0.00 0.00 55.73 54.13 2kfy s ARG 52 Cb 0.00 0.48 0.10 0.00 -1.56 0.00 0.00 34.95 33.96 2kfy s ARG 52 CO 0.00 -0.75 0.39 1.04 -0.81 0.00 0.00 175.30 175.16 2kfy n GLN 53 N -0.47 0.25 0.00 5.12 1.13 -1.26 -3.46 117.38 118.69 2kfy n GLN 53 Ca -0.01 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.12 2kfy n GLN 53 Cb 0.62 -1.10 0.42 0.00 0.11 0.00 0.00 30.24 30.28 2kfy n GLN 53 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2kfy n SER 54 N -0.60 0.00 0.00 1.08 2.88 -1.23 -2.96 113.62 112.78 2kfy n SER 54 Ca 0.01 -0.72 0.07 0.00 -1.33 0.00 0.00 58.87 56.91 2kfy n SER 54 Cb 0.01 0.00 0.37 0.00 -0.75 0.00 0.00 64.21 63.84 2kfy n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfy n GLY 55 N 0.14 -0.77 6.81 0.46 0.00 -1.09 -4.99 105.19 105.74 2kfy n GLY 55 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kfy n GLY 55 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kfy n GLU 56 N -1.28 0.00 -4.05 1.61 -0.58 -1.16 -4.67 120.64 110.52 2kfy n GLU 56 Ca 0.07 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.68 2kfy n GLU 56 Cb 0.12 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.95 2kfy n GLU 56 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kfy s ALA 57 N -1.03 0.49 0.18 0.62 0.00 -0.25 -1.22 121.76 120.56 2kfy s ALA 57 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2kfy s ALA 57 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 23.12 24.17 2kfy s ALA 57 CO 0.00 -0.82 0.07 -0.06 0.00 0.00 0.00 175.76 174.95 2kfy s PHE 58 N -3.06 1.15 -0.19 0.00 0.08 -1.16 -1.44 117.98 113.36 2kfy s PHE 58 Ca 0.28 -1.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.08 2kfy s PHE 58 Cb -0.01 -0.63 0.09 0.00 -0.57 0.00 0.00 43.02 41.90 2kfy s PHE 58 CO 0.18 -0.44 0.24 0.08 -0.10 0.00 0.00 175.22 175.18 2kfy s VAL 59 N -3.92 -0.36 0.52 -0.44 1.01 0.06 -2.66 120.40 114.61 2kfy s VAL 59 Ca 0.30 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 2kfy s VAL 59 Cb 0.07 -0.63 -0.07 0.00 0.00 0.00 0.00 36.38 35.75 2kfy s VAL 59 CO 0.07 -0.13 1.05 -1.61 0.00 0.00 0.00 175.10 174.48 2kfy s GLU 60 N 2.36 3.63 0.34 2.72 2.02 -0.99 -1.90 118.70 126.88 2kfy s GLU 60 Ca 0.06 1.35 0.03 0.00 0.02 0.00 0.00 54.97 56.44 2kfy s GLU 60 Cb -0.15 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 2kfy s GLU 60 CO -0.11 -0.57 0.12 1.28 0.02 0.00 0.00 175.26 175.99 2kfy n LEU 61 N -1.26 0.00 -0.04 1.80 4.77 -0.78 -3.16 117.00 118.33 2kfy n LEU 61 Ca 0.09 -2.59 -0.14 0.00 -0.03 0.00 0.00 56.01 53.35 2kfy n LEU 61 Cb 0.52 0.83 -0.14 0.00 -2.33 0.00 0.00 43.42 42.31 2kfy n LEU 61 CO 0.42 -0.40 -0.83 0.61 -1.33 0.00 0.00 177.39 175.86 2kfy n GLY 62 N -0.25 -0.79 3.63 -0.72 0.00 -1.18 -4.30 105.19 101.58 2kfy n GLY 62 Ca -0.05 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 2kfy n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfy s SER 63 N -6.31 -0.02 0.55 1.61 0.01 -1.26 -5.03 113.70 103.24 2kfy s SER 63 Ca -0.15 -0.94 0.22 0.00 1.31 0.00 0.00 55.95 56.38 2kfy s SER 63 Cb 0.07 0.63 1.47 0.00 0.21 0.00 0.00 66.02 68.41 2kfy s SER 63 CO 0.78 -1.22 2.17 -0.08 0.41 0.00 0.00 173.24 175.30 2kfy h GLU 64 N 2.19 0.00 0.00 12.44 4.81 -1.95 -1.56 114.58 130.51 2kfy h GLU 64 Ca -0.26 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.88 2kfy h GLU 64 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2kfy h GLU 64 CO 0.34 0.00 -0.43 0.22 -0.73 0.00 0.00 179.01 178.41 2kfy h ASP 65 N 0.00 0.00 0.24 1.04 3.58 -2.00 -2.48 116.42 116.80 2kfy h ASP 65 Ca 0.02 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.22 2kfy h ASP 65 Cb 0.10 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.16 2kfy h ASP 65 CO -0.00 0.43 -1.05 0.44 -2.88 0.00 0.00 179.24 176.18 2kfy h ASP 66 N 0.00 0.69 -0.46 2.28 3.32 -1.66 -2.62 116.42 117.97 2kfy h ASP 66 Ca -0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 57.03 56.33 2kfy h ASP 66 Cb 0.86 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.19 2kfy h ASP 66 CO 0.06 1.39 -0.26 1.62 -1.72 0.00 0.00 179.24 180.33 2kfy h VAL 67 N 0.27 1.27 -0.61 -1.35 3.04 -1.41 -0.94 116.25 116.52 2kfy h VAL 67 Ca -0.12 -1.43 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 2kfy h VAL 67 Cb 1.71 1.18 -0.03 0.00 -2.01 0.00 0.00 31.29 32.14 2kfy h VAL 67 CO 0.19 0.49 0.33 0.11 -1.01 0.00 0.00 177.57 177.68 2kfy h LYS 68 N 0.84 0.86 0.00 4.17 1.57 -1.50 -2.72 116.57 119.79 2kfy h LYS 68 Ca 0.10 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 2kfy h LYS 68 Cb 0.84 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2kfy h LYS 68 CO 0.07 0.66 -0.38 0.52 -0.57 0.00 0.00 179.45 179.76 2kfy h MET 69 N 0.83 0.00 0.00 3.15 2.86 -1.24 -2.65 114.93 117.88 2kfy h MET 69 Ca 0.21 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.74 2kfy h MET 69 Cb 0.06 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 2kfy h MET 69 CO -0.03 0.38 -0.56 0.00 1.06 0.00 0.00 176.91 177.76 2kfy h ALA 70 N 1.62 1.07 0.00 6.32 0.00 -0.92 -2.99 119.26 124.36 2kfy h ALA 70 Ca -0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kfy h ALA 70 Cb 0.80 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2kfy h ALA 70 CO 0.05 0.69 0.00 -0.07 0.00 0.00 0.00 179.25 179.92 2kfy h LEU 71 N 0.00 0.00 0.00 0.00 3.38 -1.17 -3.23 115.31 114.28 2kfy h LEU 71 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kfy h LEU 71 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kfy h LEU 71 CO 0.07 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.89 2kfy n LYS 72 N -2.82 0.05 -0.90 1.13 4.76 -1.11 -2.41 118.16 116.85 2kfy n LYS 72 Ca 0.04 0.30 0.04 0.00 -2.87 0.00 0.00 58.31 55.82 2kfy n LYS 72 Cb 0.46 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2kfy n LYS 72 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2kfy n LYS 73 N -1.42 0.44 0.08 1.97 0.00 -1.22 -4.94 118.16 113.07 2kfy n LYS 73 Ca 0.03 -2.04 0.01 0.00 -0.00 0.00 0.00 58.31 56.31 2kfy n LYS 73 Cb 0.09 -0.60 0.07 0.00 -0.00 0.00 0.00 35.03 34.59 2kfy n LYS 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2kfy n ASP 74 N -0.15 0.07 -0.32 -5.58 5.68 -1.01 -1.41 116.55 113.83 2kfy n ASP 74 Ca 0.08 0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.61 2kfy n ASP 74 Cb 0.89 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.71 2kfy n ASP 74 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 2kfy n ARG 75 N -1.49 0.00 0.00 0.11 0.63 -1.25 -1.36 116.66 113.29 2kfy n ARG 75 Ca -0.00 -0.58 0.00 0.00 -0.92 0.00 0.00 57.85 56.35 2kfy n ARG 75 Cb 0.49 -0.35 0.00 0.00 0.45 0.00 0.00 32.46 33.04 2kfy n ARG 75 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kfy n GLU 76 N 0.00 0.77 -3.96 -0.14 -0.58 -0.50 -4.52 120.64 111.71 2kfy n GLU 76 Ca 0.00 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.65 2kfy n GLU 76 Cb 0.59 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.37 2kfy n GLU 76 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2kfy s SER 77 N -1.42 0.25 0.00 1.62 1.04 -1.26 -0.57 113.70 113.36 2kfy s SER 77 Ca 0.00 -0.69 0.24 0.00 0.48 0.00 0.00 55.95 55.98 2kfy s SER 77 Cb 0.00 0.25 1.16 0.00 0.10 0.00 0.00 66.02 67.52 2kfy s SER 77 CO 0.00 -0.59 1.80 0.23 0.98 0.00 0.00 173.24 175.67 2kfy n MET 78 N 0.38 0.20 0.00 4.02 2.81 -0.87 -4.84 117.12 118.84 2kfy n MET 78 Ca -0.17 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 2kfy n MET 78 Cb 0.60 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 2kfy n MET 78 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2kfy n GLY 79 N 0.89 1.62 0.00 3.03 0.00 -1.26 -4.89 105.19 104.58 2kfy n GLY 79 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kfy n GLY 79 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfy n HIS 80 N 0.00 0.00 -3.69 1.61 8.25 -1.26 -5.11 115.22 115.02 2kfy n HIS 80 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2kfy n HIS 80 Cb 0.00 0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 2kfy n HIS 80 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2kfy s ARG 81 N 0.00 0.62 0.45 -0.41 6.06 -1.26 -5.16 118.95 119.26 2kfy s ARG 81 Ca 0.00 0.73 -0.24 0.00 -2.50 0.00 0.00 55.73 53.72 2kfy s ARG 81 Cb 0.00 0.30 -0.07 0.00 0.06 0.00 0.00 34.95 35.24 2kfy s ARG 81 CO 0.00 -0.08 1.23 -0.47 -2.50 0.00 0.00 175.30 173.49 2kfy s TYR 82 N 0.26 2.78 0.12 5.12 5.04 -1.26 -2.04 117.35 127.37 2kfy s TYR 82 Ca -0.00 1.48 0.04 0.00 -2.44 0.00 0.00 57.07 56.15 2kfy s TYR 82 Cb -0.04 -3.53 -0.04 0.00 0.35 0.00 0.00 41.96 38.71 2kfy s TYR 82 CO 0.01 -1.87 -0.10 0.42 -1.34 0.00 0.00 175.55 172.66 2kfy s ILE 83 N -1.41 1.03 -0.01 3.14 -1.09 0.27 -3.48 121.20 119.64 2kfy s ILE 83 Ca 0.63 -1.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.24 2kfy s ILE 83 Cb -0.33 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.97 2kfy s ILE 83 CO 0.41 -0.64 -0.06 -1.61 -1.23 0.00 0.00 174.94 171.81 2kfy s GLU 84 N -3.22 0.55 0.03 2.79 0.41 0.19 -3.75 118.70 115.70 2kfy s GLU 84 Ca 0.10 -0.20 0.01 0.00 -0.41 0.00 0.00 54.97 54.48 2kfy s GLU 84 Cb -0.00 -0.55 -0.02 0.00 -1.78 0.00 0.00 34.13 31.78 2kfy s GLU 84 CO -0.00 0.10 -0.05 0.08 -0.49 0.00 0.00 175.26 174.89 2kfy s VAL 85 N 0.04 0.33 0.06 2.63 1.01 -0.46 -1.39 120.40 122.62 2kfy s VAL 85 Ca -0.00 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 60.82 2kfy s VAL 85 Cb -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 36.38 35.95 2kfy s VAL 85 CO -0.00 -0.42 0.46 0.12 0.00 0.00 0.00 175.10 175.27 2kfy s PHE 86 N -1.36 -0.34 0.58 5.22 5.36 -1.11 -4.71 117.98 121.62 2kfy s PHE 86 Ca -0.12 0.31 -0.15 0.00 -0.96 0.00 0.00 56.93 56.00 2kfy s PHE 86 Cb -0.10 0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.83 2kfy s PHE 86 CO -0.00 -0.62 1.04 0.21 -1.46 0.00 0.00 175.22 174.38 2kfy s LYS 87 N -2.61 3.45 0.11 10.12 2.20 -1.26 -0.14 119.74 131.61 2kfy s LYS 87 Ca -0.04 1.11 0.01 0.00 -0.36 0.00 0.00 55.97 56.69 2kfy s LYS 87 Cb -0.01 -2.06 -0.00 0.00 -1.51 0.00 0.00 37.83 34.25 2kfy s LYS 87 CO -0.03 -0.69 0.12 0.45 -0.36 0.00 0.00 175.35 174.83 2kfy n SER 88 N -2.02 -0.31 0.00 1.43 2.88 -0.38 -4.53 113.62 110.69 2kfy n SER 88 Ca 0.08 -1.67 0.00 0.00 -1.33 0.00 0.00 58.87 55.95 2kfy n SER 88 Cb 0.53 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.64 2kfy n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kfy n HIS 89 N -0.20 -0.01 0.00 0.66 1.44 -1.26 -3.92 115.22 111.94 2kfy n HIS 89 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kfy n HIS 89 Cb 0.19 0.21 0.00 0.00 0.12 0.00 0.00 29.99 30.51 2kfy n HIS 89 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2kfy n ARG 90 N -1.92 0.00 -0.17 -1.40 1.85 -1.26 -3.93 116.66 109.83 2kfy n ARG 90 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 2kfy n ARG 90 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2kfy n ARG 90 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 2kfy h THR 91 N 0.00 1.27 -0.22 8.89 2.02 -1.97 -0.44 112.91 122.46 2kfy h THR 91 Ca 0.00 -1.20 -0.17 0.00 0.77 0.00 0.00 66.41 65.81 2kfy h THR 91 Cb 0.00 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 2kfy h THR 91 CO 0.00 0.42 -0.55 -0.08 0.37 0.00 0.00 175.52 175.67 2kfy h GLU 92 N 0.78 0.66 -0.47 6.66 4.81 -1.92 -2.83 114.58 122.26 2kfy h GLU 92 Ca 0.13 -0.42 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 2kfy h GLU 92 Cb 0.62 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 2kfy h GLU 92 CO 0.04 1.03 0.15 1.98 -0.73 0.00 0.00 179.01 181.48 2kfy h MET 93 N 0.50 0.70 0.00 1.92 4.05 -1.89 -1.75 114.93 118.46 2kfy h MET 93 Ca 0.01 -0.11 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 2kfy h MET 93 Cb 1.12 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.78 2kfy h MET 93 CO 0.11 0.61 -0.58 0.22 0.23 0.00 0.00 176.91 177.50 2kfy h ASP 94 N 0.68 0.00 0.07 1.39 3.58 -1.05 -3.26 116.42 117.83 2kfy h ASP 94 Ca 0.16 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 2kfy h ASP 94 Cb 0.20 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2kfy h ASP 94 CO -0.01 0.58 -0.03 -0.25 -2.88 0.00 0.00 179.24 176.65 2kfy h TRP 95 N 0.00 -0.09 0.00 0.28 7.01 -1.09 -3.37 115.95 118.70 2kfy h TRP 95 Ca -0.01 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.99 2kfy h TRP 95 Cb 1.19 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 28.28 2kfy h TRP 95 CO 0.00 -0.05 0.00 -0.24 -2.79 0.00 0.00 178.44 175.36 2kfy h VAL 96 N -0.58 0.00 0.00 2.65 3.04 -1.57 -0.91 116.25 118.87 2kfy h VAL 96 Ca -0.01 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.37 2kfy h VAL 96 Cb 0.07 1.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2kfy h VAL 96 CO 0.02 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.76 2kfy n LEU 97 N -2.69 0.00 -0.00 3.16 7.99 -1.23 -3.04 117.00 121.18 2kfy n LEU 97 Ca 0.01 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.50 2kfy n LEU 97 Cb 0.23 -0.50 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 2kfy n LEU 97 CO 0.22 -0.28 0.26 0.29 -1.51 0.00 0.00 177.39 176.38 2kfy n LYS 98 N -1.50 0.16 -0.76 3.23 5.02 -0.40 -4.84 118.16 119.07 2kfy n LYS 98 Ca 0.03 -0.56 0.01 0.00 -2.02 0.00 0.00 58.31 55.77 2kfy n LYS 98 Cb 0.15 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.64 2kfy n LYS 98 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2kfy n HIS 99 N -0.03 0.00 -1.63 2.13 8.25 -0.87 -5.09 115.22 117.98 2kfy n HIS 99 Ca 0.00 -0.14 -0.43 0.00 -0.26 0.00 0.00 57.72 56.89 2kfy n HIS 99 Cb 0.49 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.55 2kfy n HIS 99 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2kfy n SER 100 N 0.13 1.83 0.00 0.41 7.64 -1.17 -4.91 113.62 117.55 2kfy n SER 100 Ca 0.01 1.17 0.00 0.00 1.01 0.00 0.00 58.87 61.06 2kfy n SER 100 Cb 0.80 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 2kfy n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfy n GLY 101 N 1.05 -2.02 0.00 0.23 0.00 -1.26 -5.00 105.19 98.19 2kfy n GLY 101 Ca 0.08 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.01 2kfy n GLY 101 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77